Program PWSCF v.5.1.1 starts on 31Jul2015 at 5:44:11 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: ./CaGe2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 22 15 4 1544 841 130 Max 23 16 5 1557 870 145 Sum 1099 745 211 74459 41111 6507 bravais-lattice index = 14 lattice parameter (alat) = 7.6402 a.u. unit-cell volume = 972.1973 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.640162 celldm(2)= 1.000000 celldm(3)= 2.517190 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 2.517190 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.397268 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2585951 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0033003 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0033003 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0033003 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0033003 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0033003 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0033003 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0033003 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0033003 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0033003 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0033003 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0033003 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0033003 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0033003 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0033003 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0033003 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0033003 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0033003 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0033003 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0033003 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0033003 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0033003 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0033003 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0033003 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0033003 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0033003 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0033003 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0033003 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0033003 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0033003 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0033003 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0033003 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0033003 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0033003 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0033003 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0033003 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.0124146), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.0248293), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.0372439), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.0496585), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.0620732), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.0744878), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.0869025), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.0993171), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.1117317), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.1241464), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.1365610), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.1489756), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.1613903), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.1738049), wk = 0.0033003 k( 142) = ( 0.0000000 0.0000000 0.1862195), wk = 0.0033003 k( 143) = ( 0.0000000 0.0000000 0.1986342), wk = 0.0033003 k( 144) = ( 0.0000000 0.0000000 0.1986342), wk = 0.0033003 k( 145) = ( 0.0111111 0.0064150 0.1986342), wk = 0.0033003 k( 146) = ( 0.0222222 0.0128300 0.1986342), wk = 0.0033003 k( 147) = ( 0.0333333 0.0192450 0.1986342), wk = 0.0033003 k( 148) = ( 0.0444444 0.0256600 0.1986342), wk = 0.0033003 k( 149) = ( 0.0555556 0.0320750 0.1986342), wk = 0.0033003 k( 150) = ( 0.0666667 0.0384900 0.1986342), wk = 0.0033003 k( 151) = ( 0.0777778 0.0449050 0.1986342), wk = 0.0033003 k( 152) = ( 0.0888889 0.0513200 0.1986342), wk = 0.0033003 k( 153) = ( 0.1000000 0.0577350 0.1986342), wk = 0.0033003 k( 154) = ( 0.1111111 0.0641500 0.1986342), wk = 0.0033003 k( 155) = ( 0.1222222 0.0705650 0.1986342), wk = 0.0033003 k( 156) = ( 0.1333333 0.0769800 0.1986342), wk = 0.0033003 k( 157) = ( 0.1444444 0.0833950 0.1986342), wk = 0.0033003 k( 158) = ( 0.1555556 0.0898100 0.1986342), wk = 0.0033003 k( 159) = ( 0.1666667 0.0962250 0.1986342), wk = 0.0033003 k( 160) = ( 0.1777778 0.1026400 0.1986342), wk = 0.0033003 k( 161) = ( 0.1888889 0.1090551 0.1986342), wk = 0.0033003 k( 162) = ( 0.2000000 0.1154701 0.1986342), wk = 0.0033003 k( 163) = ( 0.2111111 0.1218851 0.1986342), wk = 0.0033003 k( 164) = ( 0.2222222 0.1283001 0.1986342), wk = 0.0033003 k( 165) = ( 0.2333333 0.1347151 0.1986342), wk = 0.0033003 k( 166) = ( 0.2444444 0.1411301 0.1986342), wk = 0.0033003 k( 167) = ( 0.2555556 0.1475451 0.1986342), wk = 0.0033003 k( 168) = ( 0.2666667 0.1539601 0.1986342), wk = 0.0033003 k( 169) = ( 0.2777778 0.1603751 0.1986342), wk = 0.0033003 k( 170) = ( 0.2888889 0.1667901 0.1986342), wk = 0.0033003 k( 171) = ( 0.3000000 0.1732051 0.1986342), wk = 0.0033003 k( 172) = ( 0.3111111 0.1796201 0.1986342), wk = 0.0033003 k( 173) = ( 0.3222222 0.1860351 0.1986342), wk = 0.0033003 k( 174) = ( 0.3333333 0.1924501 0.1986342), wk = 0.0033003 k( 175) = ( 0.3444444 0.1988651 0.1986342), wk = 0.0033003 k( 176) = ( 0.3555556 0.2052801 0.1986342), wk = 0.0033003 k( 