Program PWSCF v.5.1.1 starts on 11Nov2015 at 12:50:26 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: ./LiYSi.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 104 104 28 3562 3562 516 Max 105 105 29 3565 3565 521 Sum 4993 4993 1381 171051 171051 24867 bravais-lattice index = 14 lattice parameter (alat) = 13.2848 a.u. unit-cell volume = 1215.9617 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.284774 celldm(2)= 1.000000 celldm(3)= 0.598862 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 0.598862 ) 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 1.669834 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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. # 3 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 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 [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 5 -6 -2 6 -5 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 -12 -11 11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0037736 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0037736 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0037736 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0037736 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0037736 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0037736 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0037736 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037736 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0037736 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0037736 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0037736 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0037736 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0037736 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0037736 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0037736 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0037736 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0037736 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0037736 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0037736 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0037736 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0037736 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0037736 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0037736 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0037736 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037736 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0037736 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0037736 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0037736 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037736 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0037736 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0037736 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0037736 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0037736 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0037736 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0037736 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0037736 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0037736 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0037736 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0037736 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0037736 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0037736 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0037736 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0037736 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0037736 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0037736 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0037736 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0037736 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037736 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0037736 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0037736 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0037736 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0037736 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0037736 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0037736 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0037736 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0037736 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0037736 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0037736 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0037736 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0037736 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0037736 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0037736 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 76) = ( 0.0000000 0.0000000 0.0219715), wk = 0.0037736 k( 77) = ( 0.0000000 0.0000000 0.0439430), wk = 0.0037736 k( 78) = ( 0.0000000 0.0000000 0.0659145), wk = 0.0037736 k( 79) = ( 0.0000000 0.0000000 0.0878860), wk = 0.0037736 k( 80) = ( 0.0000000 0.0000000 0.1098575), wk = 0.0037736 k( 81) = ( 0.0000000 0.0000000 0.1318290), wk = 0.0037736 k( 82) = ( 0.0000000 0.0000000 0.1538005), wk = 0.0037736 k( 83) = ( 0.0000000 0.0000000 0.1757720), wk = 0.0037736 k( 84) = ( 0.0000000 0.0000000 0.1977435), wk = 0.0037736 k( 85) = ( 0.0000000 0.0000000 0.2197150), wk = 0.0037736 k( 86) = ( 0.0000000 0.0000000 0.2416865), wk = 0.0037736 k( 87) = ( 0.0000000 0.0000000 0.2636580), wk = 0.0037736 k( 88) = ( 0.0000000 0.0000000 0.2856295), wk = 0.0037736 k( 89) = ( 0.0000000 0.0000000 0.3076010), wk = 0.0037736 k( 90) = ( 0.0000000 0.0000000 0.3295724), wk = 0.0037736 k( 91) = ( 0.0000000 0.0000000 0.3515440), wk = 0.0037736 k( 92) = ( 0.0000000 0.0000000 0.3735154), wk = 0.0037736 k( 93) = ( 0.0000000 0.0000000 0.3954869), wk = 0.0037736 k( 94) = ( 0.0000000 0.0000000 0.4174584), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.4394299), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.4614014), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.4833729), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.5053444), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.5273159), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.5492874), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.5712589), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.5932304), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.6152019), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.6371734), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.6591449), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.6811164), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.7030879), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.7250594), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.7470309), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.7690024), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.7909739), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.8129454), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.8349169), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.8349169), wk = 0.0037736 k( 115) = ( 0.0192308 0.0111029 0.8349169), wk = 0.0037736 k( 116) = ( 0.0384615 0.0222058 0.8349169), wk = 0.0037736 k( 117) = ( 0.0576923 0.0333087 0.8349169), wk = 0.0037736 k( 118) = ( 0.0769231 0.0444116 0.8349169), wk = 0.0037736 k( 119) = ( 0.0961538 0.0555145 0.8349169), wk = 0.0037736 k( 120) = ( 0.1153846 0.0666173 0.8349169), wk = 0.0037736 k( 121) = ( 0.1346154 0.0777202 0.8349169), wk = 0.0037736 k( 122) = ( 0.1538461 0.0888231 0.8349169), wk = 0.0037736 k( 123) = ( 0.1730769 0.0999260 0.8349169), wk = 0.0037736 k( 124) = ( 0.1923077 0.1110289 0.8349169), wk = 0.0037736 k( 125) = ( 0.2115385 0.1221318 0.8349169), wk = 0.0037736 k( 126) = ( 0.2307692 0.1332347 0.8349169), wk = 0.0037736 k( 127) = ( 0.2500000 0.1443376 0.8349169), wk = 0.0037736 k( 128) = ( 0.2692308 0.1554405 0.8349169), wk = 0.0037736 k( 129) = ( 0.2884615 0.1665433 0.8349169), wk = 0.0037736 k( 130) = ( 0.3076923 0.1776462 0.8349169), wk = 0.0037736 k( 131) = ( 0.3269231 0.1887491 0.8349169), wk = 0.0037736 k( 132) = ( 0.3461538 0.1998520 0.8349169), wk = 0.0037736 k( 133) = ( 0.3653846 0.2109549 0.8349169), wk = 0.0037736 k( 134) = ( 0.3846154 0.2220578 0.8349169), wk = 0.0037736 k( 135) = ( 0.4038462 0.2331607 0.8349169), wk = 0.0037736 k( 136) = ( 0.4230769 0.2442636 0.8349169), wk = 0.0037736 k( 137) = ( 0.4423077 0.2553665 0.8349169), wk = 0.0037736 k( 138) = ( 0.4615385 0.2664694 0.8349169), wk = 0.0037736 k( 139) = ( 0.4807692 0.2775722 0.8349169), wk = 0.0037736 k( 140) = ( 0.5000000 0.2886751 0.8349169), wk = 0.0037736 k( 141) = ( 0.5000000 0.2886751 0.8349169), wk = 0.0037736 k( 142) = ( 0.4888889 0.3079201 0.8349169), wk = 0.0037736 k( 143) = ( 0.4777778 0.3271651 0.8349169), wk = 0.0037736 k( 144) = ( 0.4666667 0.3464102 0.8349169), wk = 0.0037736 k( 145) = ( 0.4555556 0.3656552 0.8349169), wk = 0.0037736 k( 146) = ( 0.4444444 0.3849002 0.8349169), wk = 0.0037736 k( 147) = ( 0.4333333 0.4041452 0.8349169), wk = 0.0037736 k( 148) = ( 0.4222222 0.4233902 0.8349169), wk = 0.0037736 k( 149) = ( 0.4111111 0.4426352 0.8349169), wk = 0.0037736 k( 150) = ( 0.4000000 0.4618802 0.8349169), wk = 0.0037736 k( 151) = ( 0.3888889 0.4811252 0.8349169), wk = 0.0037736 k( 152) = ( 0.3777778 0.5003702 0.8349169), wk = 0.0037736 k( 153) = ( 0.3666667 0.5196152 0.8349169), wk = 0.0037736 k( 154) = ( 0.3555556 0.5388603 0.8349169), wk = 0.0037736 k( 155) = ( 0.3444444 0.5581053 0.8349169), wk = 0.0037736 k( 156) = ( 0.3333333 0.5773503 0.8349169), wk = 0.0037736 k( 157) = ( 0.3333333 0.5773503 0.8349169), wk = 0.0037736 k( 158) = ( 0.3222222 0.5581053 0.8349169), wk = 0.0037736 k( 159) = ( 0.3111111 0.5388602 0.8349169), wk = 0.0037736 k( 160) = ( 0.3000000 0.5196152 0.8349169), wk = 0.0037736 k( 161) = ( 0.2888889 0.5003702 0.8349169), wk = 0.0037736 k( 162) = ( 0.2777778 0.4811252 0.8349169), wk = 0.0037736 k( 163) = ( 0.2666667 0.4618802 0.8349169), wk = 0.0037736 k( 164) = ( 0.2555556 0.4426352 0.8349169), wk = 0.0037736 k( 165) = ( 0.2444444 0.4233902 0.8349169), wk = 0.0037736 k( 166) = ( 0.2333333 0.4041452 0.8349169), wk = 0.0037736 k( 167) = ( 0.2222222 0.3849002 0.8349169), wk = 0.0037736 k( 168) = ( 0.2111111 0.3656552 0.8349169), wk = 0.0037736 k( 169) = ( 0.2000000 0.3464102 0.8349169), wk = 0.0037736 k( 170) = ( 0.1888889 0.3271652 0.8349169), wk = 0.0037736 k( 171) = ( 0.1777778 0.3079201 0.8349169), wk = 0.0037736 k( 172) = ( 0.1666667 0.2886751 0.8349169), wk = 0.0037736 k( 173) = ( 0.1555556 0.2694301 0.8349169), wk = 0.0037736 k( 174) = ( 0.1444444 0.2501851 0.8349169), wk = 0.0037736 k( 175) = ( 0.1333333 0.2309401 0.8349169), wk = 0.0037736 k( 176) = ( 0.1222222 0.2116951 0.8349169), wk = 0.0037736 k( 177) = ( 0.1111111 0.1924501 0.8349169), wk = 0.0037736 k( 178) = ( 0.1000000 0.1732051 0.8349169), wk = 0.0037736 k( 179) = ( 0.0888889 0.1539601 0.8349169), wk = 0.0037736 k( 180) = ( 0.0777778 0.1347151 0.8349169), wk = 0.0037736 k( 181) = ( 0.0666667 0.1154701 0.8349169), wk = 0.0037736 k( 182) = ( 0.0555556 0.0962251 0.8349169), wk = 0.0037736 k( 183) = ( 0.0444444 0.0769800 0.8349169), wk = 0.0037736 k( 184) = ( 0.0333333 0.0577350 0.8349169), wk = 0.0037736 k( 185) = ( 0.0222222 0.0384900 0.8349169), wk = 0.0037736 k( 186) = ( 0.0111111 0.0192450 0.8349169), wk = 0.0037736 k( 187) = ( 0.0000000 0.0000000 0.8349169), wk = 0.0037736 k( 188) = ( 0.5000000 0.2886751 0.8349169), wk = 0.0037736 k( 189) = ( 0.5000000 0.2886751 0.8129454), wk = 0.0037736 k( 190) = ( 0.5000000 0.2886751 0.7909739), wk = 0.0037736 k( 191) = ( 0.5000000 0.2886751 0.7690024), wk = 0.0037736 k( 192) = ( 0.5000000 0.2886751 0.7470309), wk = 0.0037736 k( 193) = ( 0.5000000 0.2886751 0.7250594), wk = 0.0037736 k( 194) = ( 0.5000000 0.2886751 0.7030879), wk = 0.0037736 k( 195) = ( 0.5000000 0.2886751 0.6811164), wk = 0.0037736 k( 196) = ( 0.5000000 0.2886751 0.6591449), wk = 0.0037736 k( 197) = ( 0.5000000 0.2886751 0.6371734), wk = 0.0037736 k( 198) = ( 0.5000000 0.2886751 0.6152019), wk = 0.0037736 k( 199) = ( 0.5000000 0.2886751 0.5932304), wk = 0.0037736 k( 200) = ( 0.5000000 0.2886751 0.5712589), wk = 0.0037736 k( 201) = ( 0.5000000 0.2886751 0.5492874), wk = 0.0037736 k( 202) = ( 0.5000000 0.2886751 0.5273159), wk = 0.0037736 k( 203) = ( 0.5000000 0.2886751 0.5053444), wk = 0.0037736 k( 204) = ( 0.5000000 0.2886751 0.4833729), wk = 0.0037736 k( 205) = ( 0.5000000 0.2886751 0.4614014), wk = 0.0037736 k( 206) = ( 0.5000000 0.2886751 0.4394299), wk = 0.0037736 k( 207) = ( 0.5000000 0.2886751 0.4174584), wk = 0.0037736 k( 208) = ( 0.5000000 0.2886751 0.3954869), wk = 0.0037736 k( 209) = ( 0.5000000 0.2886751 0.3735154), wk = 0.0037736 k( 210) = ( 0.5000000 0.2886751 0.3515440), wk = 0.0037736 k( 211) = ( 0.5000000 0.2886751 0.3295724), wk = 0.0037736 k( 212) = ( 0.5000000 0.2886751 0.3076010), wk = 0.0037736 k( 213) = ( 0.5000000 0.2886751 0.2856295), wk = 0.0037736 k( 214) = ( 0.5000000 0.2886751 0.2636580), wk = 0.0037736 k( 215) = ( 0.5000000 0.2886751 0.2416865), wk = 0.0037736 k( 216) = ( 0.5000000 0.2886751 0.2197150), wk = 0.0037736 k( 217) = ( 0.5000000 0.2886751 0.1977435), wk = 0.0037736 k( 218) = ( 0.5000000 0.2886751 0.1757720), wk = 0.0037736 k( 219) = ( 0.5000000 0.2886751 0.1538005), wk = 0.0037736 k( 220) = ( 0.5000000 0.2886751 0.1318290), wk = 0.0037736 k( 221) = ( 0.5000000 0.2886751 0.1098575), wk = 0.0037736 k( 222) = ( 0.5000000 0.2886751 0.0878860), wk = 0.0037736 k( 223) = ( 0.5000000 0.2886751 0.0659145), wk = 0.0037736 k( 224) = ( 0.5000000 0.2886751 0.0439430), wk = 0.0037736 k( 225) = ( 0.5000000 0.2886751 0.0219715), wk = 0.0037736 k( 226) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037736 k( 227) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037736 k( 228) = ( 0.3333333 0.5773503 0.0219715), wk = 0.0037736 k( 229) = ( 0.3333333 0.5773503 0.0439430), wk = 0.0037736 k( 230) = ( 0.3333333 0.5773503 0.0659145), wk = 0.0037736 k( 231) = ( 0.3333333 0.5773503 0.0878860), wk = 0.0037736 k( 232) = ( 0.3333333 0.5773503 0.1098575), wk = 0.0037736 k( 233) = ( 0.3333333 0.5773503 0.1318290), wk = 0.0037736 k( 234) = ( 0.3333333 0.5773503 0.1538005), wk = 0.0037736 k( 235) = ( 0.3333333 0.5773503 0.1757720), wk = 0.0037736 k( 236) = ( 0.3333333 0.5773503 0.1977435), wk = 0.0037736 k( 237) = ( 0.3333333 0.5773503 0.2197150), wk = 0.0037736 k( 238) = ( 0.3333333 0.5773503 0.2416865), wk = 0.0037736 k( 239) = ( 0.3333333 0.5773503 0.2636580), wk = 0.0037736 k( 240) = ( 0.3333333 0.5773503 0.2856295), wk = 0.0037736 k( 241) = ( 0.3333333 0.5773503 0.3076010), wk = 0.0037736 k( 242) = ( 0.3333333 0.5773503 0.3295724), wk = 0.0037736 k( 243) = ( 0.3333333 0.5773503 0.3515440), wk = 0.0037736 k( 244) = ( 0.3333333 0.5773503 0.3735154), wk = 0.0037736 k( 245) = ( 0.3333333 0.5773503 0.3954869), wk = 0.0037736 k( 246) = ( 0.3333333 0.5773503 0.4174584), wk = 0.0037736 k( 247) = ( 0.3333333 0.5773503 0.4394299), wk = 0.0037736 k( 248) = ( 0.3333333 0.5773503 0.4614014), wk = 0.0037736 k( 249) = ( 0.3333333 0.5773503 0.4833729), wk = 0.0037736 k( 250) = ( 0.3333333 0.5773503 0.5053444), wk = 0.0037736 k( 251) = ( 0.3333333 0.5773503 0.5273159), wk = 0.0037736 k( 252) = ( 0.3333333 0.5773503 0.5492874), wk = 0.0037736 k( 253) = ( 0.3333333 0.5773503 0.5712589), wk = 0.0037736 k( 254) = ( 0.3333333 0.5773503 0.5932304), wk = 0.0037736 k( 255) = ( 0.3333333 0.5773503 0.6152019), wk = 0.0037736 k( 256) = ( 0.3333333 0.5773503 0.6371734), wk = 0.0037736 k( 257) = ( 0.3333333 0.5773503 0.6591449), wk = 0.0037736 k( 258) = ( 0.3333333 0.5773503 0.6811164), wk = 0.0037736 k( 259) = ( 0.3333333 0.5773503 0.7030879), wk = 0.0037736 k( 260) = ( 0.3333333 0.5773503 0.7250594), wk = 0.0037736 k( 261) = ( 0.3333333 0.5773503 0.7470309), wk = 0.0037736 k( 262) = ( 0.3333333 0.5773503 0.7690024), wk = 0.0037736 k( 263) = ( 0.3333333 0.5773503 0.7909739), wk = 0.0037736 k( 264) = ( 0.3333333 0.5773503 0.8129454), wk = 0.0037736 k( 265) = ( 0.3333333 0.5773503 0.8349169), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0037736 k( 3) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0037736 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0037736 k( 5) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0037736 k( 6) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0037736 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0037736 k( 8) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0037736 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0037736 k( 11) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0037736 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0037736 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0037736 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037736 k( 15) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0037736 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0037736 k( 19) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0037736 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0037736 k( 21) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0037736 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0037736 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0037736 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0037736 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0037736 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0037736 k( 30) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0037736 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0037736 k( 32) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0037736 k( 33) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0037736 k( 34) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0037736 k( 36) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0037736 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0037736 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0037736 k( 39) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0037736 k( 40) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0037736 k( 41) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0037736 k( 42) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0037736 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 44) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 45) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0037736 k( 46) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0037736 k( 47) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0037736 k( 48) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0037736 k( 49) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0037736 k( 50) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0037736 k( 51) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0037736 k( 52) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0037736 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0037736 k( 54) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0037736 k( 55) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0037736 k( 56) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0037736 k( 57) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0037736 k( 58) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0037736 k( 59) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0037736 k( 60) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0037736 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0037736 k( 62) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0037736 k( 63) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0037736 k( 64) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0037736 k( 65) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0037736 k( 66) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0037736 k( 67) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0037736 k( 68) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0037736 k( 69) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0037736 k( 70) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0037736 k( 71) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0037736 k( 72) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0037736 k( 73) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0037736 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 76) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0037736 k( 77) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037736 k( 78) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0037736 k( 79) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037736 k( 80) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0037736 k( 81) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037736 k( 82) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0037736 k( 83) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037736 k( 84) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0037736 k( 85) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0037736 k( 86) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0037736 k( 87) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037736 k( 88) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0037736 k( 89) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037736 k( 90) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0037736 k( 91) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037736 k( 92) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0037736 k( 93) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037736 k( 94) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 115) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0037736 k( 116) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0037736 k( 117) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0037736 k( 118) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0037736 k( 119) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0037736 k( 120) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0037736 k( 121) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0037736 k( 122) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0037736 k( 123) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0037736 k( 124) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0037736 k( 125) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0037736 k( 126) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0037736 k( 127) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037736 k( 128) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0037736 k( 129) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0037736 k( 130) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0037736 k( 131) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0037736 k( 132) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0037736 k( 133) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0037736 k( 134) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0037736 k( 135) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0037736 k( 136) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0037736 k( 137) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0037736 k( 138) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0037736 k( 139) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0037736 k( 140) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 k( 141) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 k( 142) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0037736 k( 143) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0037736 k( 144) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0037736 k( 145) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0037736 k( 146) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037736 k( 147) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0037736 k( 148) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0037736 k( 149) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0037736 k( 150) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0037736 k( 151) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037736 