177) = ( 0.3666667 0.2116951 0.1986342), wk = 0.0033003 k( 178) = ( 0.3777778 0.2181101 0.1986342), wk = 0.0033003 k( 179) = ( 0.3888889 0.2245251 0.1986342), wk = 0.0033003 k( 180) = ( 0.4000000 0.2309401 0.1986342), wk = 0.0033003 k( 181) = ( 0.4111111 0.2373551 0.1986342), wk = 0.0033003 k( 182) = ( 0.4222222 0.2437701 0.1986342), wk = 0.0033003 k( 183) = ( 0.4333333 0.2501851 0.1986342), wk = 0.0033003 k( 184) = ( 0.4444444 0.2566001 0.1986342), wk = 0.0033003 k( 185) = ( 0.4555556 0.2630151 0.1986342), wk = 0.0033003 k( 186) = ( 0.4666667 0.2694301 0.1986342), wk = 0.0033003 k( 187) = ( 0.4777778 0.2758451 0.1986342), wk = 0.0033003 k( 188) = ( 0.4888889 0.2822601 0.1986342), wk = 0.0033003 k( 189) = ( 0.5000000 0.2886751 0.1986342), wk = 0.0033003 k( 190) = ( 0.5000000 0.2886751 0.1986342), wk = 0.0033003 k( 191) = ( 0.4935897 0.2997780 0.1986342), wk = 0.0033003 k( 192) = ( 0.4871795 0.3108809 0.1986342), wk = 0.0033003 k( 193) = ( 0.4807692 0.3219838 0.1986342), wk = 0.0033003 k( 194) = ( 0.4743590 0.3330867 0.1986342), wk = 0.0033003 k( 195) = ( 0.4679487 0.3441896 0.1986342), wk = 0.0033003 k( 196) = ( 0.4615385 0.3552925 0.1986342), wk = 0.0033003 k( 197) = ( 0.4551282 0.3663954 0.1986342), wk = 0.0033003 k( 198) = ( 0.4487179 0.3774983 0.1986342), wk = 0.0033003 k( 199) = ( 0.4423077 0.3886011 0.1986342), wk = 0.0033003 k( 200) = ( 0.4358974 0.3997040 0.1986342), wk = 0.0033003 k( 201) = ( 0.4294872 0.4108069 0.1986342), wk = 0.0033003 k( 202) = ( 0.4230769 0.4219098 0.1986342), wk = 0.0033003 k( 203) = ( 0.4166667 0.4330127 0.1986342), wk = 0.0033003 k( 204) = ( 0.4102564 0.4441156 0.1986342), wk = 0.0033003 k( 205) = ( 0.4038462 0.4552185 0.1986342), wk = 0.0033003 k( 206) = ( 0.3974359 0.4663214 0.1986342), wk = 0.0033003 k( 207) = ( 0.3910256 0.4774243 0.1986342), wk = 0.0033003 k( 208) = ( 0.3846154 0.4885271 0.1986342), wk = 0.0033003 k( 209) = ( 0.3782051 0.4996300 0.1986342), wk = 0.0033003 k( 210) = ( 0.3717949 0.5107329 0.1986342), wk = 0.0033003 k( 211) = ( 0.3653846 0.5218358 0.1986342), wk = 0.0033003 k( 212) = ( 0.3589744 0.5329387 0.1986342), wk = 0.0033003 k( 213) = ( 0.3525641 0.5440416 0.1986342), wk = 0.0033003 k( 214) = ( 0.3461538 0.5551445 0.1986342), wk = 0.0033003 k( 215) = ( 0.3397436 0.5662474 0.1986342), wk = 0.0033003 k( 216) = ( 0.3333333 0.5773503 0.1986342), wk = 0.0033003 k( 217) = ( 0.3333333 0.5773503 0.1986342), wk = 0.0033003 k( 218) = ( 0.3269231 0.5662474 0.1986342), wk = 0.0033003 k( 219) = ( 0.3205128 0.5551445 0.1986342), wk = 0.0033003 k( 220) = ( 0.3141026 0.5440416 0.1986342), wk = 0.0033003 k( 221) = ( 0.3076923 0.5329387 0.1986342), wk = 0.0033003 k( 222) = ( 0.3012821 0.5218358 0.1986342), wk = 0.0033003 k( 223) = ( 0.2948718 0.5107329 0.1986342), wk = 0.0033003 k( 224) = ( 0.2884615 0.4996300 0.1986342), wk = 0.0033003 k( 225) = ( 0.2820513 0.4885271 0.1986342), wk = 0.0033003 k( 226) = ( 0.2756410 0.4774243 0.1986342), wk = 0.0033003 k( 227) = ( 0.2692308 0.4663214 0.1986342), wk = 0.0033003 k( 228) = ( 0.2628205 0.4552185 0.1986342), wk = 0.0033003 k( 229) = ( 0.2564103 0.4441156 0.1986342), wk = 0.0033003 k( 230) = ( 0.2500000 0.4330127 0.1986342), wk = 0.0033003 k( 231) = ( 0.2435897 0.4219098 0.1986342), wk = 0.0033003 k( 232) = ( 0.2371795 0.4108069 0.1986342), wk = 0.0033003 k( 233) = ( 0.2307692 0.3997040 0.1986342), wk = 0.0033003 k( 234) = ( 0.2243590 0.3886011 0.1986342), wk = 0.0033003 k( 235) = ( 0.2179487 0.3774983 0.1986342), wk = 0.0033003 k( 236) = ( 0.2115385 0.3663954 0.1986342), wk = 0.0033003 k( 237) = ( 0.2051282 0.3552925 0.1986342), wk = 0.0033003 k( 238) = ( 0.1987180 0.3441896 0.1986342), wk = 0.0033003 k( 239) = ( 0.1923077 0.3330867 0.1986342), wk = 0.0033003 k( 240) = ( 0.1858974 0.3219838 0.1986342), wk = 0.0033003 k( 241) = ( 0.1794872 0.3108809 0.1986342), wk = 0.0033003 k( 242) = ( 0.1730769 0.2997780 0.1986342), wk = 0.0033003 k( 243) = ( 0.1666667 0.2886751 0.1986342), wk = 0.0033003 k( 244) = ( 0.1602564 0.2775722 0.1986342), wk = 0.0033003 k( 245) = ( 0.1538461 0.2664693 0.1986342), wk = 0.0033003 k( 246) = ( 0.1474359 0.2553665 0.1986342), wk = 0.0033003 k( 247) = ( 0.1410256 0.2442636 0.1986342), wk = 0.0033003 k( 248) = ( 0.1346154 0.2331607 0.1986342), wk = 0.0033003 k( 249) = ( 0.1282051 0.2220578 0.1986342), wk = 0.0033003 k( 250) = ( 0.1217949 0.2109549 0.1986342), wk = 0.0033003 k( 251) = ( 0.1153846 0.1998520 0.1986342), wk = 0.0033003 k( 252) = ( 0.1089744 0.1887491 0.1986342), wk = 0.0033003 k( 253) = ( 0.1025641 0.1776462 0.1986342), wk = 0.0033003 k( 254) = ( 0.0961538 0.1665434 0.1986342), wk = 0.0033003 k( 255) = ( 0.0897436 0.1554405 0.1986342), wk = 0.0033003 k( 256) = ( 0.0833333 0.1443376 0.1986342), wk = 0.0033003 k( 257) = ( 0.0769231 0.1332347 0.1986342), wk = 0.0033003 k( 258) = ( 0.0705128 0.1221318 0.1986342), wk = 0.0033003 k( 259) = ( 0.0641026 0.1110289 0.1986342), wk = 0.0033003 k( 260) = ( 0.0576923 0.0999260 0.1986342), wk = 0.0033003 k( 261) = ( 0.0512821 0.0888231 0.1986342), wk = 0.0033003 k( 262) = ( 0.0448718 0.0777202 0.1986342), wk = 0.0033003 k( 263) = ( 0.0384615 0.0666173 0.1986342), wk = 0.0033003 k( 264) = ( 0.0320513 0.0555144 0.1986342), wk = 0.0033003 k( 265) = ( 0.0256410 0.0444116 0.1986342), wk = 0.0033003 k( 266) = ( 0.0192308 0.0333087 0.1986342), wk = 0.0033003 k( 267) = ( 0.0128205 0.0222058 0.1986342), wk = 0.0033003 k( 268) = ( 0.0064103 0.0111029 0.1986342), wk = 0.0033003 k( 269) = ( 0.0000000 0.0000000 0.1986342), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.1986342), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.1862195), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 0.1738049), wk = 0.0033003 k( 273) = ( 0.5000000 0.2886751 0.1613903), wk = 0.0033003 k( 274) = ( 0.5000000 0.2886751 0.1489756), wk = 0.0033003 k( 275) = ( 0.5000000 0.2886751 0.1365610), wk = 0.0033003 k( 276) = ( 0.5000000 0.2886751 0.1241464), wk = 0.0033003 k( 277) = ( 0.5000000 0.2886751 0.1117317), wk = 0.0033003 k( 278) = ( 0.5000000 0.2886751 0.0993171), wk = 0.0033003 k( 279) = ( 0.5000000 0.2886751 0.0869025), wk = 0.0033003 k( 280) = ( 0.5000000 0.2886751 0.0744878), wk = 0.0033003 k( 281) = ( 0.5000000 0.2886751 0.0620732), wk = 0.0033003 k( 282) = ( 0.5000000 0.2886751 0.0496585), wk = 0.0033003 k( 283) = ( 0.5000000 0.2886751 0.0372439), wk = 0.0033003 k( 284) = ( 0.5000000 0.2886751 0.0248293), wk = 0.0033003 k( 285) = ( 0.5000000 0.2886751 0.0124146), wk = 0.0033003 k( 286) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.0124146), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.0248293), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.0372439), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.0496585), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.0620732), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.0744878), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.0869025), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.0993171), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.1117317), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.1241464), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.1365610), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.1489756), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.1613903), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.1738049), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.1862195), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.1986342), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0111111 0.0000000 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0222222 0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0033003 k( 5) = ( 0.0444444 0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0888889 0.0000000 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0033003 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0033003 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.1777778 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0033003 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0033003 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0033003 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0033003 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0033003 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0033003 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3555556 0.0000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0033003 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0033003 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0033003 k( 44) = ( 0.4777778 0.0000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0033003 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0033003 k( 49) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0033003 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0033003 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0033003 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0033003 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0033003 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0033003 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0033003 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0033003 k( 60) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 61) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0033003 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0033003 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0033003 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0033003 k( 70) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0033003 k( 76) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0033003 k( 77) = ( 0.3141026 0.3141026 -0.0000000), wk = 0.0033003 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0033003 k( 79) = ( 0.3012821 0.3012821 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0033003 k( 82) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2628205 0.2628205 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033003 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0033003 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0033003 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0033003 k( 91) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0033003 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0033003 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0033003 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0033003 k( 95) = ( 0.1987180 0.1987180 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0033003 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0033003 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0033003 k( 100) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0033003 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0033003 k( 104) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0033003 k( 105) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0033003 k( 106) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0033003 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0033003 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0033003 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0033003 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0033003 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0033003 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033003 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0033003 k( 115) = ( 0.0705128 0.0705128 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0033003 