k( 152) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0037736 k( 153) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0037736 k( 154) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0037736 k( 155) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0037736 k( 156) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 k( 157) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 k( 158) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0037736 k( 159) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0037736 k( 160) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0037736 k( 161) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0037736 k( 162) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0037736 k( 163) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0037736 k( 164) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0037736 k( 165) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0037736 k( 166) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0037736 k( 167) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0037736 k( 168) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0037736 k( 169) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0037736 k( 170) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0037736 k( 171) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0037736 k( 172) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037736 k( 173) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0037736 k( 174) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0037736 k( 175) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0037736 k( 176) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0037736 k( 177) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0037736 k( 178) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0037736 k( 179) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0037736 k( 180) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0037736 k( 181) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0037736 k( 182) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0037736 k( 183) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0037736 k( 184) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0037736 k( 185) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0037736 k( 186) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0037736 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 k( 189) = ( 0.5000000 0.0000000 0.4868421), wk = 0.0037736 k( 190) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0037736 k( 191) = ( 0.5000000 0.0000000 0.4605263), wk = 0.0037736 k( 192) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0037736 k( 193) = ( 0.5000000 0.0000000 0.4342105), wk = 0.0037736 k( 194) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0037736 k( 195) = ( 0.5000000 0.0000000 0.4078947), wk = 0.0037736 k( 196) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0037736 k( 197) = ( 0.5000000 0.0000000 0.3815789), wk = 0.0037736 k( 198) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0037736 k( 199) = ( 0.5000000 0.0000000 0.3552632), wk = 0.0037736 k( 200) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0037736 k( 201) = ( 0.5000000 0.0000000 0.3289474), wk = 0.0037736 k( 202) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0037736 k( 203) = ( 0.5000000 0.0000000 0.3026316), wk = 0.0037736 k( 204) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0037736 k( 205) = ( 0.5000000 0.0000000 0.2763158), wk = 0.0037736 k( 206) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0037736 k( 207) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0037736 k( 208) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0037736 k( 209) = ( 0.5000000 0.0000000 0.2236842), wk = 0.0037736 k( 210) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0037736 k( 211) = ( 0.5000000 0.0000000 0.1973684), wk = 0.0037736 k( 212) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0037736 k( 213) = ( 0.5000000 0.0000000 0.1710526), wk = 0.0037736 k( 214) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0037736 k( 215) = ( 0.5000000 0.0000000 0.1447368), wk = 0.0037736 k( 216) = ( 0.5000000 0.0000000 0.1315789), wk = 0.0037736 k( 217) = ( 0.5000000 0.0000000 0.1184210), wk = 0.0037736 k( 218) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0037736 k( 219) = ( 0.5000000 0.0000000 0.0921053), wk = 0.0037736 k( 220) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0037736 k( 221) = ( 0.5000000 0.0000000 0.0657895), wk = 0.0037736 k( 222) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0037736 k( 223) = ( 0.5000000 0.0000000 0.0394737), wk = 0.0037736 k( 224) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0037736 k( 225) = ( 0.5000000 0.0000000 0.0131579), wk = 0.0037736 k( 226) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 227) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037736 k( 228) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0037736 k( 229) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0037736 k( 230) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0037736 k( 231) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0037736 k( 232) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0037736 k( 233) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0037736 k( 234) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0037736 k( 235) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0037736 k( 236) = ( 0.3333333 0.3333333 0.1184210), wk = 0.0037736 k( 237) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0037736 k( 238) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0037736 k( 239) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0037736 k( 240) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0037736 k( 241) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0037736 k( 242) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0037736 k( 243) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0037736 k( 244) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0037736 k( 245) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0037736 k( 246) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0037736 k( 247) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0037736 k( 248) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0037736 k( 249) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0037736 k( 250) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0037736 k( 251) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0037736 k( 252) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0037736 k( 253) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0037736 k( 254) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0037736 k( 255) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0037736 k( 256) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0037736 k( 257) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0037736 k( 258) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0037736 k( 259) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0037736 k( 260) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0037736 k( 261) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0037736 k( 262) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0037736 k( 263) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0037736 k( 264) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0037736 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037736 Dense grid: 171051 G-vectors FFT dimensions: ( 90, 90, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.90 Mb ( 924, 64) NL pseudopotentials 1.73 Mb ( 462, 246) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3564) G-vector shells 0.01 Mb ( 1516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.61 Mb ( 924, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.48 Mb ( 246, 2, 64) The potential is recalculated from file : ./LiYSi.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.9 secs Computing kpt #: 2 total cpu time spent up to now is 53.6 secs Computing kpt #: 3 total cpu time spent up to now is 59.5 secs Computing kpt #: 4 total cpu time spent up to now is 65.4 secs Computing kpt #: 5 total cpu time spent up to now is 71.6 secs Computing kpt #: 6 total cpu time spent up to now is 77.6 secs Computing kpt #: 7 total cpu time spent up to now is 83.5 secs Computing kpt #: 8 total cpu time spent up to now is 89.3 secs Computing kpt #: 9 total cpu time spent up to now is 95.3 secs Computing kpt #: 10 total cpu time spent up to now is 101.5 secs Computing kpt #: 11 total cpu time spent up to now is 107.4 secs Computing kpt #: 12 total cpu time spent up to now is 114.0 secs Computing kpt #: 13 total cpu time spent up to now is 121.7 secs Computing kpt #: 14 total cpu time spent up to now is 129.5 secs Computing kpt #: 15 total cpu time spent up to now is 136.0 secs Computing kpt #: 16 total cpu time spent up to now is 142.6 secs Computing kpt #: 17 total cpu time spent up to now is 149.4 secs Computing kpt #: 18 total cpu time spent up to now is 156.9 secs Computing kpt #: 19 total cpu time spent up to now is 163.8 secs Computing kpt #: 20 total cpu time spent up to now is 170.5 secs Computing kpt #: 21 total cpu time spent up to now is 177.7 secs Computing kpt #: 22 total cpu time spent up to now is 184.6 secs Computing kpt #: 23 total cpu time spent up to now is 192.2 secs Computing kpt #: 24 total cpu time spent up to now is 199.3 secs Computing kpt #: 25 total cpu time spent up to now is 206.0 secs Computing kpt #: 26 total cpu time spent up to now is 212.8 secs Computing kpt #: 27 total cpu time spent up to now is 219.6 secs Computing kpt #: 28 total cpu time spent up to now is 226.9 secs Computing kpt #: 29 total cpu time spent up to now is 233.6 secs Computing kpt #: 30 total cpu time spent up to now is 240.3 secs Computing kpt #: 31 total cpu time spent up to now is 247.0 secs Computing kpt #: 32 total cpu time spent up to now is 254.0 secs Computing kpt #: 33 total cpu time spent up to now is 260.8 secs Computing kpt #: 34 total cpu time spent up to now is 267.8 secs Computing kpt #: 35 total cpu time spent up to now is 274.5 secs Computing kpt #: 36 total cpu time spent up to now is 281.9 secs Computing kpt #: 37 total cpu time spent up to now is 289.2 secs Computing kpt #: 38 total cpu time spent up to now is 295.9 secs Computing kpt #: 39 total cpu time spent up to now is 303.0 secs Computing kpt #: 40 total cpu time spent up to now is 310.2 secs Computing kpt #: 41 total cpu time spent up to now is 318.3 secs Computing kpt #: 42 total cpu time spent up to now is 325.6 secs Computing kpt #: 43 total cpu time spent up to now is 332.9 secs Computing kpt #: 44 total cpu time spent up to now is 340.0 secs Computing kpt #: 45 total cpu time spent up to now is 347.9 secs Computing kpt #: 46 total cpu time spent up to now is 355.5 secs Computing kpt #: 47 total cpu time spent up to now is 362.9 secs Computing kpt #: 48 total cpu time spent up to now is 370.1 secs Computing kpt #: 49 total cpu time spent up to now is 379.1 secs Computing kpt #: 50 total cpu time spent up to now is 387.5 secs Computing kpt #: 51 total cpu time spent up to now is 395.5 secs Computing kpt #: 52 total cpu time spent up to now is 402.2 secs Computing kpt #: 53 total cpu time spent up to now is 409.1 secs Computing kpt #: 54 total cpu time spent up to now is 415.8 secs Computing kpt #: 55 total cpu time spent up to now is 425.6 secs Computing kpt #: 56 total cpu time spent up to now is 432.1 secs Computing kpt #: 57 total cpu time spent up to now is 439.6 secs Computing kpt #: 58 total cpu time spent up to now is 445.7 secs Computing kpt #: 59 total cpu time spent up to now is 452.0 secs Computing kpt #: 60 total cpu time spent up to now is 457.9 secs Computing kpt #: 61 total cpu time spent up to now is 464.3 secs Computing kpt #: 62 total cpu time spent up to now is 470.4 secs Computing kpt #: 63 total cpu time spent up to now is 476.4 secs Computing kpt #: 64 total cpu time spent up to now is 482.4 secs Computing kpt #: 65 total cpu time spent up to now is 488.2 secs Computing kpt #: 66 total cpu time spent up to now is 494.0 secs Computing kpt #: 67 total cpu time spent up to now is 500.2 secs Computing kpt #: 68 total cpu time spent up to now is 506.5 secs Computing kpt #: 69 total cpu time spent up to now is 512.8 secs Computing kpt #: 70 total cpu time spent up to now is 518.8 secs Computing kpt #: 71 total cpu time spent up to now is 524.9 secs Computing kpt #: 72 total cpu time spent up to now is 531.8 secs Computing kpt #: 73 total cpu time spent up to now is 538.9 secs Computing kpt #: 74 total cpu time spent up to now is 545.4 secs Computing kpt #: 75 total cpu time spent up to now is 551.2 secs Computing kpt #: 76 total cpu time spent up to now is 557.5 secs Computing kpt #: 77 total cpu time spent up to now is 563.8 secs Computing kpt #: 78 total cpu time spent up to now is 570.3 secs Computing kpt #: 79 total cpu time spent up to now is 576.3 secs Computing kpt #: 80 total cpu time spent up to now is 582.5 secs Computing kpt #: 81 total cpu time spent up to now is 588.9 secs Computing kpt #: 82 total cpu time spent up to now is 595.2 secs Computing kpt #: 83 total cpu time spent up to now is 601.3 secs Computing kpt #: 84 total cpu time spent up to now is 607.1 secs Computing kpt #: 85 total cpu time spent up to now is 613.3 secs Computing kpt #: 86 total cpu time spent up to now is 619.5 secs Computing kpt #: 87 total cpu time spent up to now is 625.9 secs Computing kpt #: 88 total cpu time spent up to now is 631.8 secs Computing kpt #: 89 total cpu time spent up to now is 637.8 secs Computing kpt #: 90 total cpu time spent up to now is 644.2 secs Computing kpt #: 91 total cpu time spent up to now is 650.8 secs Computing kpt #: 92 total cpu time spent up to now is 657.3 secs Computing kpt #: 93 total cpu time spent up to now is 663.7 secs Computing kpt #: 94 total cpu time spent up to now is 670.4 secs Computing kpt #: 95 total cpu time spent up to now is 677.8 secs Computing kpt #: 96 total cpu time spent up to now is 685.1 secs Computing kpt #: 97 total cpu time spent up to now is 692.5 secs Computing kpt #: 98 total cpu time spent up to now is 699.7 secs Computing kpt #: 99 total cpu time spent up to now is 707.4 secs Computing kpt #: 100 total cpu time spent up to now is 716.3 secs Computing kpt #: 101 total cpu time spent up to now is 727.0 secs Computing kpt #: 102 total cpu time spent up to now is 739.6 secs Computing kpt #: 103 total cpu time spent up to now is 746.8 secs Computing kpt #: 104 total cpu time spent up to now is 755.7 secs Computing kpt #: 105 total cpu time spent up to now is 763.8 secs Computing kpt #: 106 total cpu time spent up to now is 771.2 secs Computing kpt #: 107 total cpu time spent up to now is 778.4 secs Computing kpt #: 108 total cpu time spent up to now is 785.7 secs Computing kpt #: 109 total cpu time spent up to now is 792.8 secs Computing kpt #: 110 total cpu time spent up to now is 800.2 secs Computing kpt #: 111 total cpu time spent up to now is 807.4 secs Computing kpt #: 112 total cpu time spent up to now is 814.5 secs Computing kpt #: 113 total cpu time spent up to now is 821.5 secs Computing kpt #: 114 total cpu time spent up to now is 828.7 secs Computing kpt #: 115 total cpu time spent up to now is 836.1 secs Computing kpt #: 116 total cpu time spent up to now is 842.9 secs Computing kpt #: 117 total cpu time spent up to now is 850.1 secs Computing kpt #: 118 total cpu time spent up to now is 857.2 secs Computing kpt #: 119 total cpu time spent up to now is 864.1 secs Computing kpt #: 120 total cpu time spent up to now is 871.3 secs Computing kpt #: 121 total cpu time spent up to now is 879.3 secs Computing kpt #: 122 total cpu time spent up to now is 888.1 secs Computing kpt #: 123 total cpu time spent up to now is 895.5 secs Computing kpt #: 124 total cpu time spent up to now is 902.5 secs Computing kpt #: 125 total cpu time spent up to now is 909.8 secs Computing kpt #: 126 total cpu time spent up to now is 917.7 secs Computing kpt #: 127 total cpu time spent up to now is 924.9 secs Computing kpt #: 128 total cpu time spent up to now is 931.7 secs Computing kpt #: 129 total cpu time spent up to now is 938.5 secs Computing kpt #: 130 total cpu time spent up to now is 945.4 secs Computing kpt #: 131 total cpu time spent up to now is 952.1 secs Computing kpt #: 132 total cpu time spent up to now is 959.5 secs Computing kpt #: 133 total cpu time spent up to now is 965.7 secs Computing kpt #: 134 total cpu time spent up to now is 971.8 secs Computing kpt #: 135 total cpu time spent up to now is 978.3 secs Computing kpt #: 136 total cpu time spent up to now is 985.4 secs Computing kpt #: 137 total cpu time spent up to now is 992.7 secs Computing kpt #: 138 total cpu time spent up to now is 998.9 secs Computing kpt #: 139 total cpu time spent up to now is 1006.4 secs Computing kpt #: 140 total cpu time spent up to now is 1013.2 secs Computing kpt #: 141 total cpu time spent up to now is 1021.1 secs Computing kpt #: 142 total cpu time spent up to now is 1028.3 secs Computing kpt #: 143 total cpu time spent up to now is 1035.6 secs Computing kpt #: 144 total cpu time spent up to now is 1042.5 secs Computing kpt #: 145 total cpu time spent up to now is 1050.6 secs Computing kpt #: 146 total cpu time spent up to now is 1057.5 secs Computing kpt #: 147 total cpu time spent up to now is 1064.2 secs Computing kpt #: 148 total cpu time spent up to now is 1071.1 secs Computing kpt #: 149 total cpu time spent up to now is 1078.1 secs Computing kpt #: 150 total cpu time spent up to now is 1085.7 secs Computing kpt #: 151 total cpu time spent up to now is 1092.8 secs Computing kpt #: 152 total cpu time spent up to now is 1100.2 secs Computing kpt #: 153 total cpu time spent up to now is 1107.1 secs Computing kpt #: 154 total cpu time spent up to now is 1114.8 secs Computing kpt #: 155 total cpu time spent up to now is 1121.9 secs Computing kpt #: 156 total cpu time spent up to now is 1129.1 secs Computing kpt #: 157 total cpu time spent up to now is 1136.0 secs Computing kpt #: 158 total cpu time spent up to now is 1143.9 secs Computing kpt #: 159 total cpu time spent up to now is 1151.4 secs Computing kpt #: 160 total cpu time spent up to now is 1158.7 secs Computing kpt #: 161 total cpu time spent up to now is 1165.7 secs Computing kpt #: 162 total cpu time spent up to now is 1172.7 secs Computing kpt #: 163 total cpu time spent up to now is 1180.1 secs Computing kpt #: 164 total cpu time spent up to now is 1187.4 secs Computing kpt #: 165 total cpu time spent up to now is 1194.5 secs Computing kpt #: 166 total cpu time spent up to now is 1201.4 secs Computing kpt #: 167 total cpu time spent up to now is 1208.6 secs Computing kpt #: 168 total cpu time spent up to now is 1216.2 secs Computing kpt #: 169 total cpu time spent up to now is 1223.3 secs Computing kpt #: 170 total cpu time spent up to now is 1230.4 secs Computing kpt #: 171 total cpu time spent up to now is 1237.4 secs Computing kpt #: 172 total cpu time spent up to now is 1245.0 secs Computing kpt #: 173 total cpu time spent up to now is 1252.0 secs Computing kpt #: 174 total cpu time spent up to now is 1259.2 secs Computing kpt #: 175 total cpu time spent up to now is 1266.2 secs Computing kpt #: 176 total cpu time spent up to now is 1273.0 secs Computing kpt #: 177 total cpu time spent up to now is 1280.4 secs Computing kpt #: 178 total cpu time spent up to now is 1287.4 secs Computing kpt #: 179 total cpu time spent up to now is 1294.6 secs Computing kpt #: 180 total cpu time spent up to now is 1301.4 secs Computing kpt #: 181 total cpu time spent up to now is 1308.4 secs Computing kpt #: 182 total cpu time spent up to now is 1315.6 secs Computing kpt #: 183 total cpu time spent up to now is 1323.7 secs Computing kpt #: 184 total cpu time spent up to now is 1330.6 secs Computing kpt #: 185 total cpu time spent up to now is 1337.3 secs Computing kpt #: 186 total cpu time spent up to now is 1344.2 secs Computing kpt #: 187 total cpu time spent up to now is 1351.1 secs Computing kpt #: 188 total cpu time spent up to now is 1357.1 secs Computing kpt #: 189 total cpu time spent up to now is 1363.7 secs Computing kpt #: 190 total cpu time spent up to now is 1369.8 secs Computing kpt #: 191 total cpu time spent up to now is 1375.8 secs Computing kpt #: 192 total cpu time spent up to now is 1382.4 secs Computing kpt #: 193 total cpu time spent up to now is 1389.1 secs Computing kpt #: 194 total cpu time spent up to now is 1395.7 secs Computing kpt #: 195 total cpu time spent up to now is 1402.3 secs Computing kpt #: 196 total cpu time spent up to now is 1408.9 secs Computing kpt #: 197 total cpu time spent up to now is 1415.6 secs Computing kpt #: 198 total cpu time spent up to now is 1422.4 secs Computing kpt #: 199 total cpu time spent up to now is 1429.4 secs Computing kpt #: 200 total cpu time spent up to now is 1439.5 secs Computing kpt #: 201 total cpu time spent up to now is 1447.6 secs Computing kpt #: 202 total cpu time spent up to now is 1455.0 secs Computing kpt #: 203 total cpu time spent up to now is 1461.9 secs Computing kpt #: 204 total cpu time spent up to now is 1468.8 secs Computing kpt #: 205 total cpu time spent up to now is 1476.5 secs Computing kpt #: 206 total cpu time spent up to now is 1483.4 secs Computing kpt #: 207 total cpu time spent up to now is 1490.5 secs Computing kpt #: 208 total cpu time spent up to now is 1497.4 secs Computing kpt #: 209 total cpu time spent up to now is 1504.1 secs Computing kpt #: 210 total cpu time spent up to now is 1511.0 secs Computing kpt #: 211 total cpu time spent up to now is 1518.1 secs Computing kpt #: 212 total cpu time spent up to now is 1525.0 secs Computing kpt #: 213 total cpu time spent up to now is 1531.9 secs Computing kpt #: 214 total cpu time spent up to now is 1538.9 secs Computing kpt #: 215 total cpu time spent up to now is 1545.9 secs Computing kpt #: 216 total cpu time spent up to now is 1552.6 secs Computing kpt #: 217 total cpu time spent up to now is 1559.4 secs Computing kpt #: 218 total cpu time spent up to now is 1566.5 secs Computing kpt #: 219 total cpu time spent up to now is 1573.2 secs Computing kpt #: 220 total cpu time spent up to now is 1580.3 secs Computing kpt #: 221 total cpu time spent up to now is 1587.2 secs Computing kpt #: 222 total cpu time spent up to now is 1593.9 secs Computing kpt #: 223 total cpu time spent up to now is 1600.7 secs Computing kpt #: 224 total cpu time spent up to now is 1607.4 secs Computing kpt #: 225 total cpu time spent up to now is 1614.2 secs Computing kpt #: 226 total cpu time spent up to now is 1622.2 secs Computing kpt #: 227 total cpu time spent up to now is 1629.2 secs Computing kpt #: 228 total cpu time spent up to now is 1636.3 secs Computing kpt #: 229 total cpu time spent up to now is 1643.8 secs Computing kpt #: 230 total cpu time spent up to now is 1652.1 secs Computing kpt #: 231 total cpu time spent up to now is 1663.0 secs Computing kpt #: 232 total cpu time spent up to now is 1673.5 secs Computing kpt #: 233 total cpu time spent up to now is 1685.4 secs Computing kpt #: 234 total cpu time spent up to now is 1698.4 secs Computing kpt #: 235 total cpu time spent up to now is 1708.3 secs Computing kpt #: 236 total cpu time spent up to now is 1720.6 secs Computing kpt #: 237 total cpu time spent up to now is 1730.6 secs Computing kpt #: 238 total cpu time spent up to now is 1742.0 secs Computing kpt #: 239 total cpu time spent up to now is 1751.8 secs Computing kpt #: 240 total cpu time spent up to now is 1760.6 secs Computing kpt #: 241 total cpu time spent up to now is 1770.4 secs Computing kpt #: 242 total cpu time spent up to now is 1779.4 secs Computing kpt #: 243 total cpu time spent up to now is 1788.0 secs Computing kpt #: 244 total cpu time spent up to now is 1796.7 secs Computing kpt #: 245 total cpu time spent up to now is 1805.8 secs Computing kpt #: 246 total cpu time spent up to now is 1813.8 secs Computing kpt #: 247 total cpu time spent up to now is 1821.8 secs Computing kpt #: 248 total cpu time spent up to now is 1829.1 secs Computing kpt #: 249 total cpu time spent up to now is 1836.2 secs Computing kpt #: 250 total cpu time spent up to now is 1845.1 secs Computing kpt #: 251 total cpu time spent up to now is 1852.0 secs Computing kpt #: 252 total cpu time spent up to now is 1858.9 secs Computing kpt #: 253 total cpu time spent up to now is 1865.8 secs Computing kpt #: 254 total cpu time spent up to now is 1873.3 secs Computing kpt #: 255 total cpu time spent up to now is 1880.3 secs Computing kpt #: 256 total cpu time spent up to now is 1887.0 secs Computing kpt #: 257 total cpu time spent up to now is 1893.9 secs Computing kpt #: 258 total cpu time spent up to now is 1900.9 secs Computing kpt #: 259 total cpu time spent up to now is 1908.4 secs Computing kpt #: 260 total cpu time spent up to now is 1918.1 secs Computing kpt #: 261 total cpu time spent up to now is 1925.1 secs Computing kpt #: 262 total cpu time spent up to now is 1932.2 secs Computing kpt #: 263 total cpu time spent up to now is 1939.6 secs Computing kpt #: 264 total cpu time spent up to now is 1946.8 secs Computing kpt #: 265 total cpu time spent up to now is 1953.7 secs ethr = 1.85E-11, avg # of iterations = 28.1 total cpu time spent up to now is 1953.