k( 118) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0033003 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0033003 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0033003 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0033003 k( 122) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0033003 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0033003 k( 124) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0033003 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033003 k( 142) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0033003 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0033003 k( 186) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0033003 k( 187) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0033003 k( 188) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0033003 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 191) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0033003 k( 192) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0033003 k( 193) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0033003 k( 194) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0033003 k( 195) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0033003 k( 196) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0033003 k( 197) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0033003 k( 198) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0033003 k( 199) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0033003 k( 200) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0033003 k( 201) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0033003 k( 202) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0033003 k( 203) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 204) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0033003 k( 205) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0033003 k( 206) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0033003 k( 207) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0033003 k( 208) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0033003 k( 209) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0033003 k( 210) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0033003 k( 211) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0033003 k( 212) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0033003 k( 213) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0033003 k( 214) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0033003 k( 215) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0033003 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 218) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0033003 k( 219) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0033003 k( 220) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0033003 k( 221) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0033003 k( 222) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0033003 k( 223) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0033003 k( 224) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0033003 k( 225) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0033003 k( 226) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0033003 k( 227) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0033003 k( 228) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0033003 k( 229) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0033003 k( 230) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 231) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0033003 k( 232) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0033003 k( 233) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0033003 k( 234) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0033003 k( 235) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0033003 k( 236) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0033003 k( 237) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0033003 k( 238) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0033003 k( 239) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0033003 k( 240) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0033003 k( 241) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0033003 k( 242) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0033003 k( 243) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033003 k( 244) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0033003 k( 245) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0033003 k( 246) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0033003 k( 247) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0033003 k( 248) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0033003 k( 249) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0033003 k( 250) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0033003 k( 251) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0033003 k( 252) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0033003 k( 253) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0033003 k( 254) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0033003 k( 255) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0033003 k( 256) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033003 k( 257) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0033003 k( 258) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0033003 k( 259) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0033003 k( 260) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0033003 k( 261) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0033003 k( 262) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0033003 k( 263) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0033003 k( 264) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0033003 k( 265) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0033003 k( 266) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0033003 k( 267) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0033003 k( 268) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0033003 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0033003 k( 273) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0033003 k( 274) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033003 k( 275) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0033003 k( 276) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0033003 k( 277) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0033003 k( 278) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 279) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0033003 k( 280) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0033003 k( 281) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0033003 k( 282) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033003 k( 283) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0033003 k( 284) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0033003 k( 285) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0033003 k( 286) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 74459 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 41111 G-vectors FFT dimensions: ( 36, 36, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 242, 44) NL pseudopotentials 0.23 Mb ( 121, 124) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1557) G-vector shells 0.01 Mb ( 753) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 242, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./CaGe2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.3 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 4 total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 58.3 secs Computing kpt #: 6 total cpu time spent up to now is 60.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.6 secs Computing kpt #: 8 total cpu time spent up to now is 66.3 secs Computing kpt #: 9 total cpu time spent up to now is 68.7 secs Computing kpt #: 10 total cpu time spent up to now is 71.0 secs Computing kpt #: 11 total cpu time spent up to now is 73.2 secs Computing kpt #: 12 total cpu time spent up to now is 75.4 secs Computing kpt #: 13 total cpu time spent up to now is 77.8 secs Computing kpt #: 14 total cpu time spent up to now is 80.3 secs Computing kpt #: 15 total cpu time spent up to now is 82.8 secs Computing kpt #: 16 total cpu time spent up to now is 85.5 secs Computing kpt #: 17 total cpu time spent up to now is 88.2 secs Computing kpt #: 18 total cpu time spent up to now is 91.0 secs Computing kpt #: 19 total cpu time spent up to now is 93.8 secs Computing kpt #: 20 total cpu time spent up to now is 96.5 secs Computing kpt #: 21 total cpu time spent up to now is 99.0 secs Computing kpt #: 22 total cpu time spent up to now is 101.6 secs Computing kpt #: 23 total cpu time spent up to now is 104.2 secs Computing kpt #: 24 total cpu time spent up to now is 106.6 secs Computing kpt #: 25 total cpu time spent up to now is 109.2 secs Computing kpt #: 26 total cpu time spent up to now is 111.8 secs Computing kpt #: 27 total cpu time spent up to now is 114.4 secs Computing kpt #: 28 total cpu time spent up to now is 117.1 secs Computing kpt #: 29 total cpu time spent up to now is 120.0 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.4 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.9 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.5 secs Computing kpt #: 34 total cpu time spent up to now is 137.3 secs Computing kpt #: 35 total cpu time spent up to now is 140.1 secs Computing kpt #: 36 total cpu time spent up to now is 142.3 secs Computing kpt #: 37 total cpu time spent up to now is 144.5 secs Computing kpt #: 38 total cpu time spent up to now is 146.7 secs Computing kpt #: 39 total cpu time spent up to now is 148.9 secs Computing kpt #: 40 total cpu time spent up to now is 150.9 secs Computing kpt #: 41 total cpu time spent up to now is 153.0 secs Computing kpt #: 42 total cpu time spent up to now is 155.0 secs Computing kpt #: 43 total cpu time spent up to now is 157.1 secs Computing kpt #: 44 total cpu time spent up to now is 159.1 secs Computing kpt #: 45 total cpu time spent up to now is 161.1 secs Computing kpt #: 46 total cpu time spent up to now is 163.0 secs Computing kpt #: 47 total cpu time spent up to now is 164.9 secs Computing kpt #: 48 total cpu time spent up to now is 166.9 secs Computing kpt #: 49 total cpu time spent up to now is 168.9 secs Computing kpt #: 50 total cpu time spent up to now is 170.9 secs Computing kpt #: 51 total cpu time spent up to now is 172.9 secs Computing kpt #: 52 total cpu time spent up to now is 175.1 secs Computing kpt #: 53 total cpu time spent up to now is 177.4 secs Computing kpt #: 54 total cpu time spent up to now is 180.2 secs Computing kpt #: 55 total cpu time spent up to now is 183.6 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.2 secs Computing kpt #: 57 total cpu time spent up to now is 190.7 secs Computing kpt #: 58 total cpu time spent up to now is 193.3 secs Computing kpt #: 59 total cpu time spent up to now is 196.0 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 61 total cpu time spent up to now is 202.1 secs Computing kpt #: 62 total cpu time spent up to now is 204.5 secs Computing kpt #: 63 total cpu time spent up to now is 206.9 secs Computing kpt #: 64 total cpu time spent up to now is 209.3 secs Computing kpt #: 65 total cpu time spent up to now is 211.5 secs Computing kpt #: 66 total cpu time spent up to now is 213.8 secs Computing kpt #: 67 total cpu time spent up to now is 216.3 secs Computing kpt #: 68 total cpu time spent up to now is 218.8 secs Computing kpt #: 69 total cpu time spent up to now is 221.7 secs Computing kpt #: 70 total cpu time spent up to now is 224.8 secs Computing kpt #: 71 total cpu time spent up to now is 227.9 secs Computing kpt #: 72 total cpu time spent up to now is 231.0 secs Computing kpt #: 73 total cpu time spent up to now is 234.2 secs Computing kpt #: 74 total cpu time spent up to now is 237.4 secs Computing kpt #: 75 total cpu time spent up to now is 240.7 secs Computing kpt #: 76 total cpu time spent up to now is 244.2 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.8 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.1 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.7 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.3 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.9 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.4 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.0 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.5 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.6 secs Computing kpt #: 91 total cpu time spent up to now is 298.1 secs Computing kpt #: 92 total cpu time spent up to now is 301.5 secs Computing kpt #: 93 total cpu time spent up to now is 304.7 secs Computing kpt #: 94 total cpu time spent up to now is 307.9 secs Computing kpt #: 95 total cpu time spent up to now is 310.9 secs Computing kpt #: 96 total cpu time spent up to now is 313.8 secs Computing kpt #: 97 total cpu time spent up to now is 316.7 secs Computing kpt #: 98 total cpu time spent up to now is 319.5 secs Computing kpt #: 99 total cpu time spent up to now is 322.2 secs Computing kpt #: 100 total cpu time spent up to now is 324.8 secs Computing kpt #: 101 total cpu time spent up to now is 327.4 secs Computing kpt #: 102 total cpu time spent up to now is 330.1 secs Computing kpt #: 103 total cpu time spent up to now is 332.6 secs Computing kpt #: 104 total cpu time spent up to now is 335.1 secs Computing kpt #: 105 total cpu time spent up to now is 337.7 secs Computing kpt #: 106 total cpu time spent up to now is 340.4 secs Computing kpt #: 107 total cpu time spent up to now is 343.1 secs Computing kpt #: 108 total cpu time spent up to now is 345.8 secs Computing kpt #: 109 total cpu time spent up to now is 348.7 secs Computing kpt #: 110 total cpu time spent up to now is 351.6 secs Computing kpt #: 111 total cpu time spent up to now is 354.4 secs Computing kpt #: 112 total cpu time spent up to now is 357.1 secs Computing kpt #: 113 total cpu time spent up to now is 359.7 secs Computing kpt #: 114 total cpu time spent up to now is 362.2 secs Computing kpt #: 115 total cpu time spent up to now is 364.7 secs Computing kpt #: 116 total cpu time spent up to now is 367.1 secs Computing kpt #: 117 total cpu time spent up to now is 369.5 secs Computing kpt #: 118 total cpu time spent up to now is 371.9 secs Computing kpt #: 119 total cpu time spent up to now is 374.4 secs Computing kpt #: 120 total cpu time spent up to now is 376.9 secs Computing kpt #: 121 total cpu time spent up to now is 379.6 secs Computing kpt #: 122 total cpu time spent up to now is 382.6 secs Computing kpt #: 123 total cpu time spent up to now is 386.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.6 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.2 secs Computing kpt #: 126 total cpu time spent up to now is 396.5 secs Computing kpt #: 127 total cpu time spent up to now is 399.8 secs Computing kpt #: 128 total cpu time spent up to now is 402.4 secs Computing kpt #: 129 total cpu time spent up to now is 404.5 secs Computing kpt #: 130 total cpu time spent up to now is 406.5 secs Computing kpt #: 131 total cpu time spent up to now is 408.3 secs Computing kpt #: 132 total cpu time spent up to now is 410.2 secs Computing kpt #: 133 total cpu time spent up to now is 412.1 secs Computing kpt #: 134 total cpu time spent up to now is 413.9 secs Computing kpt #: 135 total cpu time spent up to now is 415.9 secs Computing kpt #: 136 total cpu time spent up to now is 417.9 secs Computing kpt #: 137 total cpu time spent up to now is 420.3 secs Computing kpt #: 138 total cpu time spent up to now is 422.7 secs Computing kpt #: 139 total cpu time spent up to now is 425.3 secs Computing kpt #: 140 total cpu time spent up to now is 428.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.2 secs Computing kpt #: 143 total cpu time spent up to now is 437.8 secs Computing kpt #: 144 total cpu time spent up to now is 440.4 secs Computing kpt #: 145 total cpu time spent up to now is 443.0 secs Computing kpt #: 146 total cpu time spent up to now is 445.7 secs Computing kpt #: 147 total cpu time spent up to now is 448.4 secs Computing kpt #: 148 total cpu time spent up to now is 451.2 secs Computing kpt #: 149 total cpu time spent up to now is 454.0 secs Computing kpt #: 150 total cpu time spent up to now is 456.7 secs Computing kpt #: 151 total cpu time spent up to now is 459.6 secs Computing kpt #: 152 total cpu time spent up to now is 462.5 secs Computing kpt #: 153 total cpu time spent up to now is 465.4 secs Computing kpt #: 154 total cpu time spent up to now is 468.3 secs Computing kpt #: 155 total cpu time spent up to now is 471.0 secs Computing kpt #: 156 total cpu time spent up to now is 473.7 secs Computing kpt #: 157 total cpu time spent up to now is 476.3 secs Computing kpt #: 158 total cpu time spent up to now is 478.9 secs Computing kpt #: 159 total cpu time spent up to now is 481.4 secs Computing kpt #: 160 total cpu time spent up to now is 483.8 secs Computing kpt #: 161 total cpu time