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21505 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6941 -15.6941 -15.5980 -15.5980 -14.3497 -14.3497 -14.3371 -14.3371 -14.2255 -14.2255 -14.1772 -14.1772 -14.1414 -14.1414 -14.0834 -14.0834 -0.3060 -0.3060 0.9750 0.9750 1.6052 1.6052 4.7708 4.7708 4.7783 4.7783 5.8270 5.8270 5.8781 5.8781 6.2796 6.2796 7.3189 7.3189 7.5801 7.5801 7.8813 7.8813 7.8822 7.8822 8.2868 8.2868 8.5087 8.5087 8.5254 8.5254 8.9175 8.9175 8.9381 8.9381 k = 0.0192 0.0111-0.0000 ( 21501 PWs) bands (ev): -37.4709 -37.4709 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6941 -15.6941 -15.5981 -15.5981 -14.3496 -14.3496 -14.3370 -14.3370 -14.2255 -14.2255 -14.1773 -14.1773 -14.1414 -14.1414 -14.0836 -14.0836 -0.3048 -0.3048 0.9748 0.9748 1.6030 1.6030 4.7700 4.7704 4.7780 4.7784 5.8301 5.8301 5.8810 5.8811 6.2803 6.2803 7.3194 7.3194 7.5791 7.5791 7.8696 7.8733 7.8764 7.8802 8.2782 8.2782 8.5110 8.5112 8.5283 8.5284 8.9226 8.9227 8.9447 8.9448 k = 0.0385 0.0222-0.0000 ( 21497 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6722 -34.6722 -34.6440 -34.6440 -34.6439 -34.6439 -15.7019 -15.7019 -15.6939 -15.6939 -15.5983 -15.5983 -14.3494 -14.3493 -14.3367 -14.3366 -14.2255 -14.2255 -14.1775 -14.1775 -14.1415 -14.1415 -14.0840 -14.0840 -0.3010 -0.3010 0.9741 0.9741 1.5963 1.5964 4.7658 4.7677 4.7786 4.7805 5.8390 5.8396 5.8896 5.8902 6.2826 6.2826 7.3211 7.3211 7.5762 7.5762 7.8384 7.8454 7.8646 7.8720 8.2538 8.2538 8.5172 8.5184 8.5363 8.5370 8.9319 8.9322 8.9693 8.9695 k = 0.0577 0.0333-0.0000 ( 21501 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6721 -34.6721 -34.6441 -34.6441 -34.6439 -34.6439 -15.7017 -15.7016 -15.6937 -15.6937 -15.5987 -15.5987 -14.3491 -14.3489 -14.3363 -14.3359 -14.2255 -14.2254 -14.1779 -14.1779 -14.1417 -14.1416 -14.0848 -14.0848 -0.2947 -0.2946 0.9729 0.9730 1.5853 1.5854 4.7578 4.7610 4.7821 4.7853 5.8534 5.8553 5.9035 5.9054 6.2864 6.2864 7.3233 7.3235 7.5715 7.5715 7.7918 7.8012 7.8472 7.8579 8.2171 8.2171 8.5263 8.5285 8.5482 8.5492 8.9423 8.9427 9.0114 9.0118 k = 0.0769 0.0444-0.0000 ( 21467 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6719 -34.6719 -34.6443 -34.6443 -34.6439 -34.6439 -15.7014 -15.7012 -15.6934 -15.6933 -15.5992 -15.5992 -14.3488 -14.3482 -14.3357 -14.3349 -14.2254 -14.2253 -14.1783 -14.1783 -14.1419 -14.1418 -14.0859 -14.0858 -0.2858 -0.2858 0.9713 0.9715 1.5701 1.5703 4.7467 4.7511 4.7882 4.7924 5.8727 5.8772 5.9222 5.9266 6.2917 6.2917 7.3254 7.3259 7.5649 7.5649 7.7341 7.7453 7.8254 7.8389 8.1718 8.1719 8.5366 8.5388 8.5634 8.5635 8.9553 8.9559 9.0658 9.0664 k = 0.0962 0.0555-0.0000 ( 21449 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6717 -34.6717 -34.6445 -34.6445 -34.6439 -34.6439 -15.7010 -15.7007 -15.6931 -15.6927 -15.5998 -15.5998 -14.3484 -14.3473 -14.3349 -14.3335 -14.2254 -14.2252 -14.1790 -14.1789 -14.1422 -14.1419 -14.0873 -14.0871 -0.2745 -0.2745 0.9691 0.9694 1.5508 1.5512 4.7333 4.7385 4.7967 4.8016 5.8963 5.9048 5.9452 5.9536 6.2985 6.2985 7.3258 7.3268 7.5565 7.5567 7.6703 7.6824 7.8002 7.8162 8.1209 8.1211 8.5463 8.5473 8.5787 8.5813 8.9715 8.9723 9.1289 9.1296 k = 0.1154 0.0666-0.0000 ( 21451 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6715 -34.6715 -34.6447 -34.6447 -34.6439 -34.6439 -15.7007 -15.7002 -15.6926 -15.6920 -15.6006 -15.6006 -14.3481 -14.3462 -14.3341 -14.3318 -14.2254 -14.2250 -14.1797 -14.1797 -14.1427 -14.1421 -14.0890 -14.0886 -0.2608 -0.2607 0.9663 0.9669 1.5278 1.5285 4.7178 4.7238 4.8076 4.8130 5.9235 5.9376 5.9720 5.9861 6.3068 6.3068 7.3212 7.3235 7.5464 7.5469 7.6063 7.6182 7.7730 7.7913 8.0668 8.0670 8.5534 8.5540 8.5944 8.5997 8.9911 8.9920 9.1983 9.1991 k = 0.1346 0.0777-0.0000 ( 21439 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6712 -34.6712 -34.6450 -34.6450 -34.6439 -34.6439 -15.7003 -15.6996 -15.6919 -15.6911 -15.6016 -15.6015 -14.3477 -14.3449 -14.3331 -14.3297 -14.2254 -14.2248 -14.1806 -14.1805 -14.1432 -14.1424 -14.0910 -14.0903 -0.2447 -0.2445 0.9628 0.9638 1.5013 1.5024 4.7008 4.7074 4.8210 4.8267 5.9536 5.9746 6.0023 6.0235 6.3166 6.3166 7.3061 7.3106 7.5329 7.5355 7.5513 7.5601 7.7450 7.7652 8.0107 8.0110 8.5571 8.5592 8.6092 8.6171 9.0140 9.0151 9.2723 9.2732 k = 0.1538 0.0888-0.0000 ( 21421 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6708 -34.6708 -34.6454 -34.6454 -34.6439 -34.6439 -15.6999 -15.6989 -15.6911 -15.6901 -15.6027 -15.6026 -14.3473 -14.3435 -14.3320 -14.3272 -14.2254 -14.2246 -14.1815 -14.1815 -14.1438 -14.1426 -14.0932 -14.0922 -0.2261 -0.2260 0.9587 0.9601 1.4717 1.4734 4.6828 4.6899 4.8369 4.8429 5.9858 6.0140 6.0368 6.0653 6.3278 6.3279 7.2727 7.2811 7.5045 7.5152 7.5242 7.5259 7.7174 7.7394 7.9539 7.9542 8.5588 8.5622 8.6218 8.6320 9.0403 9.0415 9.3497 9.3509 k = 0.1731 0.0999-0.0000 ( 21445 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6705 -34.6705 -34.6457 -34.6457 -34.6439 -34.6439 -15.6996 -15.6983 -15.6902 -15.6888 -15.6039 -15.6038 -14.3469 -14.3420 -14.3307 -14.3244 -14.2255 -14.2243 -14.1826 -14.1825 -14.1446 -14.1430 -14.0957 -14.0942 -0.2053 -0.2050 0.9536 0.9557 1.4395 1.4418 4.6640 4.6715 4.8555 4.8615 6.0194 6.0523 6.0774 6.1109 6.3405 6.3405 7.2192 7.2317 7.4827 7.4901 7.5101 7.5113 7.6917 7.7154 7.8969 7.8974 8.5589 8.5634 8.6309 8.6431 9.0698 9.0712 9.4299 9.4312 k = 0.1923 0.1110-0.0000 ( 21429 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6701 -34.6701 -34.6461 -34.6461 -34.6439 -34.6439 -15.6993 -15.6978 -15.6891 -15.6874 -15.6052 -15.6051 -14.3464 -14.3404 -14.3292 -14.3213 -14.2256 -14.2241 -14.1837 -14.1836 -14.1455 -14.1433 -14.0983 -14.0963 -0.1822 -0.1819 0.9475 0.9504 1.4051 1.4081 4.6449 4.6526 4.8769 4.8827 6.0534 6.0875 6.1244 6.1597 6.3546 6.3546 7.1522 7.1680 7.4720 7.4770 7.4958 7.4965 7.6701 7.6950 7.8405 7.8410 8.5578 8.5632 8.6356 8.6494 9.1026 9.1042 9.5121 9.5137 k = 0.2115 0.1221-0.0000 ( 21431 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6696 -34.6696 -34.6466 -34.6466 -34.6439 -34.6439 -15.6990 -15.6973 -15.6877 -15.6858 -15.6067 -15.6065 -14.3460 -14.3389 -14.3274 -14.3179 -14.2259 -14.2238 -14.1849 -14.1847 -14.1465 -14.1438 -14.1011 -14.0985 -0.1569 -0.1565 0.9402 0.9440 1.3690 1.3730 4.6259 4.6337 4.9010 4.9065 6.0867 6.1198 6.1757 6.2107 6.3701 6.3701 7.0796 7.0981 7.4648 7.4669 7.4810 7.4813 7.6549 7.6803 7.7850 7.7857 8.5557 8.5621 8.6349 8.6502 9.1385 9.1402 9.5957 9.5977 k = 0.2308 0.1332-0.0000 ( 21443 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6692 -34.6692 -34.6470 -34.6470 -34.6439 -34.6439 -15.6987 -15.6968 -15.6862 -15.6840 -15.6083 -15.6080 -14.3454 -14.3376 -14.3253 -14.3142 -14.2264 -14.2235 -14.1861 -14.1859 -14.1476 -14.1444 -14.1039 -14.1007 -0.1295 -0.1289 0.9313 0.9362 1.3319 1.3370 4.6071 4.6148 4.9279 4.9330 6.1179 6.1487 6.2292 6.2633 6.3868 6.3869 7.0070 7.0280 7.4533 7.4556 7.4646 7.4670 7.6485 7.6733 7.7311 7.7320 8.5529 8.5605 8.6286 8.6453 9.1774 9.1793 9.6802 9.6826 k = 0.2500 0.1443-0.0000 ( 21429 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6687 -34.6687 -34.6475 -34.6475 -34.6439 -34.6439 -15.6984 -15.6965 -15.6845 -15.6822 -15.6100 -15.6096 -14.3449 -14.3364 -14.3228 -14.3104 -14.2270 -14.2233 -14.1873 -14.1870 -14.1489 -14.1451 -14.1068 -14.1029 -0.1001 -0.0993 0.9206 0.9267 1.2945 1.3008 4.5888 4.5964 4.9577 4.9623 6.1450 6.1725 6.2840 6.3163 6.4048 6.4050 6.9385 6.9622 7.4349 7.4415 7.4475 7.4513 7.6510 7.6735 7.6809 7.6810 8.5495 8.5586 8.6163 8.6347 9.2192 9.2214 9.7651 9.7680 k = 0.2692 0.1554-0.0000 ( 21447 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6681 -34.6681 -34.6481 -34.6481 -34.6439 -34.6439 -15.6981 -15.6962 -15.6826 -15.6802 -15.6118 -15.6114 -14.3443 -14.3354 -14.3199 -14.3063 -14.2278 -14.2232 -14.1884 -14.1881 -14.1503 -14.1460 -14.1096 -14.1051 -0.0688 -0.0678 0.9074 0.9149 1.2578 1.2653 4.5712 4.5786 4.9902 4.9942 6.1654 6.1886 6.3388 6.3689 6.4238 6.4243 6.8783 6.9045 7.4127 7.4224 7.4291 7.4329 7.6297 7.6297 7.6649 7.6852 8.5454 8.5567 8.5983 8.6190 9.2639 9.2662 9.8495 9.8532 k = 0.2885 0.1665-0.0000 ( 21453 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6676 -34.6676 -34.6486 -34.6486 -34.6439 -34.6439 -15.6979 -15.6959 -15.6807 -15.6782 -15.6137 -15.6132 -14.3436 -14.3347 -14.3167 -14.3021 -14.2289 -14.2232 -14.1893 -14.1890 -14.1519 -14.1471 -14.1122 -14.1072 -0.0356 -0.0344 0.8914 0.9002 1.2226 1.2314 4.5546 4.5617 5.0255 5.0289 6.1758 6.1939 6.3927 6.4198 6.4438 6.4449 6.8304 6.8589 7.3876 7.3996 7.4088 7.4123 7.5843 7.5848 7.6821 7.7012 8.5396 8.5546 8.5754 8.5997 9.3112 9.3138 9.9326 9.9372 k = 0.3077 0.1776-0.0000 ( 21453 PWs) bands (ev): -37.4708 -37.4708 -37.4590 -37.4590 -37.4589 -37.4589 -34.6670 -34.6670 -34.6492 -34.6492 -34.6439 -34.6439 -15.6976 -15.6957 -15.6786 -15.6761 -15.6156 -15.6150 -14.3429 -14.3341 -14.3133 -14.2977 -14.2303 -14.2235 -14.1901 -14.1899 -14.1535 -14.1484 -14.1147 -14.1093 -0.0008 0.0006 0.8719 0.8819 1.1901 1.1999 4.5390 4.5457 5.0634 5.0663 6.1727 6.1856 6.4438 6.4645 6.4677 6.4682 6.7988 6.8283 7.3603 7.3742 7.3861 7.3893 7.5435 7.5442 7.7044 7.7221 8.5291 8.5438 8.5566 8.5805 9.3610 9.3638 10.0129 10.0189 k = 0.3269 0.1887-0.0000 ( 21443 PWs) bands (ev): -37.4708 -37.4708 -37.4590 -37.4590 -37.4589 -37.4589 -34.6665 -34.6665 -34.6497 -34.6497 -34.6440 -34.6440 -15.6974 -15.6955 -15.6764 -15.6739 -15.6176 -15.6169 -14.3422 -14.3337 -14.3096 -14.2933 -14.2320 -14.2240 -14.1907 -14.1905 -14.1553 -14.1501 -14.1168 -14.1112 0.0356 0.0372 0.8485 0.8594 1.1612 1.1716 4.5246 4.5308 5.1040 5.1062 6.1542 6.1626 6.4822 6.4860 6.5014 6.5131 6.7856 6.8140 7.3319 7.3471 7.3604 7.3634 7.5085 7.5092 7.7300 7.7467 8.5092 8.5126 8.5544 8.5670 9.4130 9.4161 10.0884 10.0961 k = 0.3462 0.1999-0.0000 ( 21443 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6659 -34.6659 -34.6503 -34.6503 -34.6440 -34.6440 -15.6971 -15.6954 -15.6742 -15.6717 -15.6196 -15.6189 -14.3415 -14.3334 -14.3056 -14.2888 -14.2340 -14.2247 -14.1910 -14.1909 -14.1571 -14.1520 -14.1186 -14.1129 0.0732 0.0751 0.8210 0.8325 1.1365 1.1472 4.5115 4.5172 5.1470 5.1487 6.1205 6.1258 6.5068 6.5078 6.5466 6.5546 6.7892 6.8144 7.3030 7.3191 7.3318 7.3347 7.4798 7.4804 7.7582 7.7739 8.4767 8.4794 8.5540 8.5603 9.4671 9.4704 10.1555 10.1656 k = 0.3654 0.2110-0.0000 ( 21443 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6653 -34.6653 -34.6509 -34.6509 -34.6440 -34.6440 -15.6969 -15.6953 -15.6720 -15.6696 -15.6217 -15.6209 -14.3407 -14.3333 -14.3015 -14.2844 -14.2363 -14.2259 -14.1911 -14.1910 -14.1589 -14.1541 -14.1201 -14.1146 0.1119 0.1141 0.7898 0.8013 1.1164 1.1267 4.4998 4.5049 5.1924 5.1934 6.0749 6.0783 6.5295 6.5298 6.5905 6.5932 6.8053 6.8261 7.2742 7.2906 7.3014 7.3040 7.4570 7.4575 7.7884 7.8032 8.4379 8.4437 8.5542 8.5574 9.5228 9.5264 10.2087 10.2215 k = 0.3846 0.2221-0.0000 ( 21431 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6648 -34.6648 -34.6514 -34.6514 -34.6440 -34.6440 -15.6967 -15.6953 -15.6698 -15.6676 -15.6236 -15.6228 -14.3399 -14.3333 -14.2973 -14.2801 -14.2388 -14.2274 -14.1909 -14.1908 -14.1607 -14.1565 -14.1212 -14.1161 0.1512 0.1538 0.7555 0.7665 1.1006 1.1100 4.4896 4.4941 5.2397 5.2402 6.0211 6.0235 6.5514 6.5515 6.6293 6.6313 6.8285 6.8445 7.2461 7.2616 7.2714 7.2729 7.4393 7.4397 7.8201 7.8341 8.3973 8.4046 8.5547 8.5564 9.5798 9.5837 10.2411 10.2560 k = 0.4038 0.2332-0.0000 ( 21437 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6643 -34.6643 -34.6519 -34.6519 -34.6440 -34.6440 -15.6965 -15.6953 -15.6677 -15.6656 -15.6255 -15.6247 -14.3391 -14.3334 -14.2931 -14.2762 -14.2413 -14.2293 -14.1905 -14.1905 -14.1625 -14.1588 -14.1219 -14.1174 0.1908 0.1935 0.7192 0.7293 1.0885 1.0967 4.4809 4.4847 5.2887 5.2887 5.9627 5.9647 6.5721 6.5724 6.6630 6.6683 6.8539 6.8657 7.2195 7.2325 7.2431 7.2436 7.4255 7.4259 7.8529 7.8661 8.3559 8.3640 8.5555 8.5563 9.6375 9.6416 10.2477 10.2630 k = 0.4231 0.2443-0.0000 ( 21434 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6638 -34.6638 -34.6524 -34.6524 -34.6440 -34.6440 -15.6963 -15.6953 -15.6657 -15.6639 -15.6272 -15.6264 -14.3384 -14.3337 -14.2887 -14.2729 -14.2435 -14.2316 -14.1900 -14.1900 -14.1641 -14.1612 -14.1224 -14.1186 0.2296 0.2326 0.6822 0.6912 1.0797 1.0864 4.4738 4.4769 5.3381 5.3385 5.9029 5.9047 6.5911 6.5915 6.6939 6.7009 6.8782 6.8865 7.1952 7.2051 7.2161 7.2187 7.4150 7.4153 7.8862 7.8984 8.3150 8.3232 8.5565 8.5567 9.6948 9.6991 10.2313 10.2450 k = 0.4423 0.2554-0.0000 ( 21444 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6634 -34.6634 -34.6528 -34.6528 -34.6440 -34.6440 -15.6961 -15.6953 -15.6640 -15.6625 -15.6286 -15.6279 -14.3376 -14.3340 -14.2845 -14.2706 -14.2451 -14.2341 -14.1894 -14.1894 -14.1655 -14.1633 -14.1225 -14.1196 0.2665 0.2695 0.6465 0.6541 1.0736 1.0787 4.4684 4.4707 5.3871 5.3877 5.8446 5.8462 6.6076 6.6079 6.7209 6.7282 6.8990 6.9045 7.1744 7.1812 7.1935 7.1972 7.4073 7.4075 7.9189 7.9296 8.2763 8.2842 8.5573 8.5573 9.7501 9.7545 10.2000 10.2114 k = 0.4615 0.2665-0.0000 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6631 -34.6631 -34.6531 -34.6531 -34.6440 -34.6440 -15.6959 -15.6954 -15.6625 -15.6615 -15.6297 -15.6292 -14.3369 -14.3344 -14.2804 -14.2698 -14.2455 -14.2369 -14.1889 -14.1888 -14.1665 -14.1650 -14.1225 -14.1205 0.2989 0.3016 0.6152 0.6209 1.0698 1.0732 4.4646 4.4661 5.4328 5.4335 5.7917 5.7931 6.6205 6.6207 6.7427 6.7487 6.9146 6.9179 7.1584 7.1627 7.1765 7.1800 7.4019 7.4020 7.9489 7.9574 8.2427 8.2495 8.5580 8.5581 9.8003 9.8043 10.1639 10.1724 k = 0.4808 0.2776-0.0000 ( 21422 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6629 -34.6629 -34.6533 -34.6533 -34.6440 -34.6440 -15.6957 -15.6955 -15.6614 -15.6609 -15.6304 -15.6301 -14.3362 -14.3350 -14.2765 -14.2708 -14.2445 -14.2397 -14.1884 -14.1884 -14.1671 -14.1663 -14.1223 -14.1213 0.3228 0.3245 0.5929 0.5962 1.0679 1.0696 4.4624 4.4632 5.4689 5.4694 5.7514 5.7523 6.6287 6.6289 6.7576 6.7610 6.9244 6.9259 7.1486 7.1506 7.1663 7.1685 7.3987 7.3988 7.9722 7.9772 8.2192 8.2233 8.5584 8.5585 9.8391 9.8417 10.1337 10.1386 k = 0.5000 0.2887-0.0000 ( 21432 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6440 -34.6440 -15.6956 -15.6956 -15.6609 -15.6609 -15.6305 -15.6305 -14.3355 -14.3355 -14.2732 -14.2732 -14.2424 -14.2424 -14.1883 -14.1883 -14.1670 -14.1670 -14.1218 -14.1218 0.3325 0.3325 0.5856 0.5856 1.0679 1.0679 4.4620 4.4620 5.4838 5.4838 5.7356 5.7356 6.6316 6.6316 6.7640 6.7640 6.9281 6.9281 7.1458 7.1458 7.1636 7.1636 7.3977 7.3977 7.9830 7.9830 8.2118 8.2118 8.5586 8.5586 9.8555 9.8555 10.1229 10.1229 k = 0.5000 0.2887-0.0000 ( 21432 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6440 -34.6440 -15.6956 -15.6956 -15.6609 -15.6609 -15.6305 -15.6305 -14.3355 -14.3355 -14.2732 -14.2732 -14.2424 -14.2424 -14.1883 -14.1883 -14.1670 -14.1670 -14.1218 -14.1218 0.3325 0.3325 0.5856 0.5856 1.0679 1.0679 4.4620 4.4620 5.4838 5.4838 5.7356 5.7356 6.6316 6.6316 6.7640 6.7640 6.9281 6.9281 7.1458 7.1458 7.1636 7.1636 7.3977 7.3977 7.9830 7.9830 8.2118 8.2118 8.5586 8.5586 9.8555 9.8555 10.1229 10.1229 k = 0.4889 0.3079-0.0000 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6440 -34.6440 -15.6956 -15.6956 -15.6608 -15.6608 -15.6306 -15.6306 -14.3355 -14.3355 -14.2732 -14.2732 -14.2424 -14.2424 -14.1882 -14.1882 -14.1670 -14.1670 -14.1220 -14.1220 0.3337 0.3337 0.5862 0.5862 1.0655 1.0655 4.4652 4.4652 5.4823 5.4823 5.7303 5.7303 6.6327 6.6327 6.7674 6.7674 6.9282 6.9282 7.1449 7.1449 7.1654 7.1654 7.3974 7.3974 7.9831 7.9831 8.2114 8.2114 8.5592 8.5592 9.8577 9.8577 10.1245 10.1245 k = 0.4778 0.3272-0.0000 ( 21436 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6627 -34.6627 -34.6535 -34.6535 -34.6440 -34.6440 -15.6955 -15.6955 -15.6606 -15.6606 -15.6308 -15.6308 -14.3353 -14.3353 -14.2732 -14.2732 -14.2425 -14.2425 -14.1881 -14.1881 -14.1670 -14.1670 -14.1223 -14.1223 0.3372 0.3372 0.5878 0.5878 1.0586 1.0586 4.4748 4.4748 5.4777 5.4777 5.7146 5.7146 6.6359 6.6359 6.7773 6.7773 6.9286 6.9286 7.1414 7.1414 7.1715 7.1715 7.3965 7.3965 7.9835 7.9835 8.2102 8.2102 8.5610 8.5610 9.8645 9.8645 10.1291 10.1291 k = 0.4667 0.3464-0.0000 ( 21438 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6626 -34.6626 -34.6536 -34.6536 -34.6440 -34.6440 -15.6954 -15.6954 -15.6603 -15.6603 -15.6312 -15.6312 -14.3350 -14.3350 -14.2732 -14.2732 -14.2426 -14.2426 -14.1879 -14.1879 -14.1670 -14.1670 -14.1228 -14.1228 0.3431 0.3431 0.5905 0.5905 1.0470 1.0470 4.4908 4.4908 5.4702 5.4702 5.6895 5.6895 6.6413 6.6413 6.7926 6.7926 6.9293 6.9293 7.1344 7.1344 7.1825 7.1825 7.3950 7.3950 7.9840 7.9840 8.2082 8.2082 8.5639 8.5639 9.8757 9.8757 10.1368 10.1368 k = 0.4556 0.3657-0.0000 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6624 -34.6624 -34.6538 -34.6538 -34.6440 -34.6440 -15.6953 -15.6953 -15.6599 -15.6599 -15.6317 -15.6317 -14.3346 -14.3346 -14.2731 -14.2731 -14.2428 -14.2428 -14.1875 -14.1875 -14.1670 -14.1670 -14.1235 -14.1235 0.3514 0.3514 0.5942 0.5942 1.0312 1.0312 4.5128 4.5128 5.4599 5.4599 5.6564 5.6564 6.6488 6.6488 6.8122 6.8122 6.9306 6.9306 7.1241 7.1241 7.1978 7.1978 7.3930 7.3930 7.9850 7.9850 8.2054 8.2054 8.5678 8.5678 9.8912 9.8912 10.1474 10.1474 k = 0.4444 0.3849-0.0000 ( 21432 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6622 -34.6622 -34.6540 -34.6540 -34.6440 -34.6440 -15.6951 -15.6951 -15.6593 -15.6593 -15.6323 -15.6323 -14.3341 -14.3341 -14.2730 -14.2730 -14.2431 -14.2431 -14.1871 -14.1871 -14.1671 -14.1671 -14.1243 -14.1243 0.3619 0.3619 0.5988 0.5988 1.0113 1.0113 4.5407 4.5407 5.4471 5.4471 5.6167 5.6167 6.6584 6.6584 6.8346 6.8346 6.9325 6.9325 7.1109 7.1109 7.2164 7.2164 7.3906 7.3906 7.9863 7.9863 8.2016 8.2016 8.5724 8.5724 9.9110 9.9110 10.1607 10.1607 k = 0.4333 0.4041-0.0000 ( 21472 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6620 -34.6620 -34.6542 -34.6542 -34.6440 -34.6440 -15.6949 -15.6949 -15.6586 -15.6586 -15.6331 -15.6331 -14.3335 -14.3335 -14.2728 -14.2728 -14.2435 -14.2435 -14.1865 -14.1865 -14.1672 -14.1672 -14.1253 -14.1253 0.3748 0.3748 0.6043 0.6043 0.9876 0.9876 4.5740 4.5740 5.4320 5.4320 5.5721 5.5721 6.6700 6.6700 6.8582 6.8582 6.9351 6.9351 7.0949 7.0949 7.2375 7.2375 7.3878 7.3878 7.9882 7.9882 8.1967 8.1967 8.5777 8.5777 9.9349 9.9349 10.1765 10.1765 k = 0.4222 0.4234-0.0000 ( 21466 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6617 -34.6617 -34.6545 -34.6545 -34.6440 -34.6440 -15.6947 -15.6947 -15.6578 -15.6578 -15.6341 -15.6341 -14.3329 -14.3329 -14.2725 -14.2725 -14.2439 -14.2439 -14.1858 -14.1858 -14.1675 -14.1675 -14.1264 -14.1264 0.3899 0.3899 0.6105 0.6105 0.9606 0.9606 4.6124 4.6124 5.4149 5.4149 5.5240 5.5240 6.6838 6.6838 6.8818 6.8818 6.9385 6.9385 7.0764 7.0764 7.2603 7.2603 7.3847 7.3847 7.9909 7.9909 8.1907 8.1907 8.5832 8.5832 9.9626 9.9626 10.1947 10.1947 k = 0.4111 0.4426-0.0000 ( 21470 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6614 -34.6614 -34.6548 -34.6548 -34.6440 -34.6440 -15.6945 -15.6945 -15.6568 -15.6568 -15.6352 -15.6352 -14.3322 -14.3322 -14.2721 -14.2721 -14.2445 -14.2445 -14.1850 -14.1850 -14.1678 -14.1678 -14.1275 -14.1275 0.4073 0.4073 0.6171 0.6171 0.9308 0.9308 4.6553 4.6553 5.3960 5.3960 5.4739 5.4739 6.6996 6.6996 6.9042 6.9042 6.9427 6.9427 7.0557 7.0557 7.2836 7.2836 7.3816 7.3816 7.9946 7.9946 8.1833 8.1833 8.5888 8.5888 9.9939 9.9939 10.2147 10.2147 k = 0.4000 0.4619-0.0000 ( 21464 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6610 -34.6610 -34.6552 -34.6552 -34.6440 -34.6440 -15.6944 -15.6944 -15.6557 -15.6557 -15.6364 -15.6364 -14.3316 -14.3316 -14.2716 -14.2716 -14.2452 -14.2452 -14.1841 -14.1841 -14.1683 -14.1683 -14.1286 -14.1286 0.4268 0.4268 0.6239 0.6239 0.8987 0.8987 4.7020 4.7020 5.3757 5.3757 5.4231 5.4231 6.7175 6.7175 6.9245 6.9245 6.9475 6.9475 7.0330 7.0330 7.3066 7.3066 7.3784 7.3784 7.9996 7.9996 8.1744 8.1744 8.5942 8.5942 10.0286 10.0286 10.2363 10.2363 k = 0.3889 0.4811-0.0000 ( 21466 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6606 -34.6606 -34.6556 -34.6556 -34.6440 -34.6440 -15.6942 -15.6942 -15.6544 -15.6544 -15.6377 -15.6377 -14.3310 -14.3310 -14.2710 -14.2710 -14.2459 -14.2459 -14.1830 -14.1830 -14.1689 -14.1689 -14.1296 -14.1296 0.4485 0.4485 0.6303 0.6303 0.8653 0.8653 4.7517 4.7517 5.3536 5.3536 5.3736 5.3736 6.7374 6.7374 6.9418 6.9418 6.9531 6.9531 7.0087 7.0087 7.3282 7.3282 7.3754 7.3754 8.0063 8.0063 8.1638 8.1638 8.5991 8.5991 10.0663 10.0663 10.2589 10.2589 k = 0.3778 0.5004-0.0000 ( 21480 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6602 -34.6602 -34.6560 -34.6560 -34.6440 -34.6440 -15.6940 -15.6940 -15.6530 -15.6530 -15.6392 -15.6392 -14.3305 -14.3305 -14.2703 -14.2703 -14.2467 -14.2467 -14.1818 -14.1818 -14.1698 -14.1698 -14.1305 -14.1305 0.4723 0.4723 0.6352 0.6352 0.8318 0.8318 4.8029 4.8029 5.3217 5.3217 5.3354 5.3354 6.7592 6.7592 6.9544 6.9544 6.9597 6.9597 6.9837 6.9837 7.3474 7.3474 7.3727 7.3727 8.0151 8.0151 8.1513 8.1513 8.6033 8.6033 10.1066 10.1066 10.2814 10.2814 k = 0.3667 0.5196-0.0000 ( 21480 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6597 -34.6597 -34.6565 -34.6565 -34.6440 -34.6440 -15.6939 -15.6939 -15.6515 -15.6515 -15.6408 -15.6408 -14.3301 -14.3301 -14.2696 -14.2696 -14.2476 -14.2476 -14.1805 -14.1805 -14.1708 -14.1708 -14.1313 -14.1313 0.4982 0.4982 0.6366 0.6366 0.8005 0.8005 4.8534 4.8534 5.2801 5.2801 5.3112 5.3112 6.7830 6.7830 6.9511 6.9511 6.9643 6.9643 6.9717 6.9717 7.3631 7.3631 7.3704 7.3704 8.0265 8.0265 8.1368 8.1368 8.6066 8.6066 10.1492 10.1492 10.3021 10.3021 k = 0.3556 0.5389-0.0000 ( 21480 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6592 -34.6592 -34.6570 -34.6570 -34.6440 -34.6440 -15.6938 -15.6938 -15.6498 -15.6498 -15.6425 -15.6425 -14.3298 -14.3298 -14.2688 -14.2688 -14.2483 -14.2483 -14.1791 -14.1791 -14.1721 -14.1721 -14.1318 -14.1318 0.5260 0.5260 0.6312 0.6312 0.7751 0.7751 4.8989 4.8989 5.2467 5.2467 5.2879 5.2879 6.8087 6.8087 6.9246 6.9246 6.9695 6.9695 6.9772 6.9772 7.3684 7.3684 7.3749 7.3749 8.0407 8.0407 8.1201 8.1201 8.6090 8.6090 10.1933 10.1933 10.3166 10.3166 k = 0.3444 0.5581-0.0000 ( 21472 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6587 -34.6587 -34.6575 -34.6575 -34.6440 -34.6440 -15.6938 -15.6938 -15.6481 -15.6481 -15.6442 -15.6442 -14.3296 -14.3296 -14.2683 -14.2683 -14.2489 -14.2489 -14.1777 -14.1777 -14.1734 -14.1734 -14.1321 -14.1321 0.5557 0.5557 0.6150 0.6150 0.7597 0.7597 4.9320 4.9320 5.2298 5.2298 5.2649 5.2649 6.8363 6.8363 6.8956 6.8956 6.9742 6.9742 6.9803 6.9803 7.3673 7.3673 7.3818 7.3818 8.0581 8.0581 8.1013 8.1013 8.6104 8.6104 10.2384 10.2384 10.3148 10.3148 k = 0.3333 0.5774-0.0000 ( 21456 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6440 -34.6440 -15.6938 -15.6938 -15.6464 -15.6464 -15.6459 -15.6459 -14.3295 -14.3295 -14.2680 -14.2680 -14.2492 -14.2492 -14.1768 -14.1768 -14.1742 -14.1742 -14.1323 -14.1323 0.5853 0.5853 0.5892 0.5892 0.7552 0.7552 4.9439 4.9439 5.2337 5.2337 5.2468 5.2468 6.8656 6.8656 6.8657 6.8657 6.9766 6.9766 6.9806 6.9806 7.3668 7.3668 7.3840 7.3840 8.0750 8.0750 8.0839 8.0839 8.6109 8.6109 10.2792 10.2792 10.2888 10.2888 k = 0.3333 0.5774-0.0000 ( 21456 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6440 -34.6440 -15.6938 -15.6938 -15.6464 -15.6464 -15.6459 -15.6459 -14.3295 -14.3295 -14.2680 -14.2680 -14.2492 -14.2492 -14.1768 -14.1768 -14.1742 -14.1742 -14.1323 -14.1323 0.5853 0.5853 0.5892 0.5892 0.7552 0.7552 4.9439 4.9439 5.2337 5.2337 5.2468 5.2468 6.8656 6.8656 6.8657 6.8657 6.9766 6.9766 6.9806 6.9806 7.3668 7.3668 7.3840 7.3840 8.0750 8.0750 8.0839 8.0839 8.6109 8.6109 10.2792 10.2792 10.2888 10.2888 k = 0.3222 0.5581-0.0000 ( 21470 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6587 -34.6587 -34.6575 -34.6575 -34.6440 -34.6440 -15.6938 -15.6938 -15.6481 -15.6481 -15.6441 -15.6441 -14.3296 -14.3296 -14.2683 -14.2683 -14.2489 -14.2489 -14.1777 -14.1777 -14.1733 -14.1733 -14.1321 -14.1321 0.5514 0.5514 0.6206 0.6206 0.7585 0.7585 4.9337 4.9337 5.2162 5.2162 5.2768 5.2768 6.8352 6.8352 6.8967 6.8967 6.9734 6.9734 6.9808 6.9808 7.3673 7.3673 7.3820 7.3820 8.0553 8.0553 8.1040 8.1040 8.6105 8.6105 10.2290 10.2290 10.3283 10.3283 k = 0.3111 0.5389-0.0000 ( 21478 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6593 -34.6593 -34.6569 -34.6569 -34.6440 -34.6440 -15.6938 -15.6938 -15.6502 -15.6502 -15.6421 -15.6421 -14.3298 -14.3298 -14.2692 -14.2692 -14.2480 -14.2480 -14.1794 -14.1794 -14.1716 -14.1716 -14.1318 -14.1318 0.5109 0.5109 0.6555 0.6555 0.7662 0.7662 4.9094 4.9094 5.1934 5.1934 5.3311 5.3311 6.8045 6.8045 6.9291 6.9291 6.9655 6.9655 6.9791 6.9791 7.3687 7.3687 7.3768 7.3768 8.0297 8.0297 8.1310 8.1310 8.6093 8.6093 10.1630 10.1630 10.3696 10.3696 k = 0.3000 0.5196-0.0000 ( 21472 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6599 -34.6599 -34.6563 -34.6563 -34.6440 -34.6440 -15.6939 -15.6939 -15.6523 -15.6523 -15.6399 -15.6399 -14.3301 -14.3301 -14.2707 -14.2707 -14.2466 -14.2466 -14.1812 -14.1812 -14.1698 -14.1698 -14.1313 -14.1313 0.4678 0.4678 0.6919 0.6919 0.7764 0.7764 4.8786 4.8786 5.1706 5.1706 5.3966 5.3966 6.7736 6.7736 6.9512 6.9512 6.9639 6.9639 6.9751 6.9751 7.3690 7.3690 7.3719 7.3719 8.0019 8.0019 8.1608 8.1608 8.6075 8.6075 10.0925 10.0925 10.4058 10.4058 k = 0.2889 0.5004-0.0000 ( 21464 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6605 -34.6605 -34.6557 -34.6557 -34.6440 -34.6440 -15.6940 -15.6940 -15.6545 -15.6545 -15.6377 -15.6377 -14.3305 -14.3305 -14.2728 -14.2728 -14.2448 -14.2448 -14.1831 -14.1831 -14.1678 -14.1678 -14.1305 -14.1305 0.4234 0.4234 0.7298 0.7298 0.7880 0.7880 4.8460 4.8460 5.1481 5.1481 5.4686 5.4686 6.7428 6.7428 6.9373 6.9373 6.9601 6.9601 7.0019 7.0019 7.3623 7.3623 7.3753 7.3753 7.9723 7.9723 8.1929 8.1929 8.6052 8.6052 10.0204 10.0204 10.4340 10.4340 k = 0.2778 0.4811-0.0000 ( 21460 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6612 -34.6612 -34.6550 -34.6550 -34.6440 -34.6440 -15.6942 -15.6942 -15.6568 -15.6568 -15.6355 -15.6355 -14.3310 -14.3310 -14.2752 -14.2752 -14.2427 -14.2427 -14.1848 -14.1848 -14.1659 -14.1659 -14.1296 -14.1296 0.3785 0.3785 0.7689 0.7689 0.8004 0.8004 4.8136 4.8136 5.1259 5.1259 5.5445 5.5445 6.7123 6.7123 6.9191 6.9191 6.9417 6.9417 7.0389 7.0389 7.3571 7.3571 7.3803 7.3803 7.9412 7.9412 8.2269 8.2269 8.6026 8.6026 9.9483 9.9483 10.4506 10.4506 k = 0.2667 0.4619-0.0000 ( 21475 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6618 -34.6618 -34.6544 -34.6544 -34.6440 -34.6440 -15.6943 -15.6943 -15.6591 -15.6591 -15.6332 -15.6332 -14.3316 -14.3316 -14.2780 -14.2780 -14.2405 -14.2405 -14.1864 -14.1864 -14.1639 -14.1639 -14.1285 -14.1285 0.3334 0.3334 0.8077 0.8077 0.8148 0.8148 4.7829 4.7829 5.1042 5.1042 5.6226 5.6226 6.6821 6.6821 6.8978 6.8978 6.9156 6.9156 7.0776 7.0776 7.3553 7.3553 7.3868 7.3868 7.9089 7.9089 8.2623 8.2623 8.5998 8.5998 9.8768 9.8768 10.4526 10.4526 k = 0.2556 0.4426-0.0000 ( 21465 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6625 -34.6625 -34.6537 -34.6537 -34.6440 -34.6440 -15.6945 -15.6945 -15.6614 -15.6614 -15.6309 -15.6309 -14.3323 -14.3323 -14.2811 -14.2811 -14.2381 -14.2381 -14.1879 -14.1879 -14.1619 -14.1619 -14.1272 -14.1272 0.2886 0.2886 0.8252 0.8252 0.8516 0.8516 4.7546 4.7546 5.0830 5.0830 5.7019 5.7019 6.6524 6.6524 6.8718 6.8718 6.8844 6.8844 7.1174 7.1174 7.3576 7.3576 7.3950 7.3950 7.8757 7.8757 8.2987 8.2987 8.5970 8.5970 9.8066 9.8066 10.4383 10.4383 k = 0.2444 0.4234-0.0000 ( 21471 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6632 -34.6632 -34.6531 -34.6531 -34.6440 -34.6440 -15.6948 -15.6948 -15.6637 -15.6637 -15.6286 -15.6286 -14.3331 -14.3331 -14.2843 -14.2843 -14.2359 -14.2359 -14.1891 -14.1891 -14.1600 -14.1600 -14.1257 -14.1257 0.2443 0.2443 0.8381 0.8381 0.8939 0.8939 4.7290 4.7290 5.0622 5.0622 5.7813 5.7813 6.6234 6.6234 6.8337 6.8337 6.8568 6.8568 7.1580 7.1580 7.3644 7.3644 7.4050 7.4050 7.8421 7.8421 8.3356 8.3356 8.5942 8.5942 9.7379 9.7379 10.4079 10.4079 k = 0.2333 0.4041-0.0000 ( 21471 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6638 -34.6638 -34.6524 -34.6524 -34.6440 -34.6440 -15.6950 -15.6950 -15.6661 -15.6661 -15.6263 -15.6263 -14.3339 -14.3339 -14.2878 -14.2878 -14.2337 -14.2337 -14.1900 -14.1900 -14.1581 -14.1581 -14.1240 -14.1240 0.2008 0.2008 0.8506 0.8506 0.9370 0.9370 4.7066 4.7066 5.0420 5.0420 5.8594 5.8594 6.5951 6.5951 6.7857 6.7857 6.8328 6.8328 7.1989 7.1989 7.3754 7.3754 7.4173 7.4173 7.8083 7.8083 8.3725 8.3725 8.5917 8.5917 9.6711 9.6711 10.3636 10.3636 k = 0.2222 0.3849-0.0000 ( 21461 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6645 -34.6645 -34.6517 -34.6517 -34.6440 -34.6440 -15.6952 -15.6952 -15.6684 -15.6684 -15.6241 -15.6241 -14.3348 -14.3348 -14.2913 -14.2913 -14.2317 -14.2317 -14.1907 -14.1907 -14.1563 -14.1563 -14.1221 -14.1221 0.1583 0.1583 0.8628 0.8628 0.9808 0.9808 4.6874 4.6874 5.0223 5.0223 5.9347 5.9347 6.5675 6.5675 6.7317 6.7317 6.8112 6.8112 7.2395 7.2395 7.3902 7.3902 7.4324 7.4324 7.7745 7.7745 8.4090 8.4090 8.5895 8.5895 9.6063 9.6063 10.3079 10.3079 k = 0.2111 0.3657-0.0000 ( 21465 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6651 -34.6651 -34.6511 -34.6511 -34.6440 -34.6440 -15.6955 -15.6955 -15.6707 -15.6707 -15.6218 -15.6218 -14.3356 -14.3356 -14.2949 -14.2949 -14.2300 -14.2300 -14.1910 -14.1910 -14.1545 -14.1545 -14.1201 -14.1201 0.1169 0.1169 0.8744 0.8744 1.0250 1.0250 4.6715 4.6715 5.0031 5.0031 6.0051 6.0051 6.5409 6.5409 6.6736 6.6736 6.7937 6.7937 7.2789 7.2789 7.4081 7.4081 7.4512 7.4512 7.7413 7.7413 8.4446 8.4446 8.5876 8.5876 9.5438 9.5438 10.2433 10.2433 k = 0.2000 0.3464-0.0000 ( 21443 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6657 -34.6657 -34.6505 -34.6505 -34.6440 -34.6440 -15.6958 -15.6958 -15.6730 -15.6730 -15.6197 -15.6197 -14.3366 -14.3366 -14.2986 -14.2986 -14.2285 -14.2285 -14.1910 -14.1910 -14.1529 -14.1529 -14.1179 -14.1179 0.0769 0.0769 0.8855 0.8855 1.0695 1.0695 4.6591 4.6591 4.9844 4.9844 6.0678 6.0678 6.5152 6.5152 6.6126 6.6126 6.7831 6.7831 7.3159 7.3159 7.4288 7.4288 7.4747 7.4747 7.7087 7.7087 8.4786 8.4786 8.5863 8.5863 9.4837 9.4837 10.1721 10.1721 k = 0.1889 0.3272-0.0000 ( 21465 PWs) bands (ev): -37.4708 -37.4708 -37.4590 -37.4590 -37.4589 -37.4589 -34.6664 -34.6664 -34.6498 -34.6498 -34.6440 -34.6440 -15.6961 -15.6961 -15.6752 -15.6752 -15.6176 -15.6176 -14.3375 -14.3375 -14.3022 -14.3022 -14.2273 -14.2273 -14.1907 -14.1907 -14.1515 -14.1515 -14.1155 -14.1155 0.0383 0.0383 0.8961 0.8961 1.1139 1.1139 4.6501 4.6501 4.9663 4.9663 6.1192 6.1192 6.4904 6.4904 6.5501 6.5501 6.7829 6.7829 7.3492 7.3492 7.4517 7.4517 7.5040 7.5040 7.6771 7.6771 8.5102 8.5102 8.5856 8.5856 9.4262 9.4262 10.0959 10.0959 k = 0.1778 0.3079-0.0000 ( 21465 PWs) bands (ev): -37.4708 -37.4708 -37.4590 -37.4590 -37.4589 -37.4589 -34.6670 -34.6670 -34.6492 -34.6492 -34.6440 -34.6440 -15.6964 -15.6964 -15.6774 -15.6774 -15.6155 -15.6155 -14.3384 -14.3384 -14.3058 -14.3058 -14.2264 -14.2264 -14.1901 -14.1901 -14.1501 -14.1501 -14.1131 -14.1131 0.0013 0.0013 0.9059 0.9059 1.1581 1.1581 4.6444 4.6444 4.9487 4.9487 6.1557 6.1557 6.4651 6.4651 6.4884 6.4884 6.7969 6.7969 7.3782 7.3782 7.4765 7.4765 7.5397 7.5397 7.6468 7.6468 8.5385 8.5385 8.5859 8.5859 9.3714 9.3714 10.0161 10.0161 k = 0.1667 0.2887-0.0000 ( 21461 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6675 -34.6675 -34.6487 -34.6487 -34.6439 -34.6439 -15.6967 -15.6967 -15.6795 -15.6795 -15.6135 -15.6135 -14.3393 -14.3393 -14.3094 -14.3094 -14.2257 -14.2257 -14.1893 -14.1893 -14.1488 -14.1488 -14.1105 -14.1105 -0.0341 -0.0341 0.9151 0.9151 1.2019 1.2019 4.6420 4.6420 4.9316 4.9316 6.1752 6.1752 6.4196 6.4196 6.4482 6.4482 6.8272 6.8272 7.4032 7.4032 7.5030 7.5030 7.5813 7.5813 7.6181 7.6181 8.5611 8.5611 8.5887 8.5887 9.3194 9.3194 9.9339 9.9339 k = 0.1556 0.2694-0.0000 ( 21471 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6681 -34.6681 -34.6481 -34.6481 -34.6439 -34.6439 -15.6970 -15.6970 -15.6815 -15.6815 -15.6117 -15.6117 -14.3403 -14.3403 -14.3128 -14.3128 -14.2253 -14.2253 -14.1883 -14.1883 -14.1477 -14.1477 -14.1079 -14.1079 -0.0676 -0.0676 0.9236 0.9236 1.2449 1.2449 4.6426 4.6426 4.9150 4.9150 6.1779 6.1779 6.3584 6.3584 6.4260 6.4260 6.8733 6.8733 7.4251 7.4251 7.5308 7.5308 7.5914 7.5914 7.6276 7.6276 8.5733 8.5733 8.5980 8.5980 9.2703 9.2703 9.8501 9.8501 k = 0.1444 0.2502-0.0000 ( 21477 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6686 -34.6686 -34.6476 -34.6476 -34.6439 -34.6439 -15.6974 -15.6974 -15.6834 -15.6834 -15.6099 -15.6099 -14.3412 -14.3412 -14.3161 -14.3161 -14.2250 -14.2250 -14.1872 -14.1872 -14.1467 -14.1467 -14.1052 -14.1052 -0.0992 -0.0992 0.9313 0.9313 1.2870 1.2870 4.6461 4.6461 4.8990 4.8990 6.1666 6.1666 6.2981 6.2981 6.4060 6.4060 6.9324 6.9324 7.4447 7.4447 7.5563 7.5563 7.5707 7.5707 7.6773 7.6773 8.5769 8.5769 8.6114 8.6114 9.2242 9.2242 9.7655 9.7655 k = 0.1333 0.2309-0.0000 ( 21469 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6691 -34.6691 -34.6471 -34.6471 -34.6439 -34.6439 -15.6977 -15.6977 -15.6851 -15.6851 -15.6082 -15.6082 -14.3421 -14.3421 -14.3192 -14.3192 -14.2248 -14.2248 -14.1860 -14.1860 -14.1458 -14.1458 -14.1025 -14.1025 -0.1288 -0.1288 0.9384 0.9384 1.3278 1.3278 4.6523 4.6523 4.8835 4.8835 6.1446 6.1446 6.2402 6.2402 6.3876 6.3876 7.0005 7.0005 7.4627 7.4627 7.5436 7.5436 7.5923 7.5923 7.7297 7.7297 8.5778 8.5778 8.6222 8.6222 9.1812 9.1812 9.6807 9.6807 k = 0.1222 0.2117-0.0000 ( 21449 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6696 -34.6696 -34.6466 -34.6466 -34.6439 -34.6439 -15.6981 -15.6981 -15.6867 -15.6867 -15.6066 -15.6066 -14.3430 -14.3430 -14.3221 -14.3221 -14.2248 -14.2248 -14.1849 -14.1849 -14.1450 -14.1450 -14.0999 -14.0999 -0.1564 -0.1564 0.9447 0.9447 1.3669 1.3669 4.6608 4.6608 4.8687 4.8687 6.1150 6.1150 6.1857 6.1857 6.3705 6.3705 7.0734 7.0734 7.4794 7.4794 7.5265 7.5265 7.6231 7.6231 7.7841 7.7841 8.5777 8.5777 8.6284 8.6284 9.1414 9.1414 9.5962 9.5962 k = 0.1111 0.1925-0.0000 ( 21443 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6701 -34.6701 -34.6461 -34.6461 -34.6439 -34.6439 -15.6985 -15.6985 -15.6882 -15.6882 -15.6052 -15.6052 -14.3439 -14.3439 -14.3247 -14.3247 -14.2248 -14.2248 -14.1837 -14.1837 -14.1444 -14.1444 -14.0974 -14.0974 -0.1818 -0.1818 0.9504 0.9504 1.4042 1.4042 4.6713 4.6713 4.8545 4.8545 6.0802 6.0802 6.1355 6.1355 6.3549 6.3549 7.1467 7.1467 7.4948 7.4948 7.5155 7.5155 7.6548 7.6548 7.8398 7.8398 8.5767 8.5767 8.6295 8.6295 9.1048 9.1048 9.5127 9.5127 k = 0.1000 0.1732-0.0000 ( 21445 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6705 -34.6705 -34.6457 -34.6457 -34.6439 -34.6439 -15.6990 -15.6990 -15.6895 -15.6895 -15.6038 -15.6038 -14.3448 -14.3448 -14.3272 -14.3272 -14.2249 -14.2249 -14.1826 -14.1826 -14.1437 -14.1437 -14.0950 -14.0950 -0.2050 -0.2050 0.9554 0.9554 1.4393 1.4393 4.6834 4.6834 4.8411 4.8411 6.0423 6.0423 6.0900 6.0900 6.3407 6.3407 7.2148 7.2148 7.5072 7.5072 7.5159 7.5159 7.6867 7.6867 7.8964 7.8964 8.5747 8.5747 8.6257 8.6257 9.0715 9.0715 9.4306 9.4306 k = 0.0889 0.1540-0.0000 ( 21451 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6708 -34.6708 -34.6454 -34.6454 -34.6439 -34.6439 -15.6994 -15.6994 -15.6906 -15.6906 -15.6026 -15.6026 -14.3456 -14.3456 -14.3293 -14.3293 -14.2250 -14.2250 -14.1815 -14.1815 -14.1432 -14.1432 -14.0927 -14.0927 -0.2259 -0.2259 0.9597 0.9597 1.4718 1.4718 4.6967 4.6967 4.8285 4.8285 6.0035 6.0035 6.0490 6.0490 6.3280 6.3280 7.2698 7.2698 7.5200 7.5200 7.5305 7.5305 7.7184 7.7184 7.9535 7.9535 8.5714 8.5714 8.6175 8.6175 9.0416 9.0416 9.3504 9.3504 k = 0.0778 0.1347-0.0000 ( 21463 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6712 -34.6712 -34.6450 -34.6450 -34.6439 -34.6439 -15.6999 -15.6999 -15.6915 -15.6915 -15.6016 -15.6016 -14.3464 -14.3464 -14.3312 -14.3312 -14.2251 -14.2251 -14.1805 -14.1805 -14.1428 -14.1428 -14.0907 -14.0907 -0.2445 -0.2445 0.9635 0.9635 1.5015 1.5015 4.7105 4.7105 4.8169 4.8169 5.9660 5.9660 6.0119 6.0119 6.3167 6.3167 7.3048 7.3048 7.5348 7.5348 7.5631 7.5631 7.7495 7.7495 8.0105 8.0105 8.5663 8.5663 8.6059 8.6059 9.0150 9.0150 9.2729 9.2729 k = 0.0667 0.1155-0.0000 ( 21461 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6715 -34.6715 -34.6447 -34.6447 -34.6439 -34.6439 -15.7004 -15.7004 -15.6923 -15.6923 -15.6006 -15.6006 -14.3472 -14.3472 -14.3329 -14.3329 -14.2252 -14.2252 -14.1797 -14.1797 -14.1424 -14.1424 -14.0888 -14.0888 -0.2607 -0.2607 0.9666 0.9666 1.5279 1.5279 4.7243 4.7243 4.8065 4.8065 5.9315 5.9315 5.9786 5.9786 6.3069 6.3069 7.3211 7.3211 7.5466 7.5466 7.6156 7.6156 7.7792 7.7792 8.0666 8.0666 8.5593 8.5593 8.5920 8.5920 8.9918 8.9918 9.1989 9.1989 k = 0.0556 0.0962-0.0000 ( 21463 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6717 -34.6717 -34.6445 -34.6445 -34.6439 -34.6439 -15.7009 -15.7009 -15.6929 -15.6929 -15.5998 -15.5998 -14.3479 -14.3479 -14.3342 -14.3342 -14.2253 -14.2253 -14.1790 -14.1790 -14.1421 -14.1421 -14.0872 -14.0872 -0.2745 -0.2745 0.9693 0.9693 1.5509 1.5509 4.7376 4.7376 4.7973 4.7973 5.9010 5.9010 5.9493 5.9493 6.2986 6.2986 7.3259 7.3259 7.5566 7.5566 7.6775 7.6775 7.8070 7.8070 8.1208 8.1208 8.5500 8.5500 8.5771 8.5771 8.9721 8.9721 9.1295 9.1295 k = 0.0444 0.0770-0.0000 ( 21477 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6719 -34.6719 -34.6443 -34.6443 -34.6439 -34.6439 -15.7013 -15.7013 -15.6934 -15.6934 -15.5992 -15.5992 -14.3485 -14.3485 -14.3353 -14.3353 -14.2254 -14.2254 -14.1783 -14.1783 -14.1418 -14.1418 -14.0859 -14.0859 -0.2858 -0.2858 0.9714 0.9714 1.5701 1.5701 4.7496 4.7496 4.7896 4.7896 5.8751 5.8751 5.9244 5.9244 6.2917 6.2917 7.3256 7.3256 7.5649 7.5649 7.7398 7.7398 7.8318 7.8318 8.1717 8.1717 8.5391 8.5391 8.5622 8.5622 8.9557 8.9557 9.0663 9.0663 k = 0.0333 0.0577-0.0000 ( 21499 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6721 -34.6721 -34.6441 -34.6441 -34.6439 -34.6439 -15.7016 -15.7016 -15.6937 -15.6937 -15.5987 -15.5987 -14.3490 -14.3490 -14.3361 -14.3361 -14.2254 -14.2254 -14.1779 -14.1779 -14.1416 -14.1416 -14.0848 -14.0848 -0.2946 -0.2946 0.9730 0.9730 1.5853 1.5853 4.7595 4.7595 4.7836 4.7836 5.8544 5.8544 5.9045 5.9045 6.2864 6.2864 7.3234 7.3234 7.5714 7.5714 7.7962 7.7962 7.8528 7.8528 8.2170 8.2170 8.5277 8.5277 8.5484 8.5484 8.9425 8.9425 9.0117 9.0117 k = 0.0222 0.0385-0.0000 ( 21499 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6722 -34.6722 -34.6440 -34.6440 -34.6439 -34.6439 -15.7019 -15.7019 -15.6939 -15.6939 -15.5983 -15.5983 -14.3494 -14.3494 -14.3367 -14.3367 -14.2255 -14.2255 -14.1775 -14.1775 -14.1415 -14.1415 -14.0840 -14.0840 -0.3010 -0.3010 0.9741 0.9741 1.5963 1.5963 4.7667 4.7667 4.7796 4.7796 5.8393 5.8393 5.8899 5.8899 6.2826 6.2826 7.3211 7.3211 7.5762 7.5762 7.8414 7.8414 7.8687 7.8687 8.2537 8.2537 8.5178 8.5178 8.5366 8.5366 8.9320 8.9320 8.9694 8.9694 k = 0.0111 0.0192-0.0000 ( 21511 PWs) bands (ev): -37.4709 -37.4709 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6941 -15.6941 -15.5981 -15.5981 -14.3496 -14.3496 -14.3370 -14.3370 -14.2255 -14.2255 -14.1773 -14.1773 -14.1414 -14.1414 -14.0836 -14.0836 -0.3048 -0.3048 0.9748 0.9748 1.6030 1.6030 4.7702 4.7702 4.7782 4.7782 5.8301 5.8301 5.8810 5.8810 6.2803 6.2803 7.3194 7.3194 7.5791 7.5791 7.8709 7.8709 7.8788 7.8788 8.2782 8.2782 8.5111 8.5111 8.5284 8.5284 8.9226 8.9226 8.9448 8.9448 k = 0.0000 0.0000 0.0000 ( 21505 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6941 -15.6941 -15.5980 -15.5980 -14.3497 -14.3497 -14.3371 -14.3371 -14.2255 -14.2255 -14.1772 -14.1772 -14.1414 -14.1414 -14.0834 -14.0834 -0.3060 -0.3060 0.9750 0.9750 1.6052 1.6052 4.7708 4.7708 4.7783 4.7783 5.8270 5.8270 5.8781 5.8781 6.2796 6.2796 7.3189 7.3189 7.5801 7.5801 7.8813 7.8813 7.8822 7.8822 8.2868 8.2868 8.5087 8.5087 8.5254 8.5254 8.9175 8.9175 8.9381 8.9381 k = 0.0000 0.0000 0.0000 ( 21505 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6941 -15.6941 -15.5980 -15.5980 -14.3497 -14.3497 -14.3371 -14.3371 -14.2255 -14.2255 -14.1772 -14.1772 -14.1414 -14.1414 -14.0834 -14.0834 -0.3060 -0.3060 0.9750 0.9750 1.6052 1.6052 4.7708 4.7708 4.7783 4.7783 5.8270 5.8270 5.8781 5.8781 6.2796 6.2796 7.3189 7.3189 7.5801 7.5801 7.8813 7.8813 7.8822 7.8822 8.2868 8.2868 8.5087 8.5087 8.5254 8.5254 8.9175 8.9175 8.9381 8.9381 k = 0.0000 0.0000 0.0220 ( 21523 PWs) bands (ev): -37.4709 -37.4709 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7021 -15.7021 -15.6942 -15.6941 -15.5980 -15.5980 -14.3497 -14.3497 -14.3371 -14.3371 -14.2257 -14.2256 -14.1773 -14.1773 -14.1415 -14.1415 -14.0834 -14.0834 -0.3046 -0.3046 0.9756 0.9756 1.6044 1.6044 4.7727 4.7727 4.7798 4.7807 5.8268 5.8275 5.8781 5.8781 6.2800 6.2800 7.2888 7.2888 7.6035 7.6035 7.8775 7.8775 7.8778 7.8789 8.2832 8.2832 8.5077 8.5077 8.5227 8.5266 8.9192 8.9219 8.9416 8.9416 k = 0.0000 0.0000 0.0439 ( 21499 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6723 -34.6723 -34.6439 -34.6439 -34.6439 -34.6439 -15.7022 -15.7022 -15.6943 -15.6941 -15.5982 -15.5982 -14.3496 -14.3496 -14.3371 -14.3371 -14.2259 -14.2257 -14.1775 -14.1775 -14.1417 -14.1417 -14.0834 -14.0834 -0.3003 -0.3003 0.9773 0.9773 1.6017 1.6017 4.7784 4.7784 4.7850 4.7868 5.8267 5.8282 5.8783 5.8783 6.2814 6.2814 7.2190 7.2190 7.6521 7.6521 7.8659 7.8660 7.8660 7.8681 8.2740 8.2740 8.5050 8.5050 8.5190 8.5264 8.9269 8.9323 8.9518 8.9518 k = 0.0000 0.0000 0.0659 ( 21511 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6722 -34.6722 -34.6439 -34.6439 -34.6439 -34.6439 -15.7022 -15.7022 -15.6944 -15.6942 -15.5983 -15.5983 -14.3496 -14.3496 -14.3372 -14.3372 -14.2263 -14.2260 -14.1779 -14.1779 -14.1421 -14.1421 -14.0835 -14.0835 -0.2932 -0.2932 0.9802 0.9802 1.5973 1.5973 4.7880 4.7880 4.7941 4.7968 5.8269 5.8292 5.8786 5.8786 6.2837 6.2837 7.1320 7.1320 7.6995 7.6995 7.8469 7.8472 7.8472 7.8500 8.2647 8.2647 8.5013 8.5013 8.5148 8.5252 8.9401 8.9476 8.9677 8.9677 k = 0.0000 0.0000 0.0879 ( 21499 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6722 -34.6722 -34.6438 -34.6438 -34.6438 -34.6438 -15.7023 -15.7023 -15.6946 -15.6943 -15.5986 -15.5986 -14.3495 -14.3495 -14.3372 -14.3372 -14.2268 -14.2264 -14.1784 -14.1784 -14.1427 -14.1427 -14.0836 -14.0835 -0.2832 -0.2832 0.9841 0.9841 1.5913 1.5913 4.8013 4.8013 4.8069 4.8105 5.8273 5.8304 5.8791 5.8791 6.2868 6.2868 7.0368 7.0368 7.7300 7.7300 7.8213 7.8216 7.8216 7.8250 8.2638 8.2638 8.4972 8.4972 8.5109 8.5237 8.9578 8.9670 8.9884 8.9884 k = 0.0000 0.0000 0.1099 ( 21463 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6722 -34.6722 -34.6438 -34.6438 -34.6438 -34.6438 -15.7025 -15.7025 -15.6948 -15.6944 -15.5989 -15.5989 -14.3494 -14.3494 -14.3372 -14.3372 -14.2274 -14.2270 -14.1791 -14.1791 -14.1434 -14.1434 -14.0836 -14.0836 -0.2705 -0.2705 0.9892 0.9892 1.5835 1.5835 4.8183 4.8183 4.8233 4.8280 5.8279 5.8319 5.8797 5.8797 6.2908 6.2908 6.9369 6.9369 7.7335 7.7335 7.7897 7.7899 7.7899 7.7939 8.2802 8.2802 8.4937 8.4937 8.5077 8.5223 8.9789 8.9895 9.0125 9.0125 k = 0.0000 0.0000 0.1318 ( 21469 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6721 -34.6721 -34.6438 -34.6438 -34.6438 -34.6438 -15.7026 -15.7026 -15.6950 -15.6946 -15.5993 -15.5993 -14.3493 -14.3493 -14.3373 -14.3373 -14.2282 -14.2277 -14.1799 -14.1799 -14.1443 -14.1443 -14.0837 -14.0837 -0.2550 -0.2550 0.9953 0.9953 1.5743 1.5743 4.8390 4.8390 4.8435 4.8491 5.8288 5.8337 5.8805 5.8805 6.2956 6.2956 6.8340 6.8340 7.7070 7.7070 7.7529 7.7531 7.7531 7.7574 8.3172 8.3172 8.4911 8.4911 8.5056 8.5216 9.0025 9.0141 9.0390 9.0390 k = 0.0000 0.0000 0.1538 ( 21457 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6721 -34.6721 -34.6437 -34.6437 -34.6437 -34.6437 -15.7028 -15.7028 -15.6953 -15.6948 -15.5998 -15.5998 -14.3491 -14.3491 -14.3373 -14.3373 -14.2291 -14.2285 -14.1808 -14.1808 -14.1453 -14.1453 -14.0839 -14.0838 -0.2367 -0.2367 1.0025 1.0025 1.5635 1.5635 4.8633 4.8633 4.8672 4.8739 5.8299 5.8359 5.8814 5.8814 6.3012 6.3012 6.7290 6.7290 7.6552 7.6552 7.7116 7.7119 7.7119 7.7163 8.3718 8.3718 8.4898 8.4898 8.5050 8.5219 9.0278 9.0401 9.0672 9.0672 k = 0.0000 0.0000 0.1758 ( 21439 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6720 -34.6720 -34.6436 -34.6436 -34.6436 -34.6436 -15.7030 -15.7030 -15.6956 -15.6950 -15.6003 -15.6003 -14.3490 -14.3490 -14.3374 -14.3374 -14.2300 -14.2294 -14.1818 -14.1818 -14.1464 -14.1464 -14.0840 -14.0839 -0.2158 -0.2158 1.0106 1.0106 1.5513 1.5513 4.8911 4.8911 4.8943 4.9022 5.8314 5.8384 5.8825 5.8825 6.3075 6.3075 6.6226 6.6226 7.5852 7.5852 7.6667 7.6668 7.6668 7.6714 8.4384 8.4384 8.4897 8.4897 8.5056 8.5231 9.0541 9.0670 9.0962 9.0962 k = 0.0000 0.0000 0.1977 ( 21427 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6719 -34.6719 -34.6436 -34.6436 -34.6436 -34.6436 -15.7032 -15.7032 -15.6959 -15.6953 -15.6009 -15.6009 -14.3488 -14.3488 -14.3375 -14.3375 -14.2311 -14.2304 -14.1830 -14.1830 -14.1477 -14.1477 -14.0841 -14.0840 -0.1922 -0.1922 1.0197 1.0197 1.5378 1.5378 4.9223 4.9223 4.9248 4.9339 5.8331 5.8413 5.8839 5.8839 6.3144 6.3144 6.5152 6.5152 7.5029 7.5029 7.6187 7.6187 7.6190 7.6236 8.4909 8.4909 8.5075 8.5125 8.5125 8.5254 9.0811 9.0943 9.1257 9.1257 k = 0.0000 0.0000 0.2197 ( 21427 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6718 -34.6718 -34.6435 -34.6435 -34.6435 -34.6435 -15.7035 -15.7035 -15.6963 -15.6956 -15.6016 -15.6016 -14.3486 -14.3486 -14.3375 -14.3375 -14.2323 -14.2315 -14.1842 -14.1842 -14.1490 -14.1490 -14.0842 -14.0841 -0.1661 -0.1661 1.0296 1.0296 1.5232 1.5232 4.9569 4.9569 4.9585 4.9690 5.8351 5.8447 5.8855 5.8855 6.3218 6.3218 6.4073 6.4073 7.4121 7.4121 7.5684 7.5684 7.5690 7.5735 8.4933 8.4933 8.5104 8.5286 8.5914 8.5914 9.1084 9.1217 9.1552 9.1552 k = 0.0000 0.0000 0.2417 ( 21451 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6717 -34.6717 -34.6434 -34.6434 -34.6434 -34.6434 -15.7037 -15.7037 -15.6967 -15.6960 -15.6023 -15.6023 -14.3484 -14.3484 -14.3377 -14.3377 -14.2336 -14.2328 -14.1856 -14.1856 -14.1505 -14.1505 -14.0844 -14.0843 -0.1375 -0.1375 1.0403 1.0403 1.5075 1.5075 4.9945 4.9945 4.9953 5.0072 5.8376 5.8486 5.8875 5.8875 6.2981 6.2981 6.3309 6.3309 7.3158 7.3158 7.5167 7.5167 7.5175 7.5218 8.4965 8.4965 8.5143 8.5325 8.6732 8.6732 9.1356 9.1489 9.1844 9.1844 k = 0.0000 0.0000 0.2637 ( 21464 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6716 -34.6716 -34.6433 -34.6433 -34.6433 -34.6433 -15.7040 -15.7040 -15.6971 -15.6964 -15.6030 -15.6030 -14.3482 -14.3482 -14.3378 -14.3378 -14.2350 -14.2341 -14.1870 -14.1870 -14.1521 -14.1521 -14.0845 -14.0844 -0.1064 -0.1064 1.0518 1.0518 1.4909 1.4909 5.0349 5.0352 5.0352 5.0484 5.8405 5.8532 5.8899 5.8899 6.1904 6.1904 6.3389 6.3389 7.2158 7.2158 7.4642 7.4642 7.4651 7.4692 8.5003 8.5003 8.5187 8.5369 8.7572 8.7572 9.1625 9.1756 9.2130 9.2130 k = 0.0000 0.0000 0.2856 ( 21470 PWs) bands (ev): -37.4708 -37.4708 -37.4589 -37.4589 -37.4589 -37.4589 -34.6716 -34.6716 -34.6432 -34.6432 -34.6432 -34.6432 -15.7043 -15.7043 -15.6975 -15.6967 -15.6038 -15.6038 -14.3480 -14.3480 -14.3379 -14.3379 -14.2365 -14.2355 -14.1885 -14.1885 -14.1537 -14.1537 -14.0846 -14.0845 -0.0730 -0.0730 1.0639 1.0639 1.4734 1.4734 5.0772 5.0786 5.0786 5.0924 5.8440 5.8586 5.8927 5.8927 6.0826 6.0826 6.3479 6.3479 7.1136 7.1136 7.4113 7.4113 7.4121 7.4161 8.5045 8.5045 8.5235 8.5416 8.8428 8.8428 9.1891 9.2017 9.2410 9.2410 k = 0.0000 0.0000 0.3076 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6714 -34.6714 -34.6431 -34.6431 -34.6431 -34.6431 -15.7046 -15.7046 -15.6980 -15.6972 -15.6046 -15.6046 -14.3477 -14.3477 -14.3380 -14.3380 -14.2380 -14.2370 -14.1900 -14.1900 -14.1554 -14.1554 -14.0847 -14.0846 -0.0374 -0.0374 1.0765 1.0765 1.4553 1.4553 5.1218 5.1245 5.1245 5.1390 5.8482 5.8650 5.8959 5.8959 5.9757 5.9757 6.3572 6.3572 7.0103 7.0103 7.3585 7.3585 7.3591 7.3629 8.5087 8.5087 8.5283 8.5463 8.9296 8.9296 9.2150 9.2270 9.2679 9.2679 k = 0.0000 0.0000 0.3296 ( 21446 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6713 -34.6713 -34.6430 -34.6430 -34.6430 -34.6430 -15.7049 -15.7049 -15.6984 -15.6976 -15.6055 -15.6055 -14.3475 -14.3475 -14.3382 -14.3382 -14.2396 -14.2385 -14.1916 -14.1916 -14.1571 -14.1571 -14.0849 -14.0848 0.0003 0.0003 1.0896 1.0896 1.4367 1.4367 5.1684 5.1726 5.1726 5.1878 5.8532 5.8673 5.8673 5.8725 5.9021 5.9021 6.3669 6.3669 6.9067 6.9067 7.3062 7.3062 7.3064 7.3102 8.5128 8.5128 8.5329 8.5507 9.0175 9.0175 9.2401 9.2511 9.2937 9.2937 k = 0.0000 0.0000 0.3515 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6712 -34.6712 -34.6429 -34.6429 -34.6429 -34.6429 -15.7053 -15.7053 -15.6989 -15.6981 -15.6064 -15.6064 -14.3473 -14.3473 -14.3384 -14.3384 -14.2412 -14.2401 -14.1933 -14.1933 -14.1588 -14.1588 -14.0850 -14.0849 0.0401 0.0401 1.1029 1.1029 1.4177 1.4177 5.2166 5.2225 5.2225 5.2385 5.7631 5.7631 5.8594 5.8814 5.9064 5.9064 6.3767 6.3767 6.8035 6.8035 7.2543 7.2548 7.2548 7.2582 8.5163 8.5163 8.5369 8.5544 9.1065 9.1065 9.2642 9.2740 9.3180 9.3180 k = 0.0000 0.0000 0.3735 ( 21428 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6711 -34.6711 -34.6428 -34.6428 -34.6428 -34.6428 -15.7056 -15.7056 -15.6994 -15.6985 -15.6073 -15.6073 -14.3471 -14.3471 -14.3386 -14.3386 -14.2429 -14.2418 -14.1949 -14.1949 -14.1606 -14.1606 -14.0851 -14.0850 0.0818 0.0818 1.1164 1.1164 1.3985 1.3985 5.2658 5.2738 5.2738 5.2905 5.6593 5.6593 5.8669 5.8922 5.9130 5.9130 6.3867 6.3867 6.7014 6.7014 7.2032 7.2046 7.2046 7.2072 8.5189 8.5189 8.5401 8.5572 9.1963 9.1963 9.2872 9.2953 9.3407 9.3407 k = 0.0000 0.0000 0.3955 ( 21458 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6710 -34.6710 -34.6427 -34.6427 -34.6427 -34.6427 -15.7060 -15.7060 -15.6999 -15.6990 -15.6082 -15.6082 -14.3468 -14.3468 -14.3388 -14.3388 -14.2446 -14.2435 -14.1966 -14.1966 -14.1624 -14.1624 -14.0852 -14.0851 0.1252 0.1252 1.1299 1.1299 1.3791 1.3791 5.3155 5.3257 5.3257 5.3433 5.5572 5.5572 5.8763 5.9053 5.9215 5.9215 6.3967 6.3967 6.6008 6.6008 7.1533 7.1558 7.1558 7.1575 8.5202 8.5202 8.5420 8.5586 9.2868 9.2868 9.3087 9.3147 9.3616 9.3616 k = 0.0000 0.0000 0.4175 ( 21452 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6709 -34.6709 -34.6426 -34.6426 -34.6426 -34.6426 -15.7064 -15.7064 -15.7004 -15.6995 -15.6092 -15.6092 -14.3466 -14.3466 -14.3390 -14.3390 -14.2463 -14.2451 -14.1982 -14.1982 -14.1642 -14.1642 -14.0853 -14.0852 0.1703 0.1703 1.1433 1.1433 1.3598 1.3598 5.3648 5.3774 5.3774 5.3960 5.4572 5.4572 5.8882 5.9213 5.9324 5.9324 6.4067 6.4067 6.5024 6.5024 7.1048 7.1086 7.1086 7.1093 8.5199 8.5199 8.5423 8.5583 9.3285 9.3319 9.3695 9.3695 9.3886 9.3886 k = 0.0000 0.0000 0.4394 ( 21482 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6708 -34.6708 -34.6425 -34.6425 -34.6425 -34.6425 -15.7067 -15.7067 -15.7009 -15.7000 -15.6101 -15.6101 -14.3464 -14.3464 -14.3392 -14.3392 -14.2480 -14.2469 -14.1999 -14.1999 -14.1659 -14.1659 -14.0854 -14.0853 0.2168 0.2168 1.1564 1.1564 1.3406 1.3406 5.3584 5.3584 5.4128 5.4293 5.4293 5.4476 5.9034 5.9408 5.9463 5.9463 6.4045 6.4045 6.4185 6.4185 7.0579 7.0628 7.0632 7.0632 8.5176 8.5176 8.5405 8.5559 9.3464 9.3466 9.3920 9.3920 9.4739 9.4739 k = 0.0000 0.0000 0.4614 ( 21482 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6707 -34.6707 -34.6424 -34.6424 -34.6424 -34.6424 -15.7071 -15.7071 -15.7014 -15.7005 -15.6111 -15.6111 -14.3462 -14.3462 -14.3395 -14.3395 -14.2497 -14.2486 -14.2015 -14.2015 -14.1677 -14.1677 -14.0854 -14.0854 0.2646 0.2646 1.1689 1.1689 1.3217 1.3217 5.2632 5.2632 5.4585 5.4779 5.4779 5.4968 5.9230 5.9642 5.9642 5.9647 6.3125 6.3125 6.4270 6.4270 7.0127 7.0183 7.0199 7.0199 8.5129 8.5129 8.5363 8.5509 9.3584 9.3620 9.4040 9.4040 9.5668 9.5668 k = 0.0000 0.0000 0.4834 ( 21482 PWs) bands (ev): -37.4707 -37.4707 -37.4588 -37.4588 -37.4588 -37.4588 -34.6705 -34.6705 -34.6423 -34.6423 -34.6423 -34.6423 -15.7075 -15.7075 -15.7019 -15.7010 -15.6120 -15.6120 -14.3460 -14.3460 -14.3397 -14.3397 -14.2513 -14.2502 -14.2031 -14.2031 -14.1694 -14.1694 -14.0855 -14.0854 0.3136 0.3136 1.1807 1.1807 1.3032 1.3032 5.1705 5.1705 5.5009 5.5233 5.5233 5.5421 5.9480 5.9872 5.9872 5.9938 6.2224 6.2224 6.4367 6.4367 6.9695 6.9759 6.9786 6.9786 8.5053 8.5053 8.5293 8.5429 9.3673 9.3752 9.4120 9.4120 9.6605 9.6605 k = 0.0000 0.0000 0.5053 ( 21482 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6704 -34.6704 -34.6421 -34.6421 -34.6421 -34.6421 -15.7078 -15.7078 -15.7023 -15.7015 -15.6129 -15.6129 -14.3459 -14.3459 -14.3400 -14.3400 -14.2530 -14.2519 -14.2046 -14.2046 -14.1710 -14.1710 -14.0856 -14.0855 0.3634 0.3634 1.1915 1.1915 1.2853 1.2853 5.0810 5.0810 5.5391 5.5642 5.5642 5.5823 5.9796 6.0161 6.0161 6.0286 6.1358 6.1358 6.4462 6.4462 6.9283 6.9357 6.9396 6.9396 8.4946 8.4946 8.5190 8.5317 9.3730 9.3856 9.4159 9.4159 9.7534 9.7534 k = 0.0000 0.0000 0.5273 ( 21470 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6703 -34.6703 -34.6420 -34.6420 -34.6420 -34.6420 -15.7082 -15.7082 -15.7028 -15.7020 -15.6138 -15.6138 -14.3457 -14.3457 -14.3402 -14.3402 -14.2546 -14.2535 -14.2061 -14.2061 -14.1726 -14.1726 -14.0856 -14.0855 0.4139 0.4139 1.2012 1.2012 1.2680 1.2680 4.9948 4.9948 5.5726 5.5994 5.5994 5.6163 6.0182 6.0472 6.0472 6.0572 6.0572 6.0694 6.4555 6.4555 6.8892 6.8980 6.9030 6.9030 8.4803 8.4803 8.5052 8.5167 9.3757 9.3932 9.4157 9.4157 9.8208 9.8280 k = 0.0000 0.0000 0.5493 ( 21476 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6702 -34.6702 -34.6419 -34.6419 -34.6419 -34.6419 -15.7085 -15.7085 -15.7032 -15.7024 -15.6147 -15.6147 -14.3456 -14.3456 -14.3405 -14.3405 -14.2561 -14.2551 -14.2075 -14.2075 -14.1740 -14.1740 -14.0856 -14.0856 0.4649 0.4649 1.2093 1.2093 1.2516 1.2516 4.9125 4.9125 5.6011 5.6287 5.6287 5.6439 5.9736 5.9736 6.0639 6.0942 6.0942 6.1159 6.4645 6.4645 6.8524 6.8627 6.8688 6.8688 8.4623 8.4623 8.4875 8.4978 9.3756 9.3979 9.4118 9.4118 9.7845 9.8197 k = 0.0000 0.0000 0.5713 ( 21470 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6701 -34.6701 -34.6418 -34.6418 -34.6418 -34.6418 -15.7088 -15.7088 -15.7036 -15.7029 -15.6155 -15.6155 -14.3454 -14.3454 -14.3408 -14.3408 -14.2576 -14.2566 -14.2089 -14.2089 -14.1755 -14.1755 -14.0857 -14.0856 0.5162 0.5162 1.2153 1.2153 1.2364 1.2364 4.8342 4.8342 5.6249 5.6521 5.6521 5.6656 5.8992 5.8992 6.1154 6.1423 6.1423 6.1676 6.4732 6.4732 6.8179 6.8302 6.8370 6.8370 8.4405 8.4405 8.4658 8.4750 9.3730 9.3997 9.4045 9.4045 9.7528 9.7988 k = 0.0000 0.0000 0.5932 ( 21494 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6700 -34.6700 -34.6418 -34.6418 -34.6418 -34.6418 -15.7091 -15.7091 -15.7040 -15.7033 -15.6163 -15.6163 -14.3453 -14.3453 -14.3410 -14.3410 -14.2589 -14.2580 -14.2101 -14.2101 -14.1768 -14.1768 -14.0857 -14.0856 0.5674 0.5674 1.2159 1.2159 1.2258 1.2258 4.7604 4.7604 5.6445 5.6703 5.6703 5.6823 5.8295 5.8295 6.1715 6.1953 6.1953 6.2234 6.4816 6.4816 6.7858 6.8005 6.8078 6.8078 8.4148 8.4148 8.4402 8.4482 9.3686 9.3949 9.3949 9.3989 9.7255 9.7804 k = 0.0000 0.0000 0.6152 ( 21500 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6699 -34.6699 -34.6417 -34.6417 -34.6417 -34.6417 -15.7094 -15.7094 -15.7044 -15.7037 -15.6170 -15.6170 -14.3452 -14.3452 -14.3413 -14.3413 -14.2602 -14.2594 -14.2113 -14.2113 -14.1780 -14.1780 -14.0857 -14.0857 0.6182 0.6182 1.2052 1.2052 1.2254 1.2254 4.6915 4.6915 5.6606 5.6842 5.6842 5.6950 5.7646 5.7646 6.2303 6.2515 6.2515 6.2822 6.4899 6.4899 6.7561 6.7739 6.7813 6.7813 8.3855 8.3855 8.4109 8.4177 9.3631 9.3836 9.3836 9.3958 9.7026 9.7631 k = 0.0000 0.0000 0.6372 ( 21530 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6699 -34.6699 -34.6416 -34.6416 -34.6416 -34.6416 -15.7097 -15.7097 -15.7047 -15.7041 -15.6177 -15.6177 -14.3451 -14.3451 -14.3415 -14.3415 -14.2614 -14.2606 -14.2124 -14.2124 -14.1791 -14.1791 -14.0857 -14.0857 0.6684 0.6684 1.1929 1.1929 1.2252 1.2252 4.6277 4.6277 5.6738 5.6948 5.6948 5.7046 5.7050 5.7050 6.2901 6.3092 6.3092 6.3425 6.4981 6.4981 6.7289 6.7505 6.7573 6.7573 8.3531 8.3531 8.3784 8.3841 9.3569 9.3717 9.3717 9.3909 9.6838 9.7429 k = 0.0000 0.0000 0.6591 ( 21542 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6698 -34.6698 -34.6415 -34.6415 -34.6415 -34.6415 -15.7100 -15.7100 -15.7050 -15.7045 -15.6183 -15.6183 -14.3451 -14.3451 -14.3418 -14.3418 -14.2625 -14.2618 -14.2134 -14.2134 -14.1802 -14.1802 -14.0857 -14.0857 0.7176 0.7176 1.1814 1.1814 1.2228 1.2228 4.5694 4.5694 5.6508 5.6508 5.6846 5.7027 5.7027 5.7118 6.3492 6.3661 6.3661 6.4031 6.5068 6.5068 6.7041 6.7308 6.7361 6.7361 8.3183 8.3183 8.3434 8.3480 9.3508 9.3598 9.3598 9.3846 9.6687 9.7249 k = 0.0000 0.0000 0.6811 ( 21572 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6697 -34.6697 -34.6415 -34.6415 -34.6415 -34.6415 -15.7102 -15.7102 -15.7053 -15.7048 -15.6189 -15.6189 -14.3450 -14.3450 -14.3420 -14.3420 -14.2635 -14.2628 -14.2142 -14.2142 -14.1811 -14.1811 -14.0857 -14.0857 0.7654 0.7654 1.1711 1.1711 1.2179 1.2179 4.5171 4.5171 5.6024 5.6024 5.6935 5.7085 5.7085 5.7172 6.4056 6.4191 6.4191 6.4626 6.5175 6.5175 6.6819 6.7151 6.7176 6.7176 8.2820 8.2820 8.3068 8.3106 9.3452 9.3486 9.3486 9.3775 9.6569 9.7089 k = 0.0000 0.0000 0.7031 ( 21578 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6697 -34.6697 -34.6414 -34.6414 -34.6414 -34.6414 -15.7104 -15.7104 -15.7055 -15.7051 -15.6194 -15.6194 -14.3449 -14.3449 -14.3422 -14.3422 -14.2643 -14.2638 -14.2150 -14.2150 -14.1819 -14.1819 -14.0857 -14.0857 0.8113 0.8113 1.1620 1.1620 1.2103 1.2103 4.4709 4.4709 5.5599 5.5599 5.7008 5.7128 5.7128 5.7210 6.4570 6.4623 6.4623 6.5195 6.5344 6.5344 6.6622 6.7021 6.7021 6.7043 8.2455 8.2455 8.2700 8.2729 9.3383 9.3383 9.3403 9.3701 9.6480 9.6947 k = 0.0000 0.0000 0.7251 ( 21542 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6696 -34.6696 -34.6414 -34.6414 -34.6414 -34.6414 -15.7105 -15.7105 -15.7057 -15.7054 -15.6198 -15.6198 -14.3449 -14.3449 -14.3424 -14.3424 -14.2651 -14.2646 -14.2157 -14.2157 -14.1825 -14.1825 -14.0857 -14.0857 0.8549 0.8549 1.1543 1.1543 1.2001 1.2001 4.4313 4.4313 5.5235 5.5235 5.7069 5.7160 5.7160 5.7236 6.4883 6.4883 6.5010 6.5627 6.5627 6.5723 6.6449 6.6900 6.6900 6.6992 8.2102 8.2102 8.2344 8.2366 9.3294 9.3294 9.3365 9.3627 9.6417 9.6821 k = 0.0000 0.0000 0.7470 ( 21548 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6696 -34.6696 -34.6413 -34.6413 -34.6413 -34.6413 -15.7107 -15.7107 -15.7059 -15.7056 -15.6202 -15.6202 -14.3449 -14.3449 -14.3425 -14.3425 -14.2656 -14.2653 -14.2162 -14.2162 -14.1831 -14.1831 -14.0857 -14.0857 0.8954 0.8954 1.1478 1.1478 1.1876 1.1876 4.3984 4.3984 5.4935 5.4935 5.7119 5.7182 5.7182 5.7252 6.5009 6.5009 6.5351 6.5960 6.5960 6.6193 6.6301 6.6823 6.6823 6.7008 8.1778 8.1778 8.2017 8.2033 9.3219 9.3219 9.3338 9.3557 9.6378 9.6710 k = 0.0000 0.0000 0.7690 ( 21488 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6413 -34.6413 -34.6413 -34.6413 -15.7108 -15.7108 -15.7060 -15.7058 -15.6205 -15.6205 -14.3448 -14.3448 -14.3426 -14.3426 -14.2661 -14.2658 -14.2166 -14.2166 -14.1835 -14.1835 -14.0857 -14.0857 0.9318 0.9318 1.1428 1.1428 1.1733 1.1733 4.3726 4.3726 5.4699 5.4699 5.7160 5.7198 5.7198 5.7260 6.5075 6.5075 6.5584 6.6173 6.6223 6.6223 6.6592 6.6816 6.6816 6.7080 8.1500 8.1500 8.1736 8.1748 9.3160 9.3160 9.3324 9.3493 9.6360 9.6614 k = 0.0000 0.0000 0.7910 ( 21518 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6413 -34.6413 -34.6413 -34.6413 -15.7109 -15.7109 -15.7061 -15.7059 -15.6207 -15.6207 -14.3448 -14.3448 -14.3427 -14.3427 -14.2664 -14.2662 -14.2169 -14.2169 -14.1838 -14.1838 -14.0857 -14.0857 0.9623 0.9623 1.1392 1.1392 1.1589 1.1589 4.3541 4.3541 5.4530 5.4530 5.7194 5.7208 5.7208 5.7260 6.5112 6.5112 6.5730 6.6068 6.6347 6.6347 6.6899 6.6899 6.6901 6.7171 8.1285 8.1285 8.1521 8.1528 9.3118 9.3118 9.3322 9.3437 9.6360 9.6532 k = 0.0000 0.0000 0.8129 ( 21530 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6413 -34.6413 -34.6413 -34.6413 -15.7109 -15.7109 -15.7061 -15.7060 -15.6208 -15.6208 -14.3448 -14.3448 -14.3427 -14.3427 -14.2666 -14.2665 -14.2171 -14.2171 -14.1840 -14.1840 -14.0857 -14.0857 0.9838 0.9838 1.1370 1.1370 1.1471 1.1471 4.3429 4.3429 5.4429 5.4429 5.7213 5.7213 5.7220 5.7253 6.5133 6.5133 6.5826 6.5980 6.6378 6.6378 6.7002 6.7002 6.7112 6.7232 8.1150 8.1150 8.1385 8.1389 9.3093 9.3093 9.3333 9.3391 9.6379 9.6466 k = 0.0000 0.0000 0.8349 ( 21494 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6412 -34.6412 -34.6412 -34.6412 -15.7109 -15.7109 -15.7061 -15.7061 -15.6208 -15.6208 -14.3448 -14.3448 -14.3428 -14.3428 -14.2666 -14.2666 -14.2172 -14.2172 -14.1841 -14.1841 -14.0857 -14.0857 0.9918 0.9918 1.1363 1.1363 1.1424 1.1424 4.3391 4.3391 5.4395 5.4395 5.7215 5.7215 5.7240 5.7240 6.5139 6.5139 6.5903 6.5903 6.6382 6.6382 6.7043 6.7043 6.7219 6.7219 8.1104 8.1104 8.1340 8.1340 9.3084 9.3084 9.3356 9.3356 9.6414 9.6414 k = 0.0000 0.0000 0.8349 ( 21494 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6412 -34.6412 -34.6412 -34.6412 -15.7109 -15.7109 -15.7061 -15.7061 -15.6208 -15.6208 -14.3448 -14.3448 -14.3428 -14.3428 -14.2666 -14.2666 -14.2172 -14.2172 -14.1841 -14.1841 -14.0857 -14.0857 0.9918 0.9918 1.1363 1.1363 1.1424 1.1424 4.3391 4.3391 5.4395 5.4395 5.7215 5.7215 5.7240 5.7240 6.5139 6.5139 6.5903 6.5903 6.6382 6.6382 6.7043 6.7043 6.7219 6.7219 8.1104 8.1104 8.1340 8.1340 9.3084 9.3084 9.3356 9.3356 9.6414 9.6414 k = 0.0192 0.0111 0.8349 ( 21506 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6413 -34.6413 -34.6412 -34.6412 -15.7109 -15.7109 -15.7060 -15.7060 -15.6209 -15.6209 -14.3451 -14.3451 -14.3423 -14.3423 -14.2666 -14.2666 -14.2173 -14.2173 -14.1841 -14.1841 -14.0859 -14.0859 0.9925 0.9925 1.1362 1.1362 1.1424 1.1424 4.3395 4.3395 5.4334 5.4334 5.7232 5.7234 5.7290 5.7293 6.5107 6.5108 6.5873 6.5874 6.6345 6.6345 6.7048 6.7048 6.7220 6.7220 8.1154 8.1154 8.1391 8.1391 9.3070 9.3070 9.3342 9.3343 9.6399 9.6403 k = 0.0385 0.0222 0.8349 ( 21532 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6694 -34.6694 -34.6413 -34.6413 -34.6412 -34.6412 -15.7108 -15.7107 -15.7059 -15.7059 -15.6211 -15.6211 -14.3457 -14.3454 -14.3414 -14.3411 -14.2665 -14.2665 -14.2176 -14.2176 -14.1841 -14.1841 -14.0864 -14.0864 0.9947 0.9947 1.1362 1.1362 1.1423 1.1423 4.3408 4.3408 5.4166 5.4166 5.7257 5.7263 5.7457 5.7462 6.5003 6.5011 6.5785 6.5793 6.6237 6.6237 6.7062 6.7065 6.7223 6.7225 8.1301 8.1303 8.1542 8.1543 9.3027 9.3028 9.3303 9.3304 9.6345 9.6374 k = 0.0577 0.0333 0.8349 ( 21516 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6693 -34.6693 -34.6415 -34.6415 -34.6412 -34.6412 -15.7106 -15.7105 -15.7057 -15.7056 -15.6214 -15.6214 -14.3463 -14.3455 -14.3404 -14.3395 -14.2664 -14.2663 -14.2181 -14.2180 -14.1842 -14.1841 -14.0873 -14.0872 0.9983 0.9983 1.1361 1.1361 1.1423 1.1423 4.3430 4.3430 5.3921 5.3922 5.7298 5.7306 5.7702 5.7710 6.4809 6.4834 6.5644 6.5670 6.6073 6.6073 6.7087 6.7095 6.7233 6.7240 8.1537 8.1541 8.1786 8.1788 9.2950 9.2954 9.3243 9.3247 9.6245 9.6332 k = 0.0769 0.0444 0.8349 ( 21526 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6691 -34.6691 -34.6416 -34.6416 -34.6412 -34.6412 -15.7104 -15.7102 -15.7055 -15.7052 -15.6219 -15.6218 -14.3469 -14.3454 -14.3392 -14.3375 -14.2662 -14.2661 -14.2188 -14.2187 -14.1843 -14.1840 -14.0884 -14.0883 1.0033 1.0033 1.1360 1.1360 1.1422 1.1422 4.3459 4.3459 5.3631 5.3631 5.7353 5.7364 5.7995 5.8007 6.4511 6.4559 6.5468 6.5521 6.5869 6.5869 6.7121 6.7140 6.7254 6.7272 8.1847 8.1849 8.2117 8.2118 9.2835 9.2842 9.3171 9.3179 9.6105 9.6279 k = 0.0962 0.0555 0.8349 ( 21520 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6689 -34.6689 -34.6418 -34.6418 -34.6413 -34.6413 -15.7101 -15.7097 -15.7051 -15.7047 -15.6224 -15.6224 -14.3473 -14.3449 -14.3381 -14.3353 -14.2659 -14.2658 -14.2197 -14.2196 -14.1844 -14.1839 -14.0900 -14.0897 1.0096 1.0096 1.1359 1.1359 1.1422 1.1422 4.3496 4.3497 5.3314 5.3315 5.7422 5.7437 5.8316 5.8331 6.4109 6.4180 6.5277 6.5356 6.5636 6.5636 6.7166 6.7202 6.7286 6.7322 8.2204 8.2213 8.2521 8.2536 9.2682 9.2691 9.3093 9.3105 9.5942 9.6218 k = 0.1154 0.0666 0.8349 ( 21516 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6687 -34.6687 -34.6421 -34.6421 -34.6413 -34.6413 -15.7099 -15.7093 -15.7046 -15.7039 -15.6231 -15.6231 -14.3477 -14.3442 -14.3368 -14.3328 -14.2657 -14.2654 -14.2207 -14.2206 -14.1847 -14.1838 -14.0918 -14.0914 1.0172 1.0172 1.1357 1.1357 1.1421 1.1421 4.3540 4.3542 5.2985 5.2986 5.7504 5.7522 5.8651 5.8670 6.3620 6.3710 6.5075 6.5175 6.5383 6.5385 6.7219 6.7279 6.7332 6.7391 8.2582 8.2609 8.2996 8.3034 9.2495 9.2506 9.3011 9.3025 9.5774 9.6153 k = 0.1346 0.0777 0.8349 ( 21522 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6684 -34.6684 -34.6423 -34.6423 -34.6413 -34.6413 -15.7097 -15.7088 -15.7040 -15.7030 -15.6239 -15.6239 -14.3479 -14.3432 -14.3356 -14.3301 -14.2653 -14.2649 -14.2220 -14.2218 -14.1850 -14.1837 -14.0940 -14.0934 1.0260 1.0260 1.1356 1.1356 1.1420 1.1420 4.3591 4.3593 5.2652 5.2654 5.7597 5.7617 5.8992 5.9017 6.3066 6.3169 6.4859 6.4967 6.5119 6.5130 6.7280 6.7360 6.7399 6.7477 8.2964 8.3013 8.3539 8.3604 9.2280 9.2291 9.2924 9.2941 9.5613 9.6086 k = 0.1538 0.0888 0.8349 ( 21522 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6681 -34.6681 -34.6427 -34.6427 -34.6413 -34.6413 -15.7095 -15.7083 -15.7032 -15.7020 -15.6249 -15.6248 -14.3480 -14.3420 -14.3345 -14.3271 -14.2650 -14.2643 -14.2234 -14.2231 -14.1854 -14.1835 -14.0964 -14.0956 1.0357 1.0358 1.1354 1.1354 1.1419 1.1419 4.3648 4.3651 5.2322 5.2324 5.7698 5.7722 5.9336 5.9366 6.2469 6.2580 6.4623 6.4720 6.4853 6.4887 6.7347 6.7428 6.7501 6.7578 8.3338 8.3409 8.4141 8.4233 9.2043 9.2054 9.2835 9.2853 9.5464 9.6018 k = 0.1731 0.0999 0.8349 ( 21522 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6677 -34.6677 -34.6430 -34.6430 -34.6413 -34.6413 -15.7093 -15.7078 -15.7023 -15.7007 -15.6259 -15.6258 -14.3479 -14.3404 -14.3333 -14.3238 -14.2645 -14.2636 -14.2249 -14.2246 -14.1859 -14.1834 -14.0991 -14.0979 1.0464 1.0465 1.1352 1.1352 1.1418 1.1418 4.3709 4.3714 5.1999 5.2000 5.7806 5.7833 5.9677 5.9715 6.1846 6.1962 6.4363 6.4441 6.4595 6.4657 6.7417 6.7494 6.7622 6.7692 8.3694 8.3784 8.4792 8.4910 9.1791 9.1800 9.2745 9.2763 9.5330 9.5942 k = 0.1923 0.1110 0.8349 ( 21514 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6673 -34.6673 -34.6434 -34.6434 -34.6413 -34.6413 -15.7091 -15.7074 -15.7012 -15.6994 -15.6271 -15.6269 -14.3478 -14.3387 -14.3322 -14.3204 -14.2640 -14.2627 -14.2266 -14.2262 -14.1866 -14.1832 -14.1021 -14.1005 1.0579 1.0579 1.1350 1.1350 1.1417 1.1418 4.3775 4.3781 5.1685 5.1687 5.7918 5.7948 6.0013 6.0063 6.1216 6.1329 6.4085 6.4149 6.4344 6.4426 6.7488 6.7560 6.7753 6.7814 8.4023 8.4132 8.5483 8.5627 9.1530 9.1536 9.2656 9.2673 9.5209 9.5855 k = 0.2115 0.1221 0.8349 ( 21500 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6669 -34.6669 -34.6439 -34.6439 -34.6413 -34.6413 -15.7089 -15.7071 -15.6999 -15.6979 -15.6283 -15.6281 -14.3475 -14.3366 -14.3312 -14.3168 -14.2635 -14.2617 -14.2283 -14.2280 -14.1873 -14.1831 -14.1053 -14.1032 1.0700 1.0700 1.1348 1.1348 1.1417 1.1418 4.3844 4.3851 5.1384 5.1385 5.8030 5.8063 6.0286 6.0407 6.0644 6.0696 6.3799 6.3856 6.4098 6.4192 6.7559 6.7626 6.7889 6.7941 8.4323 8.4447 8.6202 8.6372 9.1265 9.1268 9.2570 9.2585 9.5097 9.5753 k = 0.2308 0.1332 0.8349 ( 21506 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6664 -34.6664 -34.6443 -34.6443 -34.6413 -34.6413 -15.7087 -15.7068 -15.6984 -15.6962 -15.6297 -15.6294 -14.3471 -14.3344 -14.3303 -14.3130 -14.2629 -14.2606 -14.2302 -14.2299 -14.1882 -14.1830 -14.1086 -14.1060 1.0824 1.0824 1.1346 1.1347 1.1418 1.1419 4.3914 4.3924 5.1096 5.1097 5.8142 5.8178 5.9891 6.0058 6.0752 6.0764 6.3514 6.3567 6.3855 6.3953 6.7626 6.7687 6.8026 6.8068 8.4591 8.4729 8.6942 8.7138 9.1001 9.1003 9.2490 9.2504 9.4992 9.5638 k = 0.2500 0.1443 0.8349 ( 21502 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6659 -34.6659 -34.6448 -34.6448 -34.6413 -34.6413 -15.7085 -15.7066 -15.6968 -15.6945 -15.6312 -15.6309 -14.3466 -14.3321 -14.3293 -14.3091 -14.2624 -14.2594 -14.2321 -14.2318 -14.1891 -14.1830 -14.1121 -14.1089 1.0950 1.0950 1.1344 1.1345 1.1421 1.1422 4.3986 4.3998 5.0824 5.0825 5.8248 5.8286 5.9290 5.9446 6.1083 6.1112 6.3238 6.3288 6.3614 6.3713 6.7686 6.7742 6.8159 6.8190 8.4827 8.4976 8.7691 8.7913 9.0742 9.0747 9.2421 9.2431 9.4891 9.5512 k = 0.2692 0.1554 0.8349 ( 21510 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6654 -34.6654 -34.6454 -34.6454 -34.6413 -34.6413 -15.7083 -15.7064 -15.6951 -15.6927 -15.6327 -15.6323 -14.3460 -14.3303 -14.3277 -14.3051 -14.2618 -14.2581 -14.2340 -14.2338 -14.1902 -14.1830 -14.1156 -14.1118 1.1072 1.1073 1.1342 1.1344 1.1428 1.1430 4.4058 4.4072 5.0569 5.0570 5.8339 5.8377 5.8714 5.8864 6.1428 6.1462 6.2975 6.3022 6.3379 6.3475 6.7734 6.7785 6.8284 6.8306 8.5035 8.5192 8.8440 8.8688 9.0493 9.0503 9.2365 9.2371 9.4794 9.5380 k = 0.2885 0.1665 0.8349 ( 21520 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6648 -34.6648 -34.6459 -34.6459 -34.6413 -34.6413 -15.7081 -15.7062 -15.6933 -15.6909 -15.6344 -15.6339 -14.3453 -14.3294 -14.3252 -14.3011 -14.2612 -14.2566 -14.2359 -14.2357 -14.1914 -14.1832 -14.1192 -14.1148 1.1183 1.1185 1.1340 1.1344 1.1445 1.1447 4.4128 4.4144 5.0331 5.0331 5.8109 5.8224 5.8509 5.8517 6.1777 6.1808 6.2735 6.2772 6.3150 6.3243 6.7766 6.7812 6.8401 6.8412 8.5218 8.5379 8.9174 8.9448 9.0261 9.0275 9.2325 9.2326 9.4704 9.5252 k = 0.3077 0.1776 0.8349 ( 21510 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6643 -34.6643 -34.6465 -34.6465 -34.6413 -34.6413 -15.7079 -15.7060 -15.6914 -15.6889 -15.6361 -15.6355 -14.3446 -14.3290 -14.3222 -14.2970 -14.2609 -14.2552 -14.2377 -14.2376 -14.1926 -14.1836 -14.1227 -14.1177 1.1266 1.1272 1.1339 1.1346 1.1486 1.1487 4.4197 4.4214 5.0111 5.0112 5.7588 5.7723 5.8565 5.8597 6.2118 6.2121 6.2543 6.2549 6.2936 6.3026 6.7777 6.7818 6.8506 6.8507 8.5379 8.5542 8.9860 9.0057 9.0066 9.0185 9.2300 9.2306 9.4631 9.5137 k = 0.3269 0.1887 0.8349 ( 21504 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6637 -34.6637 -34.6470 -34.6470 -34.6413 -34.6413 -15.7077 -15.7059 -15.6894 -15.6870 -15.6378 -15.6372 -14.3437 -14.3288 -14.3189 -14.2931 -14.2607 -14.2538 -14.2394 -14.2391 -14.1940 -14.1841 -14.1261 -14.1205 1.1307 1.1319 1.1338 1.1351 1.1561 1.1562 4.4262 4.4281 4.9911 4.9911 5.7098 5.7230 5.8642 5.8676 6.2173 6.2295 6.2468 6.2590 6.2784 6.2861 6.7761 6.7798 6.8592 6.8599 8.5522 8.5683 8.9837 8.9868 9.0550 9.0859 9.2295 9.2308 9.4589 9.5055 k = 0.3462 0.1999 0.8349 ( 21484 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6631 -34.6631 -34.6476 -34.6476 -34.6413 -34.6413 -15.7075 -15.7058 -15.6874 -15.6851 -15.6396 -15.6389 -14.3428 -14.3289 -14.3154 -14.2892 -14.2611 -14.2526 -14.2407 -14.2401 -14.1953 -14.1849 -14.1292 -14.1233 1.1321 1.1332 1.1344 1.1356 1.1657 1.1657 4.4322 4.4342 4.9730 4.9731 5.6649 5.6775 5.8713 5.8747 6.2020 6.2118 6.2493 6.2495 6.2984 6.3019 6.7712 6.7747 6.8668 6.8680 8.5649 8.5806 8.9664 8.9695 9.1126 9.1454 9.2310 9.2335 9.4599 9.5027 k = 0.3654 0.2110 0.8349 ( 21476 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6626 -34.6626 -34.6482 -34.6482 -34.6413 -34.6413 -15.7073 -15.7058 -15.6854 -15.6832 -15.6413 -15.6406 -14.3418 -14.3291 -14.3118 -14.2855 -14.2619 -14.2520 -14.2415 -14.2405 -14.1967 -14.1860 -14.1320 -14.1260 1.1325 1.1333 1.1352 1.1360 1.1756 1.1757 4.4378 4.4398 4.9570 4.9570 5.6247 5.6364 5.8776 5.8809 6.1858 6.1946 6.2321 6.2340 6.3324 6.3380 6.7627 6.7661 6.8735 6.8751 8.5764 8.5912 8.9510 8.9542 9.1593 9.1929 9.2349 9.2386 9.4688 9.5085 k = 0.3846 0.2221 0.8349 ( 21464 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6620 -34.6620 -34.6487 -34.6487 -34.6413 -34.6413 -15.7071 -15.7057 -15.6834 -15.6813 -15.6430 -15.6423 -14.3407 -14.3294 -14.3081 -14.2821 -14.2634 -14.2522 -14.2415 -14.2403 -14.1980 -14.1874 -14.1344 -14.1284 1.1326 1.1332 1.1355 1.1361 1.1850 1.1851 4.4428 4.4447 4.9430 4.9430 5.5894 5.6000 5.8831 5.8862 6.1713 6.1795 6.2162 6.2177 6.3696 6.3755 6.7504 6.7539 6.8795 6.8813 8.5867 8.6003 8.9378 8.9409 9.1923 9.2241 9.2423 9.2459 9.4875 9.5248 k = 0.4038 0.2332 0.8349 ( 21460 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6615 -34.6615 -34.6492 -34.6492 -34.6413 -34.6413 -15.7069 -15.7057 -15.6815 -15.6796 -15.6447 -15.6439 -14.3396 -14.3299 -14.3042 -14.2791 -14.2653 -14.2532 -14.2407 -14.2395 -14.1992 -14.1891 -14.1364 -14.1308 1.1327 1.1331 1.1357 1.1361 1.1935 1.1935 4.4471 4.4490 4.9311 4.9312 5.5593 5.5686 5.8877 5.8904 6.1591 6.1665 6.2021 6.2030 6.4074 6.4134 6.7343 6.7379 6.8846 6.8864 8.5959 8.6080 8.9267 8.9296 9.2125 9.2375 9.2541 9.2542 9.5154 9.5504 k = 0.4231 0.2443 0.8349 ( 21450 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6610 -34.6610 -34.6497 -34.6497 -34.6413 -34.6413 -15.7067 -15.7058 -15.6798 -15.6781 -15.6462 -15.6454 -14.3385 -14.3306 -14.3003 -14.2769 -14.2671 -14.2547 -14.2395 -14.2384 -14.2001 -14.1911 -14.1378 -14.1328 1.1327 1.1330 1.1358 1.1361 1.2007 1.2007 4.4508 4.4524 4.9214 4.9214 5.5347 5.5424 5.8915 5.8938 6.1492 6.1557 6.1902 6.1904 6.4452 6.4511 6.7145 6.7184 6.8890 6.8906 8.6039 8.6141 8.9177 8.9203 9.2240 9.2431 9.2617 9.2632 9.5485 9.5806 k = 0.4423 0.2554 0.8349 ( 21448 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6606 -34.6606 -34.6501 -34.6501 -34.6413 -34.6413 -15.7065 -15.7058 -15.6782 -15.6768 -15.6474 -15.6468 -14.3374 -14.3313 -14.2964 -14.2765 -14.2678 -14.2565 -14.2381 -14.2372 -14.2007 -14.1933 -14.1387 -14.1347 1.1327 1.1330 1.1358 1.1361 1.2065 1.2065 4.4537 4.4550 4.9138 4.9138 5.5157 5.5216 5.8945 5.8963 6.1418 6.1471 6.1804 6.1806 6.4821 6.4878 6.6917 6.6958 6.8926 6.8939 8.6107 8.6187 8.9108 8.9129 9.2306 9.2453 9.2678 9.2688 9.5819 9.6094 k = 0.4615 0.2665 0.8349 ( 21462 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6603 -34.6603 -34.6504 -34.6504 -34.6413 -34.6413 -15.7064 -15.7059 -15.6769 -15.6759 -15.6484 -15.6479 -14.3363 -14.3322 -14.2924 -14.2783 -14.2667 -14.2585 -14.2369 -14.2362 -14.2007 -14.1954 -14.1391 -14.1363 1.1328 1.1329 1.1358 1.1360 1.2107 1.2107 4.4559 4.4568 4.9084 4.9084 5.5023 5.5064 5.8968 5.8980 6.1368 6.1406 6.1732 6.1735 6.5173 6.5225 6.6668 6.6709 6.8953 6.8962 8.6161 8.6216 8.9061 8.9076 9.2345 9.2446 9.2724 9.2729 9.6113 9.6318 k = 0.4808 0.2776 0.8349 ( 21462 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6601 -34.6601 -34.6506 -34.6506 -34.6413 -34.6413 -15.7062 -15.7060 -15.6759 -15.6754 -15.6490 -15.6487 -14.3352 -14.3331 -14.2885 -14.2813 -14.2648 -14.2605 -14.2360 -14.2357 -14.2002 -14.1974 -14.1390 -14.1375 1.1328 1.1329 1.1358 1.1359 1.2133 1.2133 4.4574 4.4578 4.9051 4.9051 5.4947 5.4968 5.8982 5.8989 6.1343 6.1363 6.1689 6.1691 6.5483 6.5523 6.6428 6.6462 6.8970 6.8974 8.6200 8.6228 8.9034 8.9042 9.2373 9.2425 9.2755 9.2756 9.6330 9.6441 k = 0.5000 0.2887 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7061 -15.7061 -15.6754 -15.6754 -15.6491 -15.6491 -14.3341 -14.3341 -14.2848 -14.2848 -14.2627 -14.2627 -14.2356 -14.2356 -14.1991 -14.1991 -14.1384 -14.1384 1.1328 1.1328 1.1359 1.1359 1.2141 1.2141 4.4580 4.4580 4.9040 4.9040 5.4928 5.4928 5.8989 5.8989 6.1341 6.1341 6.1676 6.1676 6.5653 6.5653 6.6315 6.6315 6.8977 6.8977 8.6222 8.6222 8.9028 8.9028 9.2398 9.2398 9.2766 9.2766 9.6445 9.6445 k = 0.5000 0.2887 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7061 -15.7061 -15.6754 -15.6754 -15.6491 -15.6491 -14.3341 -14.3341 -14.2848 -14.2848 -14.2627 -14.2627 -14.2356 -14.2356 -14.1991 -14.1991 -14.1384 -14.1384 1.1328 1.1328 1.1359 1.1359 1.2141 1.2141 4.4580 4.4580 4.9040 4.9040 5.4928 5.4928 5.8989 5.8989 6.1341 6.1341 6.1676 6.1676 6.5653 6.5653 6.6315 6.6315 6.8977 6.8977 8.6222 8.6222 8.9028 8.9028 9.2398 9.2398 9.2766 9.2766 9.6445 9.6445 k = 0.4889 0.3079 0.8349 ( 21456 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7061 -15.7061 -15.6753 -15.6753 -15.6491 -15.6491 -14.3340 -14.3340 -14.2849 -14.2849 -14.2627 -14.2627 -14.2355 -14.2355 -14.1990 -14.1990 -14.1386 -14.1386 1.1328 1.1328 1.1359 1.1359 1.2144 1.2144 4.4597 4.4597 4.9034 4.9034 5.4867 5.4867 5.9011 5.9011 6.1345 6.1345 6.1702 6.1702 6.5647 6.5647 6.6274 6.6274 6.9012 6.9012 8.6251 8.6251 8.9043 8.9043 9.2395 9.2395 9.2755 9.2755 9.6452 9.6452 k = 0.4778 0.3272 0.8349 ( 21446 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6599 -34.6599 -34.6508 -34.6508 -34.6413 -34.6413 -15.7060 -15.7060 -15.6752 -15.6752 -15.6493 -15.6493 -14.3338 -14.3338 -14.2852 -14.2852 -14.2627 -14.2627 -14.2352 -14.2352 -14.1989 -14.1989 -14.1390 -14.1390 1.1328 1.1328 1.1359 1.1359 1.2151 1.2151 4.4648 4.4648 4.9018 4.9018 5.4687 5.4687 5.9076 5.9076 6.1358 6.1358 6.1775 6.1775 6.5630 6.5630 6.6157 6.6157 6.9112 6.9112 8.6336 8.6336 8.9087 8.9087 9.2383 9.2383 9.2724 9.2724 9.6471 9.6471 k = 0.4667 0.3464 0.8349 ( 21444 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6598 -34.6598 -34.6509 -34.6509 -34.6413 -34.6413 -15.7059 -15.7059 -15.6749 -15.6749 -15.6496 -15.6496 -14.3333 -14.3333 -14.2857 -14.2857 -14.2627 -14.2627 -14.2348 -14.2348 -14.1987 -14.1987 -14.1397 -14.1397 1.1328 1.1328 1.1358 1.1358 1.2164 1.2164 4.4732 4.4732 4.8991 4.8991 5.4403 5.4403 5.9184 5.9184 6.1378 6.1378 6.1884 6.1884 6.5601 6.5601 6.5980 6.5980 6.9260 6.9260 8.6475 8.6475 8.9161 8.9161 9.2362 9.2362 9.2674 9.2674 9.6501 9.6501 k = 0.4556 0.3657 0.8349 ( 21428 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6597 -34.6597 -34.6510 -34.6510 -34.6413 -34.6413 -15.7058 -15.7058 -15.6745 -15.6745 -15.6501 -15.6501 -14.3327 -14.3327 -14.2863 -14.2863 -14.2628 -14.2628 -14.2342 -14.2342 -14.1984 -14.1984 -14.1406 -14.1406 1.1328 1.1328 1.1358 1.1358 1.2180 1.2180 4.4850 4.4850 4.8956 4.8956 5.4033 5.4033 5.9332 5.9332 6.1406 6.1406 6.2013 6.2013 6.5561 6.5561 6.5760 6.5760 6.9438 6.9438 8.6665 8.6665 8.9261 8.9261 9.2330 9.2330 9.2613 9.2613 9.6539 9.6539 k = 0.4444 0.3849 0.8349 ( 21440 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6595 -34.6595 -34.6512 -34.6512 -34.6413 -34.6413 -15.7056 -15.7056 -15.6741 -15.6741 -15.6506 -15.6506 -14.3319 -14.3319 -14.2871 -14.2871 -14.2630 -14.2630 -14.2334 -14.2334 -14.1980 -14.1980 -14.1417 -14.1417 1.1329 1.1329 1.1358 1.1358 1.2201 1.2201 4.5001 4.5001 4.8913 4.8913 5.3594 5.3594 5.9518 5.9518 6.1442 6.1442 6.2145 6.2145 6.5489 6.5489 6.5533 6.5533 6.9632 6.9632 8.6901 8.6901 8.9387 8.9387 9.2278 9.2278 9.2550 9.2550 9.6581 9.6581 k = 0.4333 0.4041 0.8349 ( 21440 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6592 -34.6592 -34.6515 -34.6515 -34.6413 -34.6413 -15.7054 -15.7054 -15.6735 -15.6735 -15.6513 -15.6513 -14.3310 -14.3310 -14.2879 -14.2879 -14.2632 -14.2632 -14.2325 -14.2325 -14.1976 -14.1976 -14.1430 -14.1430 1.1329 1.1329 1.1357 1.1357 1.2225 1.2225 4.5186 4.5186 4.8866 4.8866 5.3106 5.3106 5.9740 5.9740 6.1486 6.1486 6.2269 6.2269 6.5236 6.5236 6.5459 6.5459 6.9831 6.9831 8.7175 8.7175 8.9534 8.9534 9.2199 9.2199 9.2498 9.2498 9.6622 9.6622 k = 0.4222 0.4234 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6589 -34.6589 -34.6518 -34.6518 -34.6413 -34.6413 -15.7053 -15.7053 -15.6727 -15.6727 -15.6521 -15.6521 -14.3300 -14.3300 -14.2888 -14.2888 -14.2635 -14.2635 -14.2314 -14.2314 -14.1972 -14.1972 -14.1445 -14.1445 1.1329 1.1329 1.1356 1.1356 1.2251 1.2251 4.5403 4.5403 4.8815 4.8815 5.2582 5.2582 5.9995 5.9995 6.1538 6.1538 6.2373 6.2373 6.4955 6.4955 6.5391 6.5391 7.0026 7.0026 8.7478 8.7478 8.9700 8.9700 9.2092 9.2092 9.2463 9.2463 9.6653 9.6653 k = 0.4111 0.4426 0.8349 ( 21448 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6586 -34.6586 -34.6521 -34.6521 -34.6413 -34.6413 -15.7051 -15.7051 -15.6719 -15.6719 -15.6531 -15.6531 -14.3290 -14.3290 -14.2896 -14.2896 -14.2639 -14.2639 -14.2303 -14.2303 -14.1968 -14.1968 -14.1461 -14.1461 1.1330 1.1330 1.1356 1.1356 1.2278 1.2278 4.5653 4.5653 4.8763 4.8763 5.2035 5.2035 6.0278 6.0278 6.1597 6.1597 6.2453 6.2453 6.4665 6.4665 6.5317 6.5317 7.0211 7.0211 8.7800 8.7800 8.9880 8.9880 9.1963 9.1963 9.2443 9.2443 9.6668 9.6668 k = 0.4000 0.4619 0.8349 ( 21456 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6582 -34.6582 -34.6525 -34.6525 -34.6413 -34.6413 -15.7049 -15.7049 -15.6709 -15.6709 -15.6541 -15.6541 -14.3279 -14.3279 -14.2905 -14.2905 -14.2643 -14.2643 -14.2291 -14.2291 -14.1964 -14.1964 -14.1477 -14.1477 1.1330 1.1330 1.1354 1.1354 1.2306 1.2306 4.5935 4.5935 4.8712 4.8712 5.1476 5.1476 6.0585 6.0585 6.1664 6.1664 6.2503 6.2503 6.4371 6.4371 6.5239 6.5239 7.0380 7.0380 8.8126 8.8126 9.0069 9.0069 9.1823 9.1823 9.2433 9.2433 9.6656 9.6656 k = 0.3889 0.4811 0.8349 ( 21452 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6578 -34.6578 -34.6529 -34.6529 -34.6413 -34.6413 -15.7047 -15.7047 -15.6699 -15.6699 -15.6553 -15.6553 -14.3268 -14.3268 -14.2912 -14.2912 -14.2647 -14.2647 -14.2278 -14.2278 -14.1961 -14.1961 -14.1493 -14.1493 1.1331 1.1331 1.1353 1.1353 1.2333 1.2333 4.6248 4.6248 4.8665 4.8665 5.0915 5.0915 6.0912 6.0912 6.1737 6.1737 6.2523 6.2523 6.4076 6.4076 6.5156 6.5156 7.0530 7.0530 8.8441 8.8441 9.0262 9.0262 9.1677 9.1677 9.2432 9.2432 9.6608 9.6608 k = 0.3778 0.5004 0.8349 ( 21456 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6574 -34.6574 -34.6533 -34.6533 -34.6413 -34.6413 -15.7046 -15.7046 -15.6687 -15.6687 -15.6565 -15.6565 -14.3258 -14.3258 -14.2919 -14.2919 -14.2652 -14.2652 -14.2267 -14.2267 -14.1958 -14.1958 -14.1507 -14.1507 1.1332 1.1332 1.1352 1.1352 1.2358 1.2358 4.6592 4.6592 4.8622 4.8622 5.0358 5.0358 6.1252 6.1252 6.1817 6.1817 6.2513 6.2513 6.3780 6.3780 6.5074 6.5074 7.0658 7.0658 8.8727 8.8727 9.0451 9.0451 9.1532 9.1532 9.2438 9.2438 9.6529 9.6529 k = 0.3667 0.5196 0.8349 ( 21444 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6569 -34.6569 -34.6538 -34.6538 -34.6414 -34.6414 -15.7045 -15.7045 -15.6674 -15.6674 -15.6579 -15.6579 -14.3250 -14.3250 -14.2924 -14.2924 -14.2656 -14.2656 -14.2256 -14.2256 -14.1956 -14.1956 -14.1520 -14.1520 1.1332 1.1332 1.1351 1.1351 1.2380 1.2380 4.6966 4.6966 4.8586 4.8586 4.9812 4.9812 6.1598 6.1598 6.1905 6.1905 6.2477 6.2477 6.3487 6.3487 6.4994 6.4994 7.0760 7.0760 8.8969 8.8969 9.0629 9.0629 9.1394 9.1394 9.2448 9.2448 9.6439 9.6439 k = 0.3556 0.5389 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6564 -34.6564 -34.6543 -34.6543 -34.6414 -34.6414 -15.7044 -15.7044 -15.6659 -15.6659 -15.6593 -15.6593 -14.3243 -14.3243 -14.2927 -14.2927 -14.2660 -14.2660 -14.2248 -14.2248 -14.1955 -14.1955 -14.1530 -14.1530 1.1333 1.1333 1.1350 1.1350 1.2397 1.2397 4.7368 4.7368 4.8556 4.8556 4.9285 4.9285 6.1925 6.1925 6.2009 6.2009 6.2422 6.2422 6.3197 6.3197 6.4923 6.4923 7.0834 7.0834 8.9149 8.9149 9.0788 9.0788 9.1267 9.1267 9.2460 9.2460 9.6367 9.6367 k = 0.3444 0.5581 0.8349 ( 21444 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6559 -34.6559 -34.6548 -34.6548 -34.6414 -34.6414 -15.7043 -15.7043 -15.6645 -15.6645 -15.6608 -15.6608 -14.3239 -14.3239 -14.2929 -14.2929 -14.2662 -14.2662 -14.2242 -14.2242 -14.1955 -14.1955 -14.1536 -14.1536 1.1333 1.1333 1.1349 1.1349 1.2408 1.2408 4.7796 4.7796 4.8523 4.8523 4.8795 4.8795 6.2080 6.2080 6.2216 6.2216 6.2407 6.2407 6.2912 6.2912 6.4870 6.4870 7.0879 7.0879 8.9259 8.9259 9.0915 9.0915 9.1161 9.1161 9.2470 9.2470 9.6327 9.6327 k = 0.3333 0.5774 0.8349 ( 21438 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6553 -34.6553 -34.6553 -34.6553 -34.6414 -34.6414 -15.7043 -15.7043 -15.6635 -15.6635 -15.6618 -15.6618 -14.3238 -14.3238 -14.2929 -14.2929 -14.2663 -14.2663 -14.2240 -14.2240 -14.1955 -14.1955 -14.1538 -14.1538 1.1334 1.1334 1.1349 1.1349 1.2412 1.2412 4.8187 4.8187 4.8309 4.8309 4.8585 4.8585 6.2160 6.2160 6.2208 6.2208 6.2635 6.2635 6.2636 6.2636 6.4849 6.4849 7.0895 7.0895 8.9295 8.9295 9.0975 9.0975 9.1108 9.1108 9.2475 9.2475 9.6317 9.6317 k = 0.3333 0.5774 0.8349 ( 21438 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6553 -34.6553 -34.6553 -34.6553 -34.6414 -34.6414 -15.7043 -15.7043 -15.6635 -15.6635 -15.6618 -15.6618 -14.3238 -14.3238 -14.2929 -14.2929 -14.2663 -14.2663 -14.2240 -14.2240 -14.1955 -14.1955 -14.1538 -14.1538 1.1334 1.1334 1.1349 1.1349 1.2412 1.2412 4.8187 4.8187 4.8309 4.8309 4.8585 4.8585 6.2160 6.2160 6.2208 6.2208 6.2635 6.2635 6.2636 6.2636 6.4849 6.4849 7.0895 7.0895 8.9295 8.9295 9.0975 9.0975 9.1108 9.1108 9.2475 9.2475 9.6317 9.6317 k = 0.3222 0.5581 0.8349 ( 21444 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6559 -34.6559 -34.6548 -34.6548 -34.6414 -34.6414 -15.7043 -15.7043 -15.6646 -15.6646 -15.6607 -15.6607 -14.3239 -14.3239 -14.2929 -14.2929 -14.2662 -14.2662 -14.2242 -14.2242 -14.1955 -14.1955 -14.1536 -14.1536 1.1333 1.1333 1.1349 1.1349 1.2407 1.2407 4.7796 4.7796 4.8523 4.8523 4.8795 4.8795 6.2069 6.2069 6.2247 6.2247 6.2409 6.2409 6.2883 6.2883 6.4878 6.4878 7.0880 7.0880 8.9262 8.9262 9.0937 9.0937 9.1139 9.1139 9.2468 9.2468 9.6319 9.6319 k = 0.3111 0.5389 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6565 -34.6565 -34.6542 -34.6542 -34.6414 -34.6414 -15.7044 -15.7044 -15.6663 -15.6663 -15.6590 -15.6590 -14.3243 -14.3243 -14.2929 -14.2929 -14.2658 -14.2658 -14.2250 -14.2250 -14.1954 -14.1954 -14.1529 -14.1529 1.1333 1.1333 1.1350 1.1350 1.2394 1.2394 4.7368 4.7368 4.8559 4.8559 4.9290 4.9290 6.1929 6.1929 6.2073 6.2073 6.2438 6.2438 6.3063 6.3063 6.4977 6.4977 7.0835 7.0835 8.9168 8.9168 9.0885 9.0885 9.1166 9.1166 9.2444 9.2444 9.6310 9.6310 k = 0.3000 0.5196 0.8349 ( 21442 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6571 -34.6571 -34.6536 -34.6536 -34.6414 -34.6414 -15.7045 -15.7045 -15.6681 -15.6681 -15.6572 -15.6572 -14.3250 -14.3250 -14.2929 -14.2929 -14.2652 -14.2652 -14.2262 -14.2262 -14.1951 -14.1951 -14.1518 -14.1518 1.1332 1.1332 1.1351 1.1351 1.2370 1.2370 4.6966 4.6966 4.8595 4.8595 4.9826 4.9826 6.1733 6.1733 6.1882 6.1882 6.2541 6.2541 6.3162 6.3162 6.5154 6.5154 7.0761 7.0761 8.9028 8.9028 9.0850 9.0850 9.1162 9.1162 9.2394 9.2394 9.6279 9.6279 k = 0.2889 0.5004 0.8349 ( 21434 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6578 -34.6578 -34.6529 -34.6529 -34.6413 -34.6413 -15.7046 -15.7046 -15.6700 -15.6700 -15.6553 -15.6553 -14.3258 -14.3258 -14.2932 -14.2932 -14.2642 -14.2642 -14.2279 -14.2279 -14.1946 -14.1946 -14.1503 -14.1503 1.1331 1.1331 1.1353 1.1353 1.2335 1.2335 4.6595 4.6595 4.8644 4.8644 5.0390 5.0390 6.1487 6.1487 6.1740 6.1740 6.2646 6.2646 6.3191 6.3191 6.5397 6.5397 7.0660 7.0660 8.8853 8.8853 9.0834 9.0834 9.1126 9.1126 9.2309 9.2309 9.6229 9.6229 k = 0.2778 0.4811 0.8349 ( 21434 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6584 -34.6584 -34.6523 -34.6523 -34.6413 -34.6413 -15.7047 -15.7047 -15.6720 -15.6720 -15.6533 -15.6533 -14.3268 -14.3268 -14.2937 -14.2937 -14.2629 -14.2629 -14.2299 -14.2299 -14.1940 -14.1940 -14.1484 -14.1484 1.1330 1.1330 1.1355 1.1355 1.2289 1.2289 4.6253 4.6253 4.8709 4.8709 5.0977 5.0977 6.1232 6.1232 6.1619 6.1619 6.2735 6.2735 6.3182 6.3182 6.5679 6.5679 7.0535 7.0535 8.8655 8.8655 9.0837 9.0837 9.1066 9.1066 9.2181 9.2181 9.6173 9.6173 k = 0.2667 0.4619 0.8349 ( 21446 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6591 -34.6591 -34.6516 -34.6516 -34.6413 -34.6413 -15.7049 -15.7049 -15.6740 -15.6740 -15.6513 -15.6513 -14.3279 -14.3279 -14.2944 -14.2944 -14.2614 -14.2614 -14.2321 -14.2321 -14.1933 -14.1933 -14.1462 -14.1462 1.1330 1.1330 1.1356 1.1356 1.2231 1.2231 4.5942 4.5942 4.8789 4.8789 5.1587 5.1587 6.0978 6.0978 6.1513 6.1513 6.2777 6.2777 6.3186 6.3186 6.5979 6.5979 7.0388 7.0388 8.8442 8.8442 9.0849 9.0849 9.0996 9.0996 9.2003 9.2003 9.6125 9.6125 k = 0.2556 0.4426 0.8349 ( 21466 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6597 -34.6597 -34.6510 -34.6510 -34.6413 -34.6413 -15.7051 -15.7051 -15.6760 -15.6760 -15.6493 -15.6493 -14.3292 -14.3292 -14.2954 -14.2954 -14.2598 -14.2598 -14.2345 -14.2345 -14.1925 -14.1925 -14.1436 -14.1436 1.1329 1.1329 1.1358 1.1358 1.2162 1.2162 4.5661 4.5661 4.8886 4.8886 5.2217 5.2217 6.0728 6.0728 6.1426 6.1426 6.2740 6.2740 6.3245 6.3245 6.6277 6.6277 7.0222 7.0222 8.8221 8.8221 9.0827 9.0827 9.0964 9.0964 9.1772 9.1772 9.6094 9.6094 k = 0.2444 0.4234 0.8349 ( 21468 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6604 -34.6604 -34.6503 -34.6503 -34.6413 -34.6413 -15.7052 -15.7052 -15.6781 -15.6781 -15.6473 -15.6473 -14.3305 -14.3305 -14.2966 -14.2966 -14.2581 -14.2581 -14.2368 -14.2368 -14.1917 -14.1917 -14.1409 -14.1409 1.1328 1.1328 1.1360 1.1360 1.2082 1.2082 4.5407 4.5407 4.8999 4.8999 5.2866 5.2866 6.0483 6.0483 6.1361 6.1361 6.2639 6.2639 6.3350 6.3350 6.6563 6.6563 7.0041 7.0041 8.7996 8.7996 9.0750 9.0750 9.0986 9.0986 9.1500 9.1500 9.6084 9.6084 k = 0.2333 0.4041 0.8349 ( 21480 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6610 -34.6610 -34.6497 -34.6497 -34.6413 -34.6413 -15.7055 -15.7055 -15.6801 -15.6801 -15.6453 -15.6453 -14.3318 -14.3318 -14.2981 -14.2981 -14.2565 -14.2565 -14.2388 -14.2388 -14.1908 -14.1908 -14.1379 -14.1379 1.1328 1.1328 1.1361 1.1361 1.1992 1.1992 4.5180 4.5180 4.9130 4.9130 5.3533 5.3533 6.0242 6.0242 6.1323 6.1323 6.2503 6.2503 6.3478 6.3478 6.6826 6.6826 6.9847 6.9847 8.7770 8.7770 9.0664 9.0664 9.0934 9.0934 9.1278 9.1278 9.6097 9.6097 k = 0.2222 0.3849 0.8349 ( 21490 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6617 -34.6617 -34.6490 -34.6490 -34.6413 -34.6413 -15.7057 -15.7057 -15.6822 -15.6822 -15.6434 -15.6434 -14.3332 -14.3332 -14.2999 -14.2999 -14.2552 -14.2552 -14.2403 -14.2403 -14.1900 -14.1900 -14.1347 -14.1347 1.1327 1.1327 1.1361 1.1361 1.1893 1.1893 4.4978 4.4978 4.9278 4.9278 5.4215 5.4215 6.0007 6.0007 6.1315 6.1315 6.2344 6.2344 6.3618 6.3618 6.7060 6.7060 6.9645 6.9645 8.7544 8.7544 9.0573 9.0573 9.0639 9.0639 9.1283 9.1283 9.6128 9.6128 k = 0.2111 0.3657 0.8349 ( 21480 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6623 -34.6623 -34.6484 -34.6484 -34.6413 -34.6413 -15.7059 -15.7059 -15.6843 -15.6843 -15.6414 -15.6414 -14.3345 -14.3345 -14.3018 -14.3018 -14.2547 -14.2547 -14.2410 -14.2410 -14.1893 -14.1893 -14.1314 -14.1314 1.1326 1.1326 1.1361 1.1361 1.1787 1.1787 4.4797 4.4797 4.9443 4.9443 5.4910 5.4910 5.9777 5.9777 6.1342 6.1342 6.2168 6.2168 6.3764 6.3764 6.7261 6.7261 6.9437 6.9437 8.7315 8.7315 9.0176 9.0176 9.0551 9.0551 9.1376 9.1376 9.6172 9.6172 k = 0.2000 0.3464 0.8349 ( 21496 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6630 -34.6630 -34.6477 -34.6477 -34.6413 -34.6413 -15.7062 -15.7062 -15.6863 -15.6863 -15.6396 -15.6396 -14.3359 -14.3359 -14.3040 -14.3040 -14.2549 -14.2549 -14.2407 -14.2407 -14.1885 -14.1885 -14.1280 -14.1280 1.1322 1.1322 1.1358 1.1358 1.1678 1.1678 4.4636 4.4636 4.9625 4.9625 5.5616 5.5616 5.9554 5.9554 6.1404 6.1404 6.1978 6.1978 6.3914 6.3914 6.7426 6.7426 6.9227 6.9227 8.7083 8.7083 8.9687 8.9687 9.0532 9.0532 9.1493 9.1493 9.6221 9.6221 k = 0.1889 0.3272 0.8349 ( 21500 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6636 -34.6636 -34.6471 -34.6471 -34.6413 -34.6413 -15.7064 -15.7064 -15.6883 -15.6883 -15.6377 -15.6377 -14.3372 -14.3372 -14.3064 -14.3064 -14.2557 -14.2557 -14.2395 -14.2395 -14.1879 -14.1879 -14.1246 -14.1246 1.1311 1.1311 1.1352 1.1352 1.1573 1.1573 4.4491 4.4491 4.9825 4.9825 5.6331 5.6331 5.9337 5.9337 6.1504 6.1504 6.1777 6.1777 6.4066 6.4066 6.7553 6.7553 6.9018 6.9018 8.6843 8.6843 8.9158 8.9158 9.0550 9.0550 9.1622 9.1622 9.6265 9.6265 k = 0.1778 0.3079 0.8349 ( 21502 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6642 -34.6642 -34.6465 -34.6465 -34.6413 -34.6413 -15.7067 -15.7067 -15.6902 -15.6902 -15.6359 -15.6359 -14.3385 -14.3385 -14.3089 -14.3089 -14.2569 -14.2569 -14.2379 -14.2379 -14.1873 -14.1873 -14.1211 -14.1211 1.1273 1.1273 1.1347 1.1347 1.1490 1.1490 4.4361 4.4361 5.0042 5.0042 5.7050 5.7050 5.9129 5.9129 6.1544 6.1544 6.1662 6.1662 6.4220 6.4220 6.7643 6.7643 6.8811 6.8811 8.6591 8.6591 8.8602 8.8602 9.0606 9.0606 9.1759 9.1759 9.6291 9.6291 k = 0.1667 0.2887 0.8349 ( 21502 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6648 -34.6648 -34.6460 -34.6460 -34.6413 -34.6413 -15.7069 -15.7069 -15.6921 -15.6921 -15.6342 -15.6342 -14.3397 -14.3397 -14.3115 -14.3115 -14.2581 -14.2581 -14.2360 -14.2360 -14.1867 -14.1867 -14.1176 -14.1176 1.1191 1.1191 1.1344 1.1344 1.1446 1.1446 4.4244 4.4244 5.0276 5.0276 5.7768 5.7768 5.8934 5.8934 6.1322 6.1322 6.1837 6.1837 6.4373 6.4373 6.7697 6.7697 6.8611 6.8611 8.6321 8.6321 8.8023 8.8023 9.0699 9.0699 9.1899 9.1899 9.6282 9.6282 k = 0.1556 0.2694 0.8349 ( 21494 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6653 -34.6653 -34.6454 -34.6454 -34.6413 -34.6413 -15.7072 -15.7072 -15.6939 -15.6939 -15.6326 -15.6326 -14.3408 -14.3408 -14.3142 -14.3142 -14.2594 -14.2594 -14.2341 -14.2341 -14.1862 -14.1862 -14.1141 -14.1141 1.1078 1.1078 1.1344 1.1344 1.1428 1.1428 4.4137 4.4137 5.0526 5.0526 5.8437 5.8437 5.8795 5.8795 6.1079 6.1079 6.2060 6.2060 6.4524 6.4524 6.7718 6.7718 6.8418 6.8418 8.6028 8.6028 8.7430 8.7430 9.0829 9.0829 9.2040 9.2040 9.6223 9.6223 k = 0.1444 0.2502 0.8349 ( 21506 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6659 -34.6659 -34.6449 -34.6449 -34.6413 -34.6413 -15.7074 -15.7074 -15.6957 -15.6957 -15.6311 -15.6311 -14.3419 -14.3419 -14.3170 -14.3170 -14.2605 -14.2605 -14.2321 -14.2321 -14.1858 -14.1858 -14.1107 -14.1107 1.0954 1.0954 1.1345 1.1345 1.1421 1.1421 4.4039 4.4039 5.0791 5.0791 5.8502 5.8502 5.9264 5.9264 6.0821 6.0821 6.2322 6.2322 6.4674 6.4674 6.7711 6.7711 6.8235 6.8235 8.5706 8.5706 8.6829 8.6829 9.0991 9.0991 9.2181 9.2181 9.6120 9.6120 k = 0.1333 0.2309 0.8349 ( 21502 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6664 -34.6664 -34.6444 -34.6444 -34.6413 -34.6413 -15.7077 -15.7077 -15.6973 -15.6973 -15.6296 -15.6296 -14.3429 -14.3429 -14.3197 -14.3197 -14.2616 -14.2616 -14.2301 -14.2301 -14.1854 -14.1854 -14.1075 -14.1075 1.0827 1.0827 1.1347 1.1347 1.1418 1.1418 4.3948 4.3948 5.1072 5.1072 5.8340 5.8340 5.9957 5.9957 6.0554 6.0554 6.2621 6.2621 6.4820 6.4820 6.7680 6.7680 6.8063 6.8063 8.5353 8.5353 8.6226 8.6226 9.1181 9.1181 9.2318 9.2318 9.6004 9.6004 k = 0.1222 0.2117 0.8349 ( 21502 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6668 -34.6668 -34.6439 -34.6439 -34.6413 -34.6413 -15.7080 -15.7080 -15.6988 -15.6988 -15.6283 -15.6283 -14.3437 -14.3437 -14.3224 -14.3224 -14.2625 -14.2625 -14.2282 -14.2282 -14.1851 -14.1851 -14.1043 -14.1043 1.0702 1.0702 1.1348 1.1348 1.1417 1.1417 4.3865 4.3865 5.1366 5.1366 5.8177 5.8177 6.0243 6.0243 6.0677 6.0677 6.2951 6.2951 6.4963 6.4963 6.7630 6.7630 6.7904 6.7904 8.4965 8.4965 8.5627 8.5627 9.1392 9.1392 9.2451 9.2451 9.5901 9.5901 k = 0.1111 0.1925 0.8349 ( 21518 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6673 -34.6673 -34.6434 -34.6434 -34.6413 -34.6413 -15.7083 -15.7083 -15.7002 -15.7002 -15.6270 -15.6270 -14.3445 -14.3445 -14.3251 -14.3251 -14.2633 -14.2633 -14.2265 -14.2265 -14.1848 -14.1848 -14.1014 -14.1014 1.0581 1.0581 1.1350 1.1350 1.1418 1.1418 4.3788 4.3788 5.1672 5.1672 5.8023 5.8023 5.9952 5.9952 6.1349 6.1349 6.3308 6.3308 6.5100 6.5100 6.7565 6.7565 6.7760 6.7760 8.4543 8.4543 8.5040 8.5040 9.1618 9.1618 9.2578 9.2578 9.5831 9.5831 k = 0.1000 0.1732 0.8349 ( 21514 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6677 -34.6677 -34.6430 -34.6430 -34.6413 -34.6413 -15.7086 -15.7086 -15.7015 -15.7015 -15.6259 -15.6259 -14.3451 -14.3451 -14.3276 -14.3276 -14.2640 -14.2640 -14.2248 -14.2248 -14.1846 -14.1846 -14.0986 -14.0986 1.0466 1.0466 1.1352 1.1352 1.1418 1.1418 4.3717 4.3717 5.1990 5.1990 5.7879 5.7879 5.9640 5.9640 6.2003 6.2003 6.3685 6.3685 6.5233 6.5233 6.7491 6.7491 6.7633 6.7633 8.4091 8.4091 8.4472 8.4472 9.1850 9.1850 9.2698 9.2698 9.5803 9.5803 k = 0.0889 0.1540 0.8349 ( 21534 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6681 -34.6681 -34.6427 -34.6427 -34.6413 -34.6413 -15.7089 -15.7089 -15.7026 -15.7026 -15.6248 -15.6248 -14.3456 -14.3456 -14.3301 -14.3301 -14.2646 -14.2646 -14.2233 -14.2233 -14.1845 -14.1845 -14.0960 -14.0960 1.0358 1.0358 1.1354 1.1354 1.1419 1.1419 4.3652 4.3652 5.2316 5.2316 5.7747 5.7747 5.9317 5.9317 6.2625 6.2625 6.4072 6.4072 6.5362 6.5362 6.7410 6.7410 6.7525 6.7525 8.3618 8.3618 8.3930 8.3930 9.2081 9.2081 9.2810 9.2810 9.5818 9.5818 k = 0.0778 0.1347 0.8349 ( 21522 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6684 -34.6684 -34.6423 -34.6423 -34.6413 -34.6413 -15.7092 -15.7092 -15.7035 -15.7035 -15.6239 -15.6239 -14.3460 -14.3460 -14.3324 -14.3324 -14.2651 -14.2651 -14.2219 -14.2219 -14.1843 -14.1843 -14.0937 -14.0937 1.0260 1.0260 1.1356 1.1356 1.1420 1.1420 4.3594 4.3594 5.2649 5.2649 5.7629 5.7629 5.8986 5.8986 6.3203 6.3203 6.4457 6.4457 6.5488 6.5488 6.7328 6.7328 6.7435 6.7435 8.3138 8.3138 8.3418 8.3418 9.2304 9.2304 9.2913 9.2913 9.5874 9.5874 k = 0.0667 0.1155 0.8349 ( 21522 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6687 -34.6687 -34.6421 -34.6421 -34.6413 -34.6413 -15.7096 -15.7096 -15.7043 -15.7043 -15.6231 -15.6231 -14.3462 -14.3462 -14.3345 -14.3345 -14.2655 -14.2655 -14.2207 -14.2207 -14.1842 -14.1842 -14.0916 -14.0916 1.0173 1.0173 1.1357 1.1357 1.1421 1.1421 4.3542 4.3542 5.2983 5.2983 5.7525 5.7525 5.8651 5.8651 6.3726 6.3726 6.4827 6.4827 6.5615 6.5615 6.7252 6.7252 6.7362 6.7362 8.2672 8.2672 8.2938 8.2938 9.2509 9.2509 9.3008 9.3008 9.5963 9.5963 k = 0.0556 0.0962 0.8349 ( 21534 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6689 -34.6689 -34.6418 -34.6418 -34.6413 -34.6413 -15.7099 -15.7099 -15.7049 -15.7049 -15.6224 -15.6224 -14.3463 -14.3463 -14.3365 -14.3365 -14.2659 -14.2659 -14.2196 -14.2196 -14.1842 -14.1842 -14.0899 -14.0899 1.0097 1.0097 1.1359 1.1359 1.1422 1.1422 4.3497 4.3497 5.3313 5.3313 5.7435 5.7435 5.8319 5.8319 6.4179 6.4179 6.5161 6.5161 6.5753 6.5753 6.7185 6.7185 6.7305 6.7305 8.2240 8.2240 8.2498 8.2498 9.2690 9.2690 9.3094 9.3094 9.6072 9.6072 k = 0.0444 0.0770 0.8349 ( 21526 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6691 -34.6691 -34.6416 -34.6416 -34.6412 -34.6412 -15.7103 -15.7103 -15.7053 -15.7053 -15.6219 -15.6219 -14.3462 -14.3462 -14.3383 -14.3383 -14.2661 -14.2661 -14.2187 -14.2187 -14.1841 -14.1841 -14.0884 -14.0884 1.0033 1.0033 1.1360 1.1360 1.1422 1.1422 4.3459 4.3459 5.3630 5.3630 5.7361 5.7361 5.8000 5.8000 6.4548 6.4548 6.5438 6.5438 6.5909 6.5909 6.7131 6.7131 6.7264 6.7264 8.1858 8.1858 8.2109 8.2109 9.2839 9.2839 9.3174 9.3174 9.6186 9.6186 k = 0.0333 0.0577 0.8349 ( 21514 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6693 -34.6693 -34.6415 -34.6415 -34.6412 -34.6412 -15.7105 -15.7105 -15.7057 -15.7057 -15.6214 -15.6214 -14.3460 -14.3460 -14.3399 -14.3399 -14.2663 -14.2663 -14.2181 -14.2181 -14.1841 -14.1841 -14.0872 -14.0872 0.9983 0.9983 1.1361 1.1361 1.1423 1.1423 4.3430 4.3430 5.3921 5.3921 5.7303 5.7303 5.7706 5.7706 6.4824 6.4824 6.5644 6.5644 6.6081 6.6081 6.7091 6.7091 6.7237 6.7237 8.1541 8.1541 8.1786 8.1786 9.2952 9.2952 9.3245 9.3245 9.6286 9.6286 k = 0.0222 0.0385 0.8349 ( 21510 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6694 -34.6694 -34.6413 -34.6413 -34.6412 -34.6412 -15.7108 -15.7108 -15.7059 -15.7059 -15.6211 -15.6211 -14.3456 -14.3456 -14.3412 -14.3412 -14.2665 -14.2665 -14.2176 -14.2176 -14.1841 -14.1841 -14.0864 -14.0864 0.9947 0.9947 1.1362 1.1362 1.1423 1.1423 4.3408 4.3408 5.4165 5.4165 5.7260 5.7260 5.7460 5.7460 6.5007 6.5007 6.5787 6.5787 6.6237 6.6237 6.7064 6.7064 6.7224 6.7224 8.1302 8.1302 8.1542 8.1542 9.3028 9.3028 9.3303 9.3303 9.6359 9.6359 k = 0.0111 0.0192 0.8349 ( 21510 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6413 -34.6413 -34.6412 -34.6412 -15.7109 -15.7109 -15.7060 -15.7060 -15.6209 -15.6209 -14.3451 -14.3451 -14.3423 -14.3423 -14.2666 -14.2666 -14.2173 -14.2173 -14.1841 -14.1841 -14.0859 -14.0859 0.9925 0.9925 1.1362 1.1362 1.1424 1.1424 4.3395 4.3395 5.4334 5.4334 5.7233 5.7233 5.7292 5.7292 6.5108 6.5108 6.5874 6.5874 6.6345 6.6345 6.7048 6.7048 6.7220 6.7220 8.1154 8.1154 8.1391 8.1391 9.3070 9.3070 9.3342 9.3342 9.6401 9.6401 k = 0.0000 0.0000 0.8349 ( 21494 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6695 -34.6695 -34.6412 -34.6412 -34.6412 -34.6412 -15.7109 -15.7109 -15.7061 -15.7061 -15.6208 -15.6208 -14.3448 -14.3448 -14.3428 -14.3428 -14.2666 -14.2666 -14.2172 -14.2172 -14.1841 -14.1841 -14.0857 -14.0857 0.9918 0.9918 1.1363 1.1363 1.1424 1.1424 4.3391 4.3391 5.4395 5.4395 5.7215 5.7215 5.7240 5.7240 6.5139 6.5139 6.5903 6.5903 6.6382 6.6382 6.7043 6.7043 6.7219 6.7219 8.1104 8.1104 8.1340 8.1340 9.3084 9.3084 9.3356 9.3356 9.6414 9.6414 k = 0.5000 0.2887 0.8349 ( 21436 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7061 -15.7061 -15.6754 -15.6754 -15.6491 -15.6491 -14.3341 -14.3341 -14.2848 -14.2848 -14.2627 -14.2627 -14.2356 -14.2356 -14.1991 -14.1991 -14.1384 -14.1384 1.1328 1.1328 1.1359 1.1359 1.2141 1.2141 4.4580 4.4580 4.9040 4.9040 5.4928 5.4928 5.8989 5.8989 6.1341 6.1341 6.1676 6.1676 6.5653 6.5653 6.6315 6.6315 6.8977 6.8977 8.6222 8.6222 8.9028 8.9028 9.2398 9.2398 9.2766 9.2766 9.6445 9.6445 k = 0.5000 0.2887 0.8129 ( 21440 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7061 -15.7060 -15.6754 -15.6753 -15.6491 -15.6490 -14.3342 -14.3340 -14.2850 -14.2845 -14.2628 -14.2625 -14.2356 -14.2355 -14.1990 -14.1990 -14.1384 -14.1384 1.1299 1.1315 1.1343 1.1351 1.2135 1.2152 4.4606 4.4607 4.9062 4.9063 5.4877 5.4941 5.8844 5.9038 6.1329 6.1337 6.1678 6.1810 6.5655 6.5665 6.6331 6.6331 6.8979 6.8981 8.6165 8.6195 8.9035 8.9081 9.2272 9.2450 9.2724 9.2902 9.6440 9.6452 k = 0.5000 0.2887 0.7910 ( 21448 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6600 -34.6600 -34.6507 -34.6507 -34.6413 -34.6413 -15.7060 -15.7060 -15.6754 -15.6752 -15.6490 -15.6488 -14.3343 -14.3339 -14.2851 -14.2842 -14.2628 -14.2623 -14.2354 -14.2352 -14.1989 -14.1989 -14.1384 -14.1384 1.1238 1.1257 1.1307 1.1311 1.2134 1.2165 4.4685 4.4688 4.9129 4.9129 5.4790 5.4913 5.8639 5.8985 6.1301 6.1318 6.1821 6.2049 6.5671 6.5691 6.6379 6.6380 6.8987 6.8992 8.6033 8.6088 8.9099 8.9186 9.2137 9.2368 9.2831 9.3064 9.6436 9.6460 k = 0.5000 0.2887 0.7690 ( 21442 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6601 -34.6601 -34.6507 -34.6507 -34.6414 -34.6414 -15.7060 -15.7059 -15.6753 -15.6750 -15.6489 -15.6486 -14.3344 -14.3338 -14.2851 -14.2838 -14.2627 -14.2620 -14.2351 -14.2348 -14.1987 -14.1987 -14.1383 -14.1383 1.1150 1.1165 1.1237 1.1241 1.2135 1.2179 4.4817 4.4821 4.9239 4.9239 5.4668 5.4841 5.8411 5.8857 6.1259 6.1283 6.2076 6.2357 6.5700 6.5728 6.6458 6.6460 6.9002 6.9009 8.5846 8.5917 8.9204 8.9323 9.2004 9.2249 9.2992 9.3240 9.6435 9.6473 k = 0.5000 0.2887 0.7470 ( 21446 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6601 -34.6601 -34.6508 -34.6508 -34.6414 -34.6414 -15.7058 -15.7057 -15.6752 -15.6748 -15.6487 -15.6484 -14.3344 -14.3337 -14.2850 -14.2833 -14.2626 -14.2616 -14.2347 -14.2342 -14.1985 -14.1985 -14.1382 -14.1381 1.1038 1.1045 1.1132 1.1147 1.2137 1.2191 4.5000 4.5005 4.9390 4.9390 5.4513 5.4723 5.8194 5.8695 6.1203 6.1236 6.2406 6.2707 6.5741 6.5778 6.6566 6.6568 6.9022 6.9032 8.5622 8.5702 8.9332 8.9475 9.1875 9.2127 9.3167 9.3424 9.6440 9.6492 k = 0.5000 0.2887 0.7251 ( 21430 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6601 -34.6601 -34.6508 -34.6508 -34.6414 -34.6414 -15.7057 -15.7055 -15.6750 -15.6745 -15.6484 -15.6480 -14.3344 -14.3336 -14.2848 -14.2827 -14.2625 -14.2612 -14.2340 -14.2335 -14.1981 -14.1981 -14.1381 -14.1380 1.0896 1.0901 1.0999 1.1026 1.2137 1.2199 4.5233 4.5239 4.9577 4.9579 5.4327 5.4558 5.8006 5.8527 6.1137 6.1177 6.2779 6.3081 6.5793 6.5837 6.6702 6.6704 6.9049 6.9061 8.5381 8.5464 8.9466 8.9626 9.1749 9.2005 9.3348 9.3611 9.6454 9.6522 k = 0.5000 0.2887 0.7031 ( 21452 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6602 -34.6602 -34.6509 -34.6509 -34.6415 -34.6415 -15.7055 -15.7053 -15.6748 -15.6742 -15.6481 -15.6477 -14.3345 -14.3335 -14.2846 -14.2821 -14.2623 -14.2607 -14.2333 -14.2327 -14.1977 -14.1977 -14.1379 -14.1378 1.0719 1.0737 1.0846 1.0885 1.2134 1.2202 4.5512 4.5519 4.9796 4.9799 5.4114 5.4350 5.7859 5.8374 6.1062 6.1111 6.3175 6.3467 6.5855 6.5904 6.6863 6.6865 6.9081 6.9095 8.5134 8.5218 8.9593 8.9766 9.1625 9.1884 9.3528 9.3797 9.6484 9.6569 k = 0.5000 0.2887 0.6811 ( 21460 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6603 -34.6603 -34.6509 -34.6509 -34.6415 -34.6415 -15.7053 -15.7051 -15.6745 -15.6738 -15.6477 -15.6472 -14.3345 -14.3333 -14.2843 -14.2815 -14.2620 -14.2602 -14.2324 -14.2318 -14.1972 -14.1972 -14.1377 -14.1376 1.0515 1.0544 1.0679 1.0727 1.2125 1.2199 4.5836 4.5843 5.0038 5.0044 5.3882 5.4110 5.7760 5.8249 6.0982 6.1039 6.3580 6.3857 6.5924 6.5977 6.7046 6.7048 6.9118 6.9135 8.4893 8.4975 8.9704 8.9888 9.1500 9.1761 9.3700 9.3973 9.6538 9.6640 k = 0.5000 0.2887 0.6591 ( 21454 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6603 -34.6603 -34.6510 -34.6510 -34.6416 -34.6416 -15.7050 -15.7048 -15.6742 -15.6734 -15.6473 -15.6467 -14.3345 -14.3332 -14.2839 -14.2808 -14.2617 -14.2596 -14.2314 -14.2307 -14.1966 -14.1966 -14.1374 -14.1373 1.0287 1.0321 1.0503 1.0556 1.2111 1.2190 4.6201 4.6208 5.0291 5.0301 5.3642 5.3853 5.7708 5.8159 6.0900 6.0964 6.3984 6.4243 6.5998 6.6056 6.7249 6.7250 6.9161 6.9179 8.4667 8.4745 8.9795 8.9986 9.1370 9.1632 9.3857 9.4131 9.6623 9.6745 k = 0.5000 0.2887 0.6372 ( 21466 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6604 -34.6604 -34.6510 -34.6510 -34.6417 -34.6417 -15.7047 -15.7045 -15.6738 -15.6729 -15.6468 -15.6462 -14.3345 -14.3331 -14.2835 -14.2800 -14.2613 -14.2590 -14.2302 -14.2295 -14.1959 -14.1959 -14.1371 -14.1370 1.0035 1.0074 1.0318 1.0372 1.2090 1.2173 4.6605 4.6611 5.0535 5.0552 5.3412 5.3603 5.7704 5.8110 6.0817 6.0888 6.4380 6.4619 6.6077 6.6138 6.7467 6.7469 6.9209 6.9230 8.4462 8.4537 8.9861 9.0058 9.1233 9.1495 9.3995 9.4264 9.6747 9.6890 k = 0.5000 0.2887 0.6152 ( 21464 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6605 -34.6605 -34.6511 -34.6511 -34.6417 -34.6417 -15.7044 -15.7042 -15.6734 -15.6725 -15.6463 -15.6456 -14.3345 -14.3330 -14.2830 -14.2793 -14.2608 -14.2583 -14.2289 -14.2282 -14.1952 -14.1951 -14.1368 -14.1367 0.9764 0.9805 1.0124 1.0179 1.2064 1.2150 4.7043 4.7048 5.0739 5.0764 5.3223 5.3394 5.7746 5.8105 6.0738 6.0816 6.4760 6.4981 6.6160 6.6224 6.7699 6.7700 6.9264 6.9286 8.4283 8.4355 8.9900 9.0102 9.1083 9.1343 9.4109 9.4366 9.6909 9.7084 k = 0.5000 0.2887 0.5932 ( 21466 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6606 -34.6606 -34.6512 -34.6512 -34.6418 -34.6418 -15.7041 -15.7038 -15.6730 -15.6720 -15.6457 -15.6450 -14.3346 -14.3329 -14.2825 -14.2785 -14.2603 -14.2576 -14.2275 -14.2268 -14.1943 -14.1943 -14.1365 -14.1363 0.9476 0.9518 0.9923 0.9977 1.2031 1.2120 4.7511 4.7515 5.0856 5.0892 5.3119 5.3271 5.7834 5.8148 6.0664 6.0750 6.5119 6.5321 6.6249 6.6316 6.7939 6.7940 6.9327 6.9351 8.4135 8.4204 8.9912 9.0117 9.0917 9.1173 9.4201 9.4438 9.7074 9.7329 k = 0.5000 0.2887 0.5713 ( 21450 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6607 -34.6607 -34.6513 -34.6513 -34.6419 -34.6419 -15.7037 -15.7035 -15.6725 -15.6714 -15.6451 -15.6443 -14.3346 -14.3329 -14.2820 -14.2778 -14.2597 -14.2568 -14.2260 -14.2252 -14.1934 -14.1934 -14.1361 -14.1359 0.9173 0.9217 0.9716 0.9768 1.1992 1.2083 4.8004 4.8007 5.0844 5.0889 5.3142 5.3278 5.7971 5.8242 6.0599 6.0692 6.5447 6.5630 6.6348 6.6416 6.8181 6.8183 6.9401 6.9427 8.4020 8.4087 8.9896 9.0104 9.0729 9.0980 9.4273 9.4486 9.7090 9.7579 k = 0.5000 0.2887 0.5493 ( 21468 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6608 -34.6608 -34.6514 -34.6514 -34.6420 -34.6420 -15.7034 -15.7031 -15.6720 -15.6709 -15.6444 -15.6436 -14.3346 -14.3328 -14.2815 -14.2771 -14.2591 -14.2561 -14.2243 -14.2236 -14.1925 -14.1924 -14.1356 -14.1354 0.8860 0.8904 0.9503 0.9555 1.1948 1.2041 4.8519 4.8520 5.0698 5.0751 5.3294 5.3415 5.8159 5.8392 6.0547 6.0647 6.5734 6.5894 6.6469 6.6533 6.8418 6.8420 6.9492 6.9519 8.3939 8.4006 8.9853 9.0064 9.0516 9.0761 9.4334 9.4518 9.6843 9.7161 k = 0.5000 0.2887 0.5273 ( 21454 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6609 -34.6609 -34.6515 -34.6515 -34.6421 -34.6421 -15.7030 -15.7027 -15.6715 -15.6703 -15.6438 -15.6429 -14.3346 -14.3328 -14.2809 -14.2764 -14.2584 -14.2553 -14.2226 -14.2219 -14.1914 -14.1913 -14.1351 -14.1349 0.8538 0.8583 0.9287 0.9337 1.1899 1.1993 4.9048 4.9050 5.0450 5.0511 5.3536 5.3646 5.8400 5.8599 6.0511 6.0619 6.5966 6.6094 6.6628 6.6679 6.8638 6.8641 6.9609 6.9636 8.3891 8.3959 8.9781 8.9995 9.0276 9.0513 9.4392 9.4542 9.6501 9.6736 k = 0.5000 0.2887 0.5053 ( 21442 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6610 -34.6610 -34.6516 -34.6516 -34.6422 -34.6422 -15.7026 -15.7022 -15.6710 -15.6697 -15.6430 -15.6422 -14.3347 -14.3328 -14.2803 -14.2758 -14.2577 -14.2544 -14.2208 -14.2202 -14.1903 -14.1902 -14.1346 -14.1344 0.8210 0.8255 0.9068 0.9116 1.1845 1.1939 4.9586 4.9587 5.0143 5.0210 5.3823 5.3925 5.8699 5.8868 6.0495 6.0610 6.6138 6.6232 6.6825 6.6857 6.8828 6.8832 6.9762 6.9790 8.3875 8.3945 8.9677 8.9881 9.0024 9.0242 9.4452 9.4568 9.6149 9.6326 k = 0.5000 0.2887 0.4834 ( 21450 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6611 -34.6611 -34.6517 -34.6517 -34.6423 -34.6423 -15.7021 -15.7018 -15.6704 -15.6691 -15.6423 -15.6414 -14.3347 -14.3328 -14.2798 -14.2752 -14.2569 -14.2536 -14.2189 -14.2183 -14.1891 -14.1890 -14.1341 -14.1338 0.7880 0.7924 0.8849 0.8895 1.1786 1.1881 4.9781 4.9872 5.0130 5.0150 5.4124 5.4222 5.9055 5.9199 6.0505 6.0627 6.6263 6.6328 6.7039 6.7058 6.8979 6.8985 6.9957 6.9986 8.3886 8.3959 8.9527 8.9639 8.9842 8.9960 9.4523 9.4600 9.5817 9.5941 k = 0.5000 0.2887 0.4614 ( 21458 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6612 -34.6612 -34.6518 -34.6518 -34.6424 -34.6424 -15.7017 -15.7014 -15.6698 -15.6685 -15.6416 -15.6406 -14.3347 -14.3328 -14.2792 -14.2747 -14.2560 -14.2528 -14.2170 -14.2165 -14.1879 -14.1878 -14.1335 -14.1332 0.7548 0.7592 0.8629 0.8674 1.1724 1.1819 4.9426 4.9519 5.0667 5.0685 5.4421 5.4517 5.9468 5.9590 6.0546 6.0675 6.6358 6.6404 6.7252 6.7266 6.9092 6.9100 7.0191 7.0220 8.3920 8.3997 8.9298 8.9300 8.9702 8.9703 9.4609 9.4637 9.5523 9.5589 k = 0.5000 0.2887 0.4394 ( 21460 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6613 -34.6613 -34.6519 -34.6519 -34.6425 -34.6425 -15.7013 -15.7010 -15.6692 -15.6679 -15.6408 -15.6399 -14.3348 -14.3328 -14.2787 -14.2742 -14.2551 -14.2519 -14.2150 -14.2145 -14.1866 -14.1865 -14.1328 -14.1326 0.7218 0.7261 0.8411 0.8454 1.1659 1.1754 4.9057 4.9156 5.1193 5.1214 5.4706 5.4801 5.9931 6.0035 6.0624 6.0761 6.6439 6.6474 6.7455 6.7468 6.9176 6.9185 7.0454 7.0484 8.3969 8.4050 8.8917 8.8967 8.9496 8.9553 9.4669 9.4711 9.5280 9.5294 k = 0.5000 0.2887 0.4175 ( 21456 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6614 -34.6614 -34.6520 -34.6520 -34.6426 -34.6426 -15.7009 -15.7005 -15.6686 -15.6673 -15.6400 -15.6391 -14.3348 -14.3329 -14.2782 -14.2738 -14.2542 -14.2511 -14.2131 -14.2126 -14.1853 -14.1851 -14.1322 -14.1319 0.6892 0.6934 0.8196 0.8237 1.1591 1.1685 4.8687 4.8791 5.1700 5.1725 5.4973 5.5067 6.0437 6.0528 6.0747 6.0890 6.6518 6.6545 6.7646 6.7661 6.9239 6.9248 7.0733 7.0766 8.4025 8.4110 8.8498 8.8564 8.9313 8.9389 9.4661 9.4819 9.5035 9.5174 k = 0.5000 0.2887 0.3955 ( 21450 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6615 -34.6615 -34.6522 -34.6522 -34.6427 -34.6427 -15.7004 -15.7001 -15.6680 -15.6667 -15.6393 -15.6383 -14.3349 -14.3330 -14.2777 -14.2735 -14.2533 -14.2503 -14.2111 -14.2106 -14.1840 -14.1838 -14.1315 -14.1312 0.6571 0.6612 0.7985 0.8024 1.1522 1.1614 4.8322 4.8428 5.2180 5.2208 5.5222 5.5317 6.0908 6.0987 6.1054 6.1069 6.6602 6.6625 6.7824 6.7843 6.9287 6.9297 7.1021 7.1057 8.4080 8.4169 8.8046 8.8114 8.9132 8.9210 9.4595 9.4766 9.5029 9.5193 k = 0.5000 0.2887 0.3735 ( 21464 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6616 -34.6616 -34.6523 -34.6523 -34.6429 -34.6429 -15.7000 -15.6997 -15.6674 -15.6661 -15.6385 -15.6376 -14.3350 -14.3331 -14.2772 -14.2732 -14.2524 -14.2495 -14.2091 -14.2087 -14.1826 -14.1824 -14.1308 -14.1305 0.6257 0.6297 0.7779 0.7816 1.1451 1.1541 4.7963 4.8071 5.2623 5.2655 5.5455 5.5549 6.1147 6.1306 6.1535 6.1602 6.6698 6.6720 6.7994 6.8018 6.9325 6.9334 7.1310 7.1349 8.4124 8.4215 8.7565 8.7629 8.8944 8.9016 9.4522 9.4630 9.5195 9.5306 k = 0.5000 0.2887 0.3515 ( 21470 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6618 -34.6618 -34.6524 -34.6524 -34.6430 -34.6430 -15.6996 -15.6992 -15.6668 -15.6656 -15.6378 -15.6368 -14.3350 -14.3332 -14.2768 -14.2730 -14.2515 -14.2487 -14.2071 -14.2068 -14.1812 -14.1810 -14.1301 -14.1298 0.5953 0.5992 0.7580 0.7615 1.1380 1.1468 4.7615 4.7723 5.3024 5.3058 5.5671 5.5765 6.1443 6.1604 6.2094 6.2155 6.6812 6.6835 6.8163 6.8191 6.9355 6.9363 7.1596 7.1639 8.4148 8.4241 8.7058 8.7116 8.8746 8.8807 9.4488 9.4551 9.5398 9.5476 k = 0.5000 0.2887 0.3296 ( 21470 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6619 -34.6619 -34.6525 -34.6525 -34.6431 -34.6431 -15.6992 -15.6988 -15.6662 -15.6650 -15.6370 -15.6361 -14.3351 -14.3334 -14.2764 -14.2728 -14.2505 -14.2479 -14.2051 -14.2049 -14.1799 -14.1796 -14.1293 -14.1291 0.5660 0.5697 0.7387 0.7420 1.1309 1.1394 4.7279 4.7386 5.3378 5.3413 5.5874 5.5966 6.1804 6.1968 6.2638 6.2696 6.6943 6.6973 6.8340 6.8375 6.9379 6.9385 7.1873 7.1921 8.4146 8.4238 8.6529 8.6580 8.8535 8.8585 9.4513 9.4544 9.5631 9.5687 k = 0.5000 0.2887 0.3076 ( 21454 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6620 -34.6620 -34.6526 -34.6526 -34.6432 -34.6432 -15.6988 -15.6984 -15.6657 -15.6645 -15.6363 -15.6354 -14.3352 -14.3335 -14.2760 -14.2727 -14.2496 -14.2472 -14.2032 -14.2030 -14.1785 -14.1782 -14.1286 -14.1283 0.5379 0.5414 0.7203 0.7234 1.1238 1.1320 4.6957 4.7061 5.3682 5.3717 5.6063 5.6154 6.2231 6.2397 6.3152 6.3209 6.7090 6.7129 6.8541 6.8584 6.9398 6.9403 7.2137 7.2191 8.4111 8.4201 8.5981 8.6024 8.8312 8.8350 9.4605 9.4612 9.5895 9.5933 k = 0.5000 0.2887 0.2856 ( 21454 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6621 -34.6621 -34.6527 -34.6527 -34.6433 -34.6433 -15.6984 -15.6981 -15.6651 -15.6640 -15.6356 -15.6348 -14.3353 -14.3337 -14.2757 -14.2726 -14.2488 -14.2465 -14.2014 -14.2012 -14.1772 -14.1769 -14.1278 -14.1276 0.5112 0.5145 0.7027 0.7056 1.1169 1.1248 4.6650 4.6751 5.3938 5.3972 5.6240 5.6328 6.2723 6.2889 6.3622 6.3680 6.7240 6.7292 6.8789 6.8837 6.9414 6.9416 7.2384 7.2444 8.4043 8.4128 8.5417 8.5453 8.8078 8.8105 9.4753 9.4764 9.6188 9.6214 k = 0.5000 0.2887 0.2637 ( 21452 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6622 -34.6622 -34.6528 -34.6528 -34.6434 -34.6434 -15.6980 -15.6977 -15.6646 -15.6635 -15.6349 -15.6342 -14.3354 -14.3338 -14.2754 -14.2725 -14.2479 -14.2459 -14.1996 -14.1995 -14.1759 -14.1756 -14.1271 -14.1269 0.4860 0.4891 0.6862 0.6889 1.1103 1.1177 4.6361 4.6458 5.4148 5.4180 5.6404 5.6488 6.3273 6.3438 6.4039 6.4101 6.7380 6.7444 6.9102 6.9148 6.9428 6.9434 7.2610 7.2677 8.3939 8.4019 8.4842 8.4871 8.7834 8.7852 9.4964 9.4986 9.6512 9.6529 k = 0.5000 0.2887 0.2417 ( 21456 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6623 -34.6623 -34.6529 -34.6529 -34.6435 -34.6435 -15.6976 -15.6974 -15.6641 -15.6631 -15.6343 -15.6336 -14.3354 -14.3340 -14.2751 -14.2725 -14.2472 -14.2453 -14.1980 -14.1978 -14.1746 -14.1744 -14.1264 -14.1262 0.4623 0.4652 0.6707 0.6732 1.1039 1.1109 4.6091 4.6182 5.4317 5.4346 5.6556 5.6635 6.3874 6.4037 6.4402 6.4469 6.7496 6.7570 6.9394 6.9415 6.9516 6.9591 7.2810 7.2885 8.3803 8.3877 8.4260 8.4282 8.7584 8.7594 9.5236 9.5266 9.6866 9.6876 k = 0.5000 0.2887 0.2197 ( 21468 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6624 -34.6624 -34.6530 -34.6530 -34.6435 -34.6435 -15.6973 -15.6971 -15.6636 -15.6626 -15.6337 -15.6330 -14.3355 -14.3342 -14.2749 -14.2725 -14.2464 -14.2447 -14.1964 -14.1963 -14.1734 -14.1732 -14.1257 -14.1255 0.4404 0.4431 0.6564 0.6586 1.0979 1.1043 4.5841 4.5926 5.4451 5.4477 5.6694 5.6769 6.4516 6.4671 6.4717 6.4795 6.7582 6.7663 6.9421 6.9433 6.9969 7.0034 7.2979 7.3062 8.3635 8.3680 8.3689 8.3709 8.7330 8.7334 9.5559 9.5593 9.7250 9.7254 k = 0.5000 0.2887 0.1977 ( 21456 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6624 -34.6624 -34.6530 -34.6530 -34.6436 -34.6436 -15.6970 -15.6968 -15.6632 -15.6623 -15.6332 -15.6325 -14.3356 -14.3344 -14.2746 -14.2725 -14.2457 -14.2442 -14.1949 -14.1948 -14.1723 -14.1721 -14.1251 -14.1249 0.4204 0.4228 0.6432 0.6452 1.0923 1.0982 4.5611 4.5689 5.4555 5.4578 5.6819 5.6888 6.4988 6.5060 6.5195 6.5360 6.7639 6.7725 6.9430 6.9439 7.0487 7.0546 7.3112 7.3203 8.3097 8.3106 8.3453 8.3513 8.7076 8.7077 9.5922 9.5957 9.7662 9.7662 k = 0.5000 0.2887 0.1758 ( 21468 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6625 -34.6625 -34.6531 -34.6531 -34.6437 -34.6437 -15.6967 -15.6965 -15.6628 -15.6619 -15.6327 -15.6321 -14.3356 -14.3345 -14.2744 -14.2725 -14.2451 -14.2437 -14.1936 -14.1935 -14.1713 -14.1710 -14.1244 -14.1243 0.4022 0.4044 0.6313 0.6331 1.0871 1.0925 4.5404 4.5474 5.4636 5.4655 5.6931 5.6994 6.5231 6.5309 6.5893 6.6055 6.7673 6.7762 6.9436 6.9445 7.1036 7.1089 7.3201 7.3302 8.2532 8.2534 8.3253 8.3305 8.6823 8.6827 9.6312 9.6347 9.8098 9.8100 k = 0.5000 0.2887 0.1538 ( 21462 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6626 -34.6626 -34.6532 -34.6532 -34.6437 -34.6437 -15.6965 -15.6963 -15.6624 -15.6617 -15.6322 -15.6317 -14.3357 -14.3347 -14.2742 -14.2726 -14.2445 -14.2434 -14.1924 -14.1923 -14.1703 -14.1701 -14.1239 -14.1237 0.3860 0.3879 0.6207 0.6223 1.0825 1.0873 4.5219 4.5282 5.4697 5.4713 5.7030 5.7085 6.5449 6.5529 6.6603 6.6765 6.7688 6.7779 6.9445 6.9453 7.1592 7.1638 7.3239 7.3350 8.1984 8.1988 8.3045 8.3091 8.6579 8.6585 9.6715 9.6747 9.8557 9.8561 k = 0.5000 0.2887 0.1318 ( 21454 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6626 -34.6626 -34.6532 -34.6532 -34.6438 -34.6438 -15.6963 -15.6961 -15.6620 -15.6614 -15.6318 -15.6313 -14.3357 -14.3349 -14.2741 -14.2726 -14.2440 -14.2430 -14.1913 -14.1913 -14.1695 -14.1693 -14.1234 -14.1232 0.3719 0.3735 0.6114 0.6128 1.0784 1.0826 4.5058 4.5113 5.4742 5.4756 5.7114 5.7162 6.5645 6.5725 6.7307 6.7474 6.7691 6.7786 6.9461 6.9468 7.2131 7.2171 7.3218 7.3339 8.1469 8.1477 8.2840 8.2878 8.6349 8.6356 9.7114 9.7144 9.9035 9.9038 k = 0.5000 0.2887 0.1099 ( 21458 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6627 -34.6627 -34.6533 -34.6533 -34.6439 -34.6439 -15.6961 -15.6959 -15.6617 -15.6612 -15.6314 -15.6311 -14.3357 -14.3350 -14.2739 -14.2727 -14.2436 -14.2428 -14.1904 -14.1904 -14.1688 -14.1686 -14.1229 -14.1228 0.3598 0.3612 0.6035 0.6046 1.0750 1.0785 4.4921 4.4967 5.4776 5.4787 5.7186 5.7226 6.5821 6.5899 6.7678 6.7742 6.8031 6.8166 6.9496 6.9500 7.2633 7.2667 7.3129 7.3260 8.1001 8.1013 8.2644 8.2676 8.6138 8.6145 9.7496 9.7521 9.9522 9.9524 k = 0.5000 0.2887 0.0879 ( 21450 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6627 -34.6627 -34.6533 -34.6533 -34.6439 -34.6439 -15.6959 -15.6958 -15.6615 -15.6611 -15.6311 -15.6308 -14.3357 -14.3351 -14.2737 -14.2728 -14.2432 -14.2425 -14.1897 -14.1896 -14.1682 -14.1680 -14.1226 -14.1225 0.3499 0.3510 0.5970 0.5979 1.0722 1.0750 4.4810 4.4847 5.4800 5.4809 5.7245 5.7277 6.5976 6.6048 6.7664 6.7735 6.8642 6.8772 6.9589 6.9603 7.2959 7.3061 7.3113 7.3122 8.0595 8.0610 8.2469 8.2494 8.5952 8.5958 9.7842 9.7863 10.0004 10.0005 k = 0.5000 0.2887 0.0659 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6439 -34.6439 -15.6958 -15.6957 -15.6613 -15.6609 -15.6309 -15.6307 -14.3357 -14.3353 -14.2736 -14.2729 -14.2429 -14.2424 -14.1891 -14.1890 -14.1677 -14.1676 -14.1223 -14.1222 0.3422 0.3431 0.5920 0.5927 1.0701 1.0722 4.4723 4.4751 5.4817 5.4824 5.7291 5.7315 6.6108 6.6170 6.7649 6.7710 6.9062 6.9131 6.9859 6.9937 7.2713 7.2856 7.3457 7.3477 8.0266 8.0280 8.2321 