spent up to now is 486.1 secs Computing kpt #: 162 total cpu time spent up to now is 488.4 secs Computing kpt #: 163 total cpu time spent up to now is 490.8 secs Computing kpt #: 164 total cpu time spent up to now is 492.9 secs Computing kpt #: 165 total cpu time spent up to now is 494.9 secs Computing kpt #: 166 total cpu time spent up to now is 497.2 secs Computing kpt #: 167 total cpu time spent up to now is 499.2 secs Computing kpt #: 168 total cpu time spent up to now is 501.1 secs Computing kpt #: 169 total cpu time spent up to now is 503.1 secs Computing kpt #: 170 total cpu time spent up to now is 505.0 secs Computing kpt #: 171 total cpu time spent up to now is 506.8 secs Computing kpt #: 172 total cpu time spent up to now is 508.6 secs Computing kpt #: 173 total cpu time spent up to now is 510.4 secs Computing kpt #: 174 total cpu time spent up to now is 512.2 secs Computing kpt #: 175 total cpu time spent up to now is 514.3 secs Computing kpt #: 176 total cpu time spent up to now is 516.3 secs Computing kpt #: 177 total cpu time spent up to now is 518.1 secs Computing kpt #: 178 total cpu time spent up to now is 520.0 secs Computing kpt #: 179 total cpu time spent up to now is 521.7 secs Computing kpt #: 180 total cpu time spent up to now is 523.5 secs Computing kpt #: 181 total cpu time spent up to now is 525.3 secs Computing kpt #: 182 total cpu time spent up to now is 527.1 secs Computing kpt #: 183 total cpu time spent up to now is 528.8 secs Computing kpt #: 184 total cpu time spent up to now is 530.5 secs Computing kpt #: 185 total cpu time spent up to now is 532.4 secs Computing kpt #: 186 total cpu time spent up to now is 534.1 secs Computing kpt #: 187 total cpu time spent up to now is 535.9 secs Computing kpt #: 188 total cpu time spent up to now is 537.7 secs Computing kpt #: 189 total cpu time spent up to now is 539.4 secs Computing kpt #: 190 total cpu time spent up to now is 541.1 secs Computing kpt #: 191 total cpu time spent up to now is 542.9 secs Computing kpt #: 192 total cpu time spent up to now is 544.7 secs Computing kpt #: 193 total cpu time spent up to now is 546.5 secs Computing kpt #: 194 total cpu time spent up to now is 548.3 secs Computing kpt #: 195 total cpu time spent up to now is 550.1 secs Computing kpt #: 196 total cpu time spent up to now is 551.9 secs Computing kpt #: 197 total cpu time spent up to now is 553.7 secs Computing kpt #: 198 total cpu time spent up to now is 555.5 secs Computing kpt #: 199 total cpu time spent up to now is 557.3 secs Computing kpt #: 200 total cpu time spent up to now is 559.3 secs Computing kpt #: 201 total cpu time spent up to now is 561.3 secs Computing kpt #: 202 total cpu time spent up to now is 563.6 secs Computing kpt #: 203 total cpu time spent up to now is 565.9 secs Computing kpt #: 204 total cpu time spent up to now is 568.1 secs Computing kpt #: 205 total cpu time spent up to now is 570.3 secs Computing kpt #: 206 total cpu time spent up to now is 572.3 secs Computing kpt #: 207 total cpu time spent up to now is 574.3 secs Computing kpt #: 208 total cpu time spent up to now is 576.2 secs Computing kpt #: 209 total cpu time spent up to now is 578.1 secs Computing kpt #: 210 total cpu time spent up to now is 580.0 secs Computing kpt #: 211 total cpu time spent up to now is 581.8 secs Computing kpt #: 212 total cpu time spent up to now is 583.7 secs Computing kpt #: 213 total cpu time spent up to now is 585.5 secs Computing kpt #: 214 total cpu time spent up to now is 587.3 secs Computing kpt #: 215 total cpu time spent up to now is 589.0 secs Computing kpt #: 216 total cpu time spent up to now is 590.7 secs Computing kpt #: 217 total cpu time spent up to now is 592.5 secs Computing kpt #: 218 total cpu time spent up to now is 594.3 secs Computing kpt #: 219 total cpu time spent up to now is 596.0 secs Computing kpt #: 220 total cpu time spent up to now is 597.8 secs Computing kpt #: 221 total cpu time spent up to now is 599.7 secs Computing kpt #: 222 total cpu time spent up to now is 601.5 secs Computing kpt #: 223 total cpu time spent up to now is 603.3 secs Computing kpt #: 224 total cpu time spent up to now is 605.2 secs Computing kpt #: 225 total cpu time spent up to now is 607.0 secs Computing kpt #: 226 total cpu time spent up to now is 608.8 secs Computing kpt #: 227 total cpu time spent up to now is 610.7 secs Computing kpt #: 228 total cpu time spent up to now is 612.5 secs Computing kpt #: 229 total cpu time spent up to now is 614.4 secs Computing kpt #: 230 total cpu time spent up to now is 616.4 secs Computing kpt #: 231 total cpu time spent up to now is 618.4 secs Computing kpt #: 232 total cpu time spent up to now is 620.3 secs Computing kpt #: 233 total cpu time spent up to now is 622.4 secs Computing kpt #: 234 total cpu time spent up to now is 624.6 secs Computing kpt #: 235 total cpu time spent up to now is 626.8 secs Computing kpt #: 236 total cpu time spent up to now is 629.1 secs Computing kpt #: 237 total cpu time spent up to now is 631.4 secs Computing kpt #: 238 total cpu time spent up to now is 633.6 secs Computing kpt #: 239 total cpu time spent up to now is 635.8 secs Computing kpt #: 240 total cpu time spent up to now is 637.9 secs Computing kpt #: 241 total cpu time spent up to now is 640.0 secs Computing kpt #: 242 total cpu time spent up to now is 642.1 secs Computing kpt #: 243 total cpu time spent up to now is 644.2 secs Computing kpt #: 244 total cpu time spent up to now is 646.3 secs Computing kpt #: 245 total cpu time spent up to now is 648.4 secs Computing kpt #: 246 total cpu time spent up to now is 650.4 secs Computing kpt #: 247 total cpu time spent up to now is 652.5 secs Computing kpt #: 248 