8.2339 8.5798 8.5803 9.8136 9.8152 10.0459 10.0459 k = 0.5000 0.2887 0.0439 ( 21440 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6439 -34.6439 -15.6957 -15.6956 -15.6611 -15.6609 -15.6307 -15.6305 -14.3357 -14.3354 -14.2735 -14.2730 -14.2426 -14.2423 -14.1886 -14.1886 -14.1673 -14.1672 -14.1220 -14.1220 0.3367 0.3373 0.5884 0.5888 1.0686 1.0700 4.4663 4.4681 5.4829 5.4833 5.7325 5.7341 6.6212 6.6258 6.7637 6.7683 6.9218 6.9244 7.0362 7.0485 7.2379 7.2526 7.3738 7.3752 8.0024 8.0035 8.2208 8.2221 8.5682 8.5686 9.8361 9.8373 10.0850 10.0852 k = 0.5000 0.2887 0.0220 ( 21428 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6440 -34.6440 -15.6956 -15.6956 -15.6610 -15.6609 -15.6306 -15.6305 -14.3356 -14.3355 -14.2733 -14.2731 -14.2425 -14.2423 -14.1884 -14.1884 -14.1671 -14.1671 -14.1219 -14.1219 0.3335 0.3338 0.5863 0.5865 1.0679 1.0686 4.4628 4.4638 5.4836 5.4838 5.7346 5.7355 6.6283 6.6308 6.7633 6.7658 6.9267 6.9276 7.0929 7.1067 7.1965 7.2113 7.3915 7.3922 7.9877 7.9884 8.2139 8.2145 8.5610 8.5612 9.8504 9.8510 10.1127 10.1128 k = 0.5000 0.2887-0.0000 ( 21432 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4589 -37.4589 -34.6628 -34.6628 -34.6534 -34.6534 -34.6440 -34.6440 -15.6956 -15.6956 -15.6609 -15.6609 -15.6305 -15.6305 -14.3355 -14.3355 -14.2732 -14.2732 -14.2424 -14.2424 -14.1883 -14.1883 -14.1670 -14.1670 -14.1218 -14.1218 0.3325 0.3325 0.5856 0.5856 1.0679 1.0679 4.4620 4.4620 5.4838 5.4838 5.7356 5.7356 6.6316 6.6316 6.7640 6.7640 6.9281 6.9281 7.1458 7.1458 7.1636 7.1636 7.3977 7.3977 7.9830 7.9830 8.2118 8.2118 8.5586 8.5586 9.8555 9.8555 10.1229 10.1229 k = 0.3333 0.5774-0.0000 ( 21456 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6440 -34.6440 -15.6938 -15.6938 -15.6464 -15.6464 -15.6459 -15.6459 -14.3295 -14.3295 -14.2680 -14.2680 -14.2492 -14.2492 -14.1768 -14.1768 -14.1742 -14.1742 -14.1323 -14.1323 0.5853 0.5853 0.5892 0.5892 0.7552 0.7552 4.9439 4.9439 5.2337 5.2337 5.2468 5.2468 6.8656 6.8656 6.8657 6.8657 6.9766 6.9766 6.9806 6.9806 7.3668 7.3668 7.3840 7.3840 8.0750 8.0750 8.0839 8.0839 8.6109 8.6109 10.2792 10.2792 10.2888 10.2888 k = 0.3333 0.5774 0.0220 ( 21489 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6440 -34.6440 -15.6938 -15.6938 -15.6464 -15.6464 -15.6460 -15.6459 -14.3296 -14.3294 -14.2681 -14.2681 -14.2492 -14.2492 -14.1769 -14.1769 -14.1743 -14.1743 -14.1323 -14.1323 0.5859 0.5864 0.5901 0.5901 0.7559 0.7559 4.9451 4.9451 5.2335 5.2335 5.2465 5.2466 6.8535 6.8578 6.8578 6.8615 6.9801 6.9801 6.9803 6.9885 7.3609 7.3609 7.3837 7.3837 8.0783 8.0783 8.0870 8.0876 8.6135 8.6135 10.2755 10.2755 10.2847 10.2856 k = 0.3333 0.5774 0.0439 ( 21501 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6440 -34.6440 -15.6938 -15.6938 -15.6465 -15.6465 -15.6462 -15.6459 -14.3296 -14.3293 -14.2682 -14.2682 -14.2492 -14.2492 -14.1772 -14.1772 -14.1744 -14.1744 -14.1325 -14.1325 0.5883 0.5892 0.5927 0.5927 0.7579 0.7579 4.9490 4.9490 5.2329 5.2329 5.2457 5.2459 6.8294 6.8368 6.8368 6.8422 6.9865 6.9881 6.9881 6.9996 7.3435 7.3435 7.3829 7.3829 8.0880 8.0880 8.0967 8.0979 8.6214 8.6214 10.2648 10.2648 10.2740 10.2755 k = 0.3333 0.5774 0.0659 ( 21507 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6581 -34.6581 -34.6581 -34.6581 -34.6439 -34.6439 -15.6939 -15.6939 -15.6466 -15.6466 -15.6463 -15.6459 -14.3297 -14.3291 -14.2683 -14.2683 -14.2492 -14.2492 -14.1776 -14.1776 -14.1747 -14.1747 -14.1327 -14.1327 0.5924 0.5937 0.5969 0.5969 0.7613 0.7613 4.9554 4.9554 5.2319 5.2319 5.2443 5.2446 6.7975 6.8071 6.8071 6.8125 6.9950 6.9966 6.9966 7.0102 7.3152 7.3152 7.3815 7.3815 8.1037 8.1037 8.1127 8.1143 8.6339 8.6339 10.2482 10.2482 10.2578 10.2597 k = 0.3333 0.5774 0.0879 ( 21495 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6580 -34.6580 -34.6580 -34.6580 -34.6439 -34.6439 -15.6940 -15.6940 -15.6468 -15.6468 -15.6466 -15.6461 -14.3297 -14.3289 -14.2686 -14.2686 -14.2493 -14.2493 -14.1782 -14.1782 -14.1751 -14.1751 -14.1330 -14.1330 0.5981 0.5999 0.6029 0.6029 0.7661 0.7661 4.9642 4.9642 5.2304 5.2304 5.2424 5.2428 6.7605 6.7716 6.7716 6.7763 7.0025 7.0036 7.0036 7.0185 7.2771 7.2771 7.3795 7.3795 8.1246 8.1246 8.1342 8.1361 8.6504 8.6504 10.2271 10.2271 10.2375 10.2395 k = 0.3333 0.5774 0.1099 ( 21471 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6580 -34.6580 -34.6580 -34.6580 -34.6439 -34.6439 -15.6942 -15.6942 -15.6471 -15.6471 -15.6469 -15.6462 -14.3296 -14.3287 -14.2689 -14.2689 -14.2494 -14.2494 -14.1790 -14.1789 -14.1756 -14.1756 -14.1335 -14.1335 0.6055 0.6077 0.6104 0.6104 0.7721 0.7721 4.9754 4.9754 5.2284 5.2284 5.2399 5.2404 6.7197 6.7321 6.7321 6.7359 7.0077 7.0080 7.0080 7.0238 7.2304 7.2304 7.3769 7.3769 8.1501 8.1501 8.1603 8.1625 8.6703 8.6703 10.2021 10.2021 10.2142 10.2162 k = 0.3333 0.5774 0.1318 ( 21459 PWs) bands (ev): -37.4707 -37.4707 -37.4590 -37.4590 -37.4590 -37.4590 -34.6579 -34.6579 -34.6579 -34.6579 -34.6438 -34.6438 -15.6944 -15.6944 -15.6474 -15.6474 -15.6472 -15.6464 -14.3296 -14.3285 -14.2692 -14.2692 -14.2495 -14.2495 -14.1799 -14.1799 -14.1762 -14.1762 -14.1340 -14.1340 0.6146 0.6172 0.6196 0.6196 0.7795 0.7795 4.9887 4.9887 5.2258 5.2258 5.2368 5.2373 6.6764 6.6896 6.6896 6.6926 7.0097 7.0097 7.0103 7.0261 7.1766 7.1766 7.3737 7.3737 8.1791 8.1791 8.1902 8.1924 8.6928 8.6928 10.1626 10.1626 10.1798 10.1798 k = 0.3333 0.5774 0.1538 ( 21450 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6579 -34.6579 -34.6579 -34.6579 -34.6438 -34.6438 -15.6946 -15.6946 -15.6477 -15.6477 -15.6476 -15.6467 -14.3295 -14.3282 -14.2697 -14.2697 -14.2497 -14.2497 -14.1810 -14.1809 -14.1769 -14.1769 -14.1346 -14.1346 0.6252 0.6282 0.6303 0.6303 0.7881 0.7881 5.0042 5.0042 5.2226 5.2226 5.2328 5.2334 6.6314 6.6453 6.6453 6.6476 7.0085 7.0085 7.0099 7.0253 7.1169 7.1169 7.3698 7.3698 8.2110 8.2110 8.2229 8.2252 8.7173 8.7173 10.0929 10.0929 10.1497 10.1497 k = 0.3333 0.5774 0.1758 ( 21447 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6578 -34.6578 -34.6578 -34.6578 -34.6437 -34.6437 -15.6948 -15.6948 -15.6481 -15.6481 -15.6480 -15.6470 -14.3294 -14.3280 -14.2702 -14.2702 -14.2498 -14.2498 -14.1822 -14.1821 -14.1777 -14.1777 -14.1353 -14.1353 0.6373 0.6407 0.6425 0.6425 0.7980 0.7980 5.0214 5.0214 5.2187 5.2187 5.2281 5.2286 6.5856 6.5999 6.5999 6.6018 7.0045 7.0045 7.0067 7.0215 7.0528 7.0528 7.3652 7.3652 8.2448 8.2448 8.2578 8.2598 8.7433 8.7433 10.0229 10.0229 10.1209 10.1209 k = 0.3333 0.5774 0.1977 ( 21459 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6577 -34.6577 -34.6577 -34.6577 -34.6436 -34.6436 -15.6951 -15.6951 -15.6485 -15.6485 -15.6485 -15.6474 -14.3293 -14.3277 -14.2707 -14.2707 -14.2501 -14.2501 -14.1835 -14.1834 -14.1785 -14.1785 -14.1360 -14.1360 0.6508 0.6546 0.6561 0.6561 0.8091 0.8091 5.0403 5.0403 5.2139 5.2139 5.2223 5.2229 6.5397 6.5542 6.5542 6.5558 6.9847 6.9847 6.9986 6.9986 7.0008 7.0149 7.3600 7.3600 8.2801 8.2801 8.2939 8.2957 8.7703 8.7703 9.9548 9.9548 10.0922 10.0922 k = 0.3333 0.5774 0.2197 ( 21447 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6577 -34.6577 -34.6577 -34.6577 -34.6436 -34.6436 -15.6954 -15.6954 -15.6490 -15.6490 -15.6490 -15.6478 -14.3292 -14.3274 -14.2713 -14.2713 -14.2503 -14.2503 -14.1850 -14.1849 -14.1794 -14.1794 -14.1368 -14.1368 0.6657 0.6699 0.6711 0.6711 0.8213 0.8213 5.0604 5.0604 5.2082 5.2082 5.2156 5.2161 6.4943 6.5089 6.5089 6.5103 6.9154 6.9154 6.9890 6.9890 6.9921 7.0056 7.3540 7.3540 8.3163 8.3163 8.3310 8.3324 8.7981 8.7981 9.8895 9.8895 10.0640 10.0640 k = 0.3333 0.5774 0.2417 ( 21441 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6576 -34.6576 -34.6576 -34.6576 -34.6435 -34.6435 -15.6957 -15.6957 -15.6496 -15.6496 -15.6495 -15.6482 -14.3290 -14.3271 -14.2720 -14.2720 -14.2506 -14.2506 -14.1866 -14.1864 -14.1803 -14.1803 -14.1376 -14.1376 0.6819 0.6864 0.6873 0.6873 0.8347 0.8347 5.0814 5.0814 5.2015 5.2015 5.2077 5.2081 6.4499 6.4644 6.4644 6.4660 6.8447 6.8447 6.9774 6.9774 6.9808 6.9936 7.3472 7.3472 8.3530 8.3530 8.3683 8.3694 8.8264 8.8264 9.8272 9.8272 10.0368 10.0368 k = 0.3333 0.5774 0.2637 ( 21429 PWs) bands (ev): -37.4707 -37.4707 -37.4589 -37.4589 -37.4589 -37.4589 -34.6575 -34.6575 -34.6575 -34.6575 -34.6434 -34.6434 -15.6961 -15.6961 -15.6501 -15.6501 -15.6501 -15.6487 -14.3289 -14.3268 -14.2727 -14.2727 -14.2509 -14.2509 -14.1883 -14.1881 -14.1813 -14.1813 -14.1385 -14.1385 0.6993 0.7041 0.7047 0.7047 0.8490 0.8490 5.1028 5.1028 5.1938 5.1938 5.1985 5.1989 6.4072 6.4214 6.4214 6.4233 6.7740 6.7740 6.9633 6.9633 6.9670 6.9790 7.3397 7.3397 8.3898 8.3898 8.4058 8.4064 8.8549 8.8549 9.7682 9.7682 10.0107 10.0107 k = 0.3333 0.5774 0.2856 ( 21429 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6574 -34.6574 -34.6574 -34.6574 -34.6433 -34.6433 -15.6964 -15.6964 -15.6507 -15.6507 -15.6507 -15.6492 -14.3287 -14.3265 -14.2735 -14.2735 -14.2513 -14.2513 -14.1901 -14.1898 -14.1823 -14.1823 -14.1394 -14.1394 0.7178 0.7228 0.7232 0.7232 0.8644 0.8644 5.1241 5.1241 5.1849 5.1849 5.1881 5.1884 6.3666 6.3802 6.3802 6.3827 6.7044 6.7044 6.9469 6.9469 6.9507 6.9621 7.3315 7.3315 8.4266 8.4266 8.4431 8.4431 8.8836 8.8836 9.7127 9.7127 9.9861 9.9861 k = 0.3333 0.5774 0.3076 ( 21444 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6573 -34.6573 -34.6573 -34.6573 -34.6432 -34.6432 -15.6968 -15.6968 -15.6513 -15.6513 -15.6513 -15.6498 -14.3285 -14.3261 -14.2744 -14.2744 -14.2517 -14.2517 -14.1919 -14.1916 -14.1833 -14.1833 -14.1403 -14.1403 0.7373 0.7425 0.7426 0.7426 0.8807 0.8807 5.1442 5.1442 5.1753 5.1753 5.1763 5.1764 6.3284 6.3414 6.3414 6.3446 6.6369 6.6369 6.9283 6.9283 6.9320 6.9427 7.3224 7.3224 8.4633 8.4633 8.4795 8.4801 8.9122 8.9122 9.6607 9.6607 9.9630 9.9630 k = 0.3333 0.5774 0.3296 ( 21444 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6572 -34.6572 -34.6572 -34.6572 -34.6431 -34.6431 -15.6972 -15.6972 -15.6520 -15.6520 -15.6519 -15.6503 -14.3283 -14.3258 -14.2752 -14.2752 -14.2522 -14.2522 -14.1938 -14.1935 -14.1843 -14.1843 -14.1412 -14.1412 0.7576 0.7628 0.7628 0.7631 0.8978 0.8978 5.1567 5.1567 5.1630 5.1630 5.1704 5.1704 6.2930 6.3052 6.3052 6.3092 6.5725 6.5725 6.9075 6.9075 6.9110 6.9211 7.3126 7.3126 8.4997 8.4997 8.5155 8.5167 8.9404 8.9404 9.6124 9.6124 9.9416 9.9416 k = 0.3333 0.5774 0.3515 ( 21444 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6571 -34.6571 -34.6571 -34.6571 -34.6430 -34.6430 -15.6976 -15.6976 -15.6526 -15.6526 -15.6525 -15.6509 -14.3281 -14.3255 -14.2762 -14.2762 -14.2528 -14.2528 -14.1958 -14.1954 -14.1853 -14.1853 -14.1422 -14.1422 0.7786 0.7838 0.7838 0.7843 0.9157 0.9157 5.1476 5.1476 5.1483 5.1484 5.1838 5.1838 6.2606 6.2718 6.2718 6.2768 6.5125 6.5125 6.8847 6.8847 6.8879 6.8975 7.3021 7.3021 8.5358 8.5358 8.5511 8.5528 8.9680 8.9680 9.5677 9.5677 9.9217 9.9217 k = 0.3333 0.5774 0.3735 ( 21429 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6569 -34.6569 -34.6569 -34.6569 -34.6429 -34.6429 -15.6980 -15.6980 -15.6533 -15.6533 -15.6532 -15.6516 -14.3279 -14.3252 -14.2771 -14.2771 -14.2534 -14.2534 -14.1977 -14.1973 -14.1863 -14.1863 -14.1431 -14.1431 0.8003 0.8053 0.8053 0.8061 0.9342 0.9342 5.1322 5.1323 5.1338 5.1338 5.1975 5.1975 6.2313 6.2415 6.2415 6.2476 6.4577 6.4577 6.8599 6.8599 6.8627 6.8718 7.2910 7.2910 8.5717 8.5717 8.5862 8.5886 8.9945 8.9945 9.5266 9.5266 9.9033 9.9033 k = 0.3333 0.5774 0.3955 ( 21429 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6568 -34.6568 -34.6568 -34.6568 -34.6428 -34.6428 -15.6985 -15.6985 -15.6540 -15.6540 -15.6539 -15.6522 -14.3276 -14.3249 -14.2781 -14.2781 -14.2540 -14.2540 -14.1997 -14.1992 -14.1872 -14.1872 -14.1440 -14.1440 0.8224 0.8273 0.8273 0.8284 0.9533 0.9533 5.1148 5.1151 5.1183 5.1183 5.2077 5.2077 6.2053 6.2145 6.2145 6.2217 6.4095 6.4095 6.8335 6.8335 6.8358 6.8444 7.2792 7.2792 8.6072 8.6072 8.6209 8.6239 9.0195 9.0195 9.4892 9.4892 9.8861 9.8861 k = 0.3333 0.5774 0.4175 ( 21447 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6567 -34.6567 -34.6567 -34.6567 -34.6427 -34.6427 -15.6989 -15.6989 -15.6547 -15.6547 -15.6545 -15.6528 -14.3274 -14.3246 -14.2791 -14.2791 -14.2547 -14.2547 -14.2017 -14.2012 -14.1881 -14.1881 -14.1449 -14.1449 0.8449 0.8496 0.8496 0.8509 0.9728 0.9728 5.0963 5.0966 5.1015 5.1015 5.2133 5.2133 6.1827 6.1906 6.1906 6.1990 6.3686 6.3686 6.8054 6.8054 6.8072 6.8154 7.2670 7.2670 8.6424 8.6424 8.6552 8.6587 9.0423 9.0423 9.4552 9.4552 9.8700 9.8700 k = 0.3333 0.5774 0.4394 ( 21453 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6566 -34.6566 -34.6566 -34.6566 -34.6426 -34.6426 -15.6993 -15.6993 -15.6554 -15.6554 -15.6552 -15.6535 -14.3272 -14.3244 -14.2802 -14.2802 -14.2554 -14.2554 -14.2037 -14.2031 -14.1890 -14.1890 -14.1458 -14.1458 0.8676 0.8720 0.8720 0.8736 0.9927 0.9927 5.0768 5.0772 5.0837 5.0837 5.2134 5.2134 6.1633 6.1700 6.1700 6.1796 6.3359 6.3359 6.7760 6.7760 6.7771 6.7851 7.2543 7.2543 8.6773 8.6773 8.6891 8.6932 9.0623 9.0623 9.4247 9.4247 9.8546 9.8546 k = 0.3333 0.5774 0.4614 ( 21471 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6565 -34.6565 -34.6565 -34.6565 -34.6425 -34.6425 -15.6998 -15.6998 -15.6561 -15.6561 -15.6558 -15.6542 -14.3270 -14.3241 -14.2812 -14.2812 -14.2562 -14.2562 -14.2056 -14.2050 -14.1898 -14.1898 -14.1466 -14.1466 0.8903 0.8945 0.8945 0.8963 1.0127 1.0127 5.0566 5.0571 5.0650 5.0650 5.2077 5.2077 6.1471 6.1526 6.1526 6.1633 6.3119 6.3119 6.7455 6.7455 6.7459 6.7535 7.2413 7.2413 8.7118 8.7118 8.7226 8.7271 9.0786 9.0786 9.3974 9.3974 9.8397 9.8397 k = 0.3333 0.5774 0.4834 ( 21471 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4589 -37.4589 -34.6564 -34.6564 -34.6564 -34.6564 -34.6423 -34.6423 -15.7002 -15.7002 -15.6568 -15.6568 -15.6565 -15.6548 -14.3268 -14.3239 -14.2823 -14.2823 -14.2570 -14.2570 -14.2075 -14.2069 -14.1906 -14.1906 -14.1474 -14.1474 0.9128 0.9168 0.9168 0.9188 1.0329 1.0329 5.0360 5.0365 5.0457 5.0457 5.1961 5.1961 6.1340 6.1383 6.1383 6.1501 6.2965 6.2965 6.7137 6.7139 6.7139 6.7211 7.2280 7.2280 8.7460 8.7460 8.7556 8.7606 9.0905 9.0905 9.3732 9.3732 9.8251 9.8251 k = 0.3333 0.5774 0.5053 ( 21465 PWs) bands (ev): -37.4706 -37.4706 -37.4589 -37.4589 -37.4588 -37.4588 -34.6563 -34.6563 -34.6563 -34.6563 -34.6422 -34.6422 -15.7006 -15.7006 -15.6575 -15.6575 -15.6571 -15.6555 -14.3266 -14.3237 -14.2833 -14.2833 -14.2578 -14.2578 -14.2094 -14.2087 -14.1913 -14.1913 -14.1482 -14.1482 0.9351 0.9388 0.9388 0.9410 1.0530 1.0530 5.0150 5.0155 5.0259 5.0259 5.1789 5.1789 6.1238 6.1271 6.1271 6.1398 6.2894 6.2894 6.6807 6.6817 6.6817 6.6880 7.2147 7.2147 8.7796 8.7796 8.7880 8.7934 9.0972 9.0972 9.3520 9.3520 9.8106 9.8106 k = 0.3333 0.5774 0.5273 ( 21468 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6562 -34.6562 -34.6562 -34.6562 -34.6421 -34.6421 -15.7010 -15.7010 -15.6582 -15.6582 -15.6577 -15.6561 -14.3263 -14.3235 -14.2844 -14.2844 -14.2586 -14.2586 -14.2112 -14.2104 -14.1919 -14.1919 -14.1489 -14.1489 0.9569 0.9603 0.9603 0.9627 1.0728 1.0728 4.9941 4.9946 5.0061 5.0061 5.1569 5.1569 6.1165 6.1188 6.1188 6.1323 6.2898 6.2898 6.6473 6.6489 6.6489 6.6545 7.2015 7.2015 8.8127 8.8127 8.8199 8.8256 9.0986 9.0986 9.3334 9.3334 9.7963 9.7963 k = 0.3333 0.5774 0.5493 ( 21462 PWs) bands (ev): -37.4706 -37.4706 -37.4588 -37.4588 -37.4588 -37.4588 -34.6561 -34.6561 -34.6561 -34.6561 -34.6420 -34.6420 -15.7014 -15.7014 -15.6588 -15.6588 -15.6582 -15.6568 -14.3261 -14.3234 -14.2854 -14.2854 -14.2595 -14.2595 -14.2129 -14.2121 -14.1925 -14.1925 -14.1496 -14.1496 0.9782 0.9812 0.9812 0.9838 1.0924 1.0924 4.9734 4.9739 4.9863 4.9863 5.1310 5.1310 6.1117 6.1133 6.1133 6.1273 6.2965 6.2965 6.6136 6.6159 6.6159 6.6208 7.1884 7.1884 8.8452 8.8452 8.8510 8.8569 9.0947 9.0947 9.3174 9.3174 9.7819 9.7819 k = 0.3333 0.5774 0.5713 ( 21453 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6560 -34.6560 -34.6560 -34.6560 -34.6420 -34.6420 -15.7018 -15.7018 -15.6594 -15.6594 -15.6588 -15.6574 -14.3259 -14.3233 -14.2864 -14.2864 -14.2603 -14.2603 -14.2145 -14.2137 -14.1930 -14.1930 -14.1502 -14.1502 0.9987 1.0013 1.0013 1.0040 1.1114 1.1114 4.9533 4.9538 4.9670 4.9670 5.1024 5.1024 6.1095 6.1105 6.1105 6.1248 6.3083 6.3083 6.5799 6.5829 6.5829 6.5871 7.1757 7.1757 8.8767 8.8767 8.8812 8.8873 9.0860 9.0860 9.3036 9.3036 9.7675 9.7675 k = 0.3333 0.5774 0.5932 ( 21441 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6559 -34.6559 -34.6559 -34.6559 -34.6419 -34.6419 -15.7022 -15.7022 -15.6600 -15.6600 -15.6593 -15.6580 -14.3257 -14.3232 -14.2873 -14.2873 -14.2611 -14.2611 -14.2160 -14.2152 -14.1934 -14.1934 -14.1508 -14.1508 1.0182 1.0206 1.0206 1.0233 1.1297 1.1297 4.9339 4.9343 4.9482 4.9482 5.0720 5.0720 6.1096 6.1101 6.1101 6.1246 6.3241 6.3241 6.5464 6.5500 6.5500 6.5537 7.1634 7.1634 8.9073 8.9073 8.9103 8.9165 9.0734 9.0734 9.2918 9.2918 9.7529 9.7529 k = 0.3333 0.5774 0.6152 ( 21441 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6558 -34.6558 -34.6558 -34.6558 -34.6418 -34.6418 -15.7025 -15.7025 -15.6606 -15.6606 -15.6598 -15.6585 -14.3255 -14.3231 -14.2882 -14.2882 -14.2619 -14.2619 -14.2174 -14.2166 -14.1938 -14.1938 -14.1513 -14.1513 1.0367 1.0387 1.0387 1.0415 1.1471 1.1471 4.9155 4.9159 4.9302 4.9302 5.0412 5.0412 6.1118 6.1121 6.1121 6.1265 6.3425 6.3425 6.5134 6.5175 6.5175 6.5207 7.1517 7.1517 8.9365 8.9365 8.9383 8.9445 9.0581 9.0581 9.2818 9.2818 9.7381 9.7381 k = 0.3333 0.5774 0.6372 ( 21423 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6557 -34.6557 -34.6557 -34.6557 -34.6417 -34.6417 -15.7029 -15.7029 -15.6611 -15.6611 -15.6602 -15.6591 -14.3253 -14.3231 -14.2890 -14.2890 -14.2627 -14.2627 -14.2186 -14.2179 -14.1942 -14.1942 -14.1518 -14.1518 1.0540 1.0556 1.0556 1.0584 1.1635 1.1635 4.8982 4.8986 4.9133 4.9133 5.0107 5.0107 6.1161 6.1162 6.1162 6.1305 6.3625 6.3625 6.4810 6.4857 6.4857 6.4885 7.1407 7.1407 8.9640 8.9640 8.9648 8.9708 9.0415 9.0415 9.2735 9.2735 9.7231 9.7231 k = 0.3333 0.5774 0.6591 ( 21420 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6556 -34.6556 -34.6556 -34.6556 -34.6416 -34.6416 -15.7032 -15.7032 -15.6616 -15.6616 -15.6606 -15.6596 -14.3252 -14.3231 -14.2898 -14.2898 -14.2634 -14.2634 -14.2198 -14.2191 -14.1945 -14.1945 -14.1522 -14.1522 1.0699 1.0711 1.0711 1.0740 1.1788 1.1788 4.8823 4.8827 4.8976 4.8976 4.9814 4.9814 6.1222 6.1224 6.1224 6.1363 6.3827 6.3827 6.4493 6.4548 6.4548 6.4571 7.1306 7.1306 8.9877 8.9877 8.9896 8.9955 9.0261 9.0261 9.2666 9.2666 9.7082 9.7082 k = 0.3333 0.5774 0.6811 ( 21420 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6556 -34.6556 -34.6556 -34.6556 -34.6416 -34.6416 -15.7034 -15.7034 -15.6620 -15.6620 -15.6609 -15.6600 -14.3250 -14.3231 -14.2905 -14.2905 -14.2640 -14.2640 -14.2208 -14.2202 -14.1948 -14.1948 -14.1526 -14.1526 1.0843 1.0852 1.0852 1.0880 1.1927 1.1927 4.8680 4.8682 4.8832 4.8832 4.9542 4.9542 6.1303 6.1305 6.1305 6.1439 6.4010 6.4010 6.4187 6.4264 6.4264 6.4267 7.1213 7.1213 8.9951 8.9951 9.0126 9.0181 9.0253 9.0253 9.2611 9.2611 9.6935 9.6935 k = 0.3333 0.5774 0.7031 ( 21420 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6555 -34.6555 -34.6555 -34.6555 -34.6415 -34.6415 -15.7037 -15.7037 -15.6624 -15.6624 -15.6612 -15.6604 -14.3248 -14.3232 -14.2911 -14.2911 -14.2646 -14.2646 -14.2217 -14.2211 -14.1950 -14.1950 -14.1529 -14.1529 1.0972 1.0976 1.0976 1.1003 1.2050 1.2050 4.8552 4.8555 4.8704 4.8704 4.9296 4.9296 6.1400 6.1404 6.1404 6.1532 6.3892 6.3919 6.3919 6.3975 6.4255 6.4255 7.1132 7.1132 8.9825 8.9825 9.0334 9.0384 9.0433 9.0433 9.2568 9.2568 9.6794 9.6794 k = 0.3333 0.5774 0.7251 ( 21423 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6555 -34.6555 -34.6555 -34.6555 -34.6415 -34.6415 -15.7039 -15.7039 -15.6627 -15.6627 -15.6615 -15.6608 -14.3246 -14.3232 -14.2917 -14.2917 -14.2651 -14.2651 -14.2224 -14.2220 -14.1952 -14.1952 -14.1532 -14.1532 1.1082 1.1083 1.1083 1.1109 1.2158 1.2158 4.8443 4.8444 4.8591 4.8591 4.9081 4.9081 6.1514 6.1519 6.1519 6.1642 6.3610 6.3650 6.3650 6.3695 6.4417 6.4417 7.1061 7.1061 8.9679 8.9679 9.0517 9.0561 9.0623 9.0623 9.2534 9.2534 9.6664 9.6664 k = 0.3333 0.5774 0.7470 ( 21426 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6554 -34.6554 -34.6554 -34.6554 -34.6414 -34.6414 -15.7040 -15.7040 -15.6630 -15.6630 -15.6617 -15.6611 -14.3244 -14.3233 -14.2921 -14.2921 -14.2656 -14.2656 -14.2230 -14.2226 -14.1953 -14.1953 -14.1534 -14.1534 1.1172 1.1172 1.1175 1.1197 1.2248 1.2248 4.8352 4.8353 4.8495 4.8495 4.8903 4.8903 6.1644 6.1650 6.1650 6.1766 6.3343 6.3386 6.3386 6.3431 6.4565 6.4565 7.1002 7.1002 8.9548 8.9548 9.0673 9.0710 9.0790 9.0790 9.2510 9.2510 9.6548 9.6548 k = 0.3333 0.5774 0.7690 ( 21432 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6554 -34.6554 -34.6554 -34.6554 -34.6414 -34.6414 -15.7042 -15.7042 -15.6632 -15.6632 -15.6618 -15.6614 -14.3243 -14.3234 -14.2925 -14.2925 -14.2659 -14.2659 -14.2235 -14.2232 -14.1954 -14.1954 -14.1536 -14.1536 1.1242 1.1242 1.1248 1.1265 1.2319 1.2319 4.8280 4.8281 4.8416 4.8416 4.8763 4.8763 6.1787 6.1794 6.1794 6.1903 6.3093 6.3138 6.3138 6.3183 6.4686 6.4686 7.0955 7.0955 8.9440 8.9440 9.0799 9.0828 9.0926 9.0926 9.2493 9.2493 9.6451 9.6451 k = 0.3333 0.5774 0.7910 ( 21426 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6554 -34.6554 -34.6554 -34.6554 -34.6414 -34.6414 -15.7042 -15.7042 -15.6633 -15.6633 -15.6619 -15.6616 -14.3241 -14.3235 -14.2927 -14.2927 -14.2661 -14.2661 -14.2238 -14.2236 -14.1955 -14.1955 -14.1537 -14.1537 1.1293 1.1293 1.1302 1.1313 1.2370 1.2370 4.8229 4.8229 4.8358 4.8358 4.8664 4.8664 6.1942 6.1946 6.1946 6.2047 6.2867 6.2911 6.2911 6.2955 6.4775 6.4775 7.0922 7.0922 8.9360 8.9360 9.0893 9.0913 9.1026 9.1026 9.2482 9.2482 9.6378 9.6378 k = 0.3333 0.5774 0.8129 ( 21438 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6553 -34.6553 -34.6553 -34.6553 -34.6414 -34.6414 -15.7043 -15.7043 -15.6634 -15.6634 -15.6619 -15.6617 -14.3240 -14.3237 -14.2929 -14.2929 -14.2663 -14.2663 -14.2240 -14.2239 -14.1955 -14.1955 -14.1538 -14.1538 1.1323 1.1323 1.1336 1.1341 1.2401 1.2401 4.8198 4.8198 4.8321 4.8321 4.8605 4.8605 6.2088 6.2088 6.2096 6.2176 6.2687 6.2723 6.2723 6.2758 6.4830 6.4830 7.0901 7.0901 8.9312 8.9312 9.0952 9.0962 9.1088 9.1088 9.2476 9.2476 9.6332 9.6332 k = 0.3333 0.5774 0.8349 ( 21438 PWs) bands (ev): -37.4705 -37.4705 -37.4588 -37.4588 -37.4588 -37.4588 -34.6553 -34.6553 -34.6553 -34.6553 -34.6414 -34.6414 -15.7043 -15.7043 -15.6635 -15.6635 -15.6618 -15.6618 -14.3238 -14.3238 -14.2929 -14.2929 -14.2663 -14.2663 -14.2240 -14.2240 -14.1955 -14.1955 -14.1538 -14.1538 1.1334 1.1334 1.1349 1.1349 1.2412 1.2412 4.8187 4.8187 4.8309 4.8309 4.8585 4.8585 6.2160 6.2160 6.2208 6.2208 6.2635 6.2635 6.2636 6.2636 6.4849 6.4849 7.0895 7.0895 8.9295 8.9295 9.0975 9.0975 9.1108 9.1108 9.2475 9.2475 9.6317 9.6317 Writing output data file LiYSi.save init_run : 4.65s CPU 14.33s WALL ( 1 calls) electrons : 1898.83s CPU 1914.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.25s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 1898.80s CPU 1913.80s WALL ( 1 calls) v_of_rho : 0.15s CPU 1.17s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.61s WALL ( 1 calls) newd : 0.89s CPU 0.99s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.49s CPU 0.63s WALL ( 265 calls) cegterg : 1608.18s CPU 1619.32s WALL ( 517 calls) Called by sum_band: Called by *egterg: h_psi : 1081.33s CPU 1089.24s WALL ( 8217 calls) s_psi : 110.39s CPU 110.54s WALL ( 8217 calls) g_psi : 3.04s CPU 3.07s WALL ( 7435 calls) cdiaghg : 257.21s CPU 255.74s WALL ( 7700 calls) cegterg:over : 134.99s CPU 133.09s WALL ( 7435 calls) cegterg:upda : 68.74s CPU 71.06s WALL ( 7435 calls) cegterg:last : 59.63s CPU 60.24s WALL ( 1569 calls) Called by h_psi: h_psi:vloc : 856.39s CPU 861.76s WALL ( 8217 calls) h_psi:vnl : 220.62s CPU 222.60s WALL ( 8217 calls) add_vuspsi : 95.84s CPU 98.83s WALL ( 8217 calls) General routines calbec : 124.72s CPU 123.64s WALL ( 8217 calls) fft : 0.33s CPU 1.22s WALL ( 15 calls) fftw : 795.31s CPU 798.26s WALL ( 1164068 calls) davcio : 0.05s CPU 3.97s WALL ( 530 calls) Parallel routines fft_scatter : 300.11s CPU 304.69s WALL ( 1164083 calls) PWSCF : 34m 5.76s CPU 38m59.57s WALL This run was terminated on: 13:29:25 11Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=