total cpu time spent up to now is 654.5 secs Computing kpt #: 249 total cpu time spent up to now is 656.5 secs Computing kpt #: 250 total cpu time spent up to now is 658.5 secs Computing kpt #: 251 total cpu time spent up to now is 660.6 secs Computing kpt #: 252 total cpu time spent up to now is 662.7 secs Computing kpt #: 253 total cpu time spent up to now is 665.1 secs Computing kpt #: 254 total cpu time spent up to now is 667.2 secs Computing kpt #: 255 total cpu time spent up to now is 669.5 secs Computing kpt #: 256 total cpu time spent up to now is 671.8 secs Computing kpt #: 257 total cpu time spent up to now is 674.1 secs Computing kpt #: 258 total cpu time spent up to now is 676.6 secs Computing kpt #: 259 total cpu time spent up to now is 679.1 secs Computing kpt #: 260 total cpu time spent up to now is 681.7 secs Computing kpt #: 261 total cpu time spent up to now is 684.3 secs Computing kpt #: 262 total cpu time spent up to now is 687.7 secs Computing kpt #: 263 total cpu time spent up to now is 690.8 secs Computing kpt #: 264 total cpu time spent up to now is 693.7 secs Computing kpt #: 265 total cpu time spent up to now is 696.5 secs Computing kpt #: 266 total cpu time spent up to now is 699.3 secs Computing kpt #: 267 total cpu time spent up to now is 702.0 secs Computing kpt #: 268 total cpu time spent up to now is 704.6 secs Computing kpt #: 269 total cpu time spent up to now is 707.2 secs Computing kpt #: 270 total cpu time spent up to now is 708.9 secs Computing kpt #: 271 total cpu time spent up to now is 710.6 secs Computing kpt #: 272 total cpu time spent up to now is 712.4 secs Computing kpt #: 273 total cpu time spent up to now is 714.1 secs Computing kpt #: 274 total cpu time spent up to now is 715.9 secs Computing kpt #: 275 total cpu time spent up to now is 717.7 secs Computing kpt #: 276 total cpu time spent up to now is 719.8 secs Computing kpt #: 277 total cpu time spent up to now is 721.6 secs Computing kpt #: 278 total cpu time spent up to now is 723.6 secs Computing kpt #: 279 total cpu time spent up to now is 725.5 secs Computing kpt #: 280 total cpu time spent up to now is 727.4 secs Computing kpt #: 281 total cpu time spent up to now is 729.3 secs Computing kpt #: 282 total cpu time spent up to now is 731.3 secs Computing kpt #: 283 total cpu time spent up to now is 733.2 secs Computing kpt #: 284 total cpu time spent up to now is 735.1 secs Computing kpt #: 285 total cpu time spent up to now is 737.0 secs Computing kpt #: 286 total cpu time spent up to now is 739.0 secs Computing kpt #: 287 total cpu time spent up to now is 742.4 secs Computing kpt #: 288 total cpu time spent up to now is 745.5 secs Computing kpt #: 289 total cpu time spent up to now is 748.5 secs Computing kpt #: 290 total cpu time spent up to now is 751.2 secs Computing kpt #: 291 total cpu time spent up to now is 753.9 secs Computing kpt #: 292 total cpu time spent up to now is 756.6 secs Computing kpt #: 293 total cpu time spent up to now is 759.3 secs Computing kpt #: 294 total cpu time spent up to now is 761.8 secs Computing kpt #: 295 total cpu time spent up to now is 764.1 secs Computing kpt #: 296 total cpu time spent up to now is 766.4 secs Computing kpt #: 297 total cpu time spent up to now is 768.5 secs Computing kpt #: 298 total cpu time spent up to now is 770.3 secs Computing kpt #: 299 total cpu time spent up to now is 772.1 secs Computing kpt #: 300 total cpu time spent up to now is 773.8 secs Computing kpt #: 301 total cpu time spent up to now is 775.5 secs Computing kpt #: 302 total cpu time spent up to now is 777.3 secs Computing kpt #: 303 total cpu time spent up to now is 779.1 secs ethr = 2.78E-11, avg # of iterations = 62.2 total cpu time spent up to now is 779.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5147 PWs) bands (ev): -34.3602 -34.3602 -34.3600 -34.3600 -15.6324 -15.6324 -15.6272 -15.6272 -15.2775 -15.2775 -15.2706 -15.2706 -15.2148 -15.2148 -15.2144 -15.2144 -4.5259 -4.5259 -4.2206 -4.2206 0.6194 0.6194 2.1154 2.1154 4.8342 4.8342 5.9973 5.9973 6.1473 6.1473 6.4063 6.4063 6.5887 6.5887 7.2528 7.2528 7.7103 7.7103 8.2873 8.2873 8.3547 8.3547 8.6447 8.6447 k = 0.0111 0.0064-0.0000 ( 5121 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6324 -15.6323 -15.6272 -15.6271 -15.2775 -15.2774 -15.2707 -15.2705 -15.2148 -15.2148 -15.2144 -15.2144 -4.5245 -4.5245 -4.2193 -4.2193 0.6204 0.6204 2.1142 2.1143 4.8344 4.8366 5.9869 5.9919 6.1387 6.1389 6.3825 6.3832 6.5638 6.5639 7.2937 7.2949 7.7223 7.7230 8.2722 8.2765 8.3442 8.3448 8.6571 8.6599 k = 0.0222 0.0128-0.0000 ( 5113 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6326 -15.6323 -15.6274 -15.6271 -15.2777 -15.2773 -15.2708 -15.2705 -15.2150 -15.2150 -15.2146 -15.2146 -4.5204 -4.5204 -4.2157 -4.2156 0.6232 0.6232 2.1105 2.1108 4.8370 4.8415 5.9589 5.9694 6.1159 6.1170 6.3040 6.3052 6.5186 6.5190 7.3955 7.3979 7.7574 7.7587 8.2222 8.2299 8.3366 8.3379 8.6781 8.6842 k = 0.0333 0.0192-0.0000 ( 5129 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6328 -15.6323 -15.6276 -15.6273 -15.2779 -15.2773 -15.2710 -15.2706 -15.2153 -15.2153 -15.2150 -15.2150 -4.5134 -4.5134 -4.2095 -4.2094 0.6279 0.6280 2.1043 2.1048 4.8420 4.8491 5.9101 5.9264 6.0860 6.0883 6.1768 6.1784 6.4799 6.4803 7.5246 7.5287 7.8112 7.8123 8.1488 8.1588 8.3418 8.3427 8.6908 8.6981 k = 0.0444 0.0257-0.0000 ( 5125 PWs) bands (ev): -34.3600 -34.3600 -34.3599 -34.3599 -15.6330 -15.6324 -15.6278 -15.6274 -15.2781 -15.2774 -15.2712 -15.2707 -15.2158 -15.2158 -15.2155 -15.2155 -4.5037 -4.5037 -4.2009 -4.2007 0.6344 0.6345 2.0956 2.0962 4.8492 4.8591 5.8407 5.8621 6.0208 6.0210 6.0575 6.0625 6.4437 6.4441 7.6593 7.6660 7.8734 7.8751 8.0709 8.0864 8.3536 8.3541 8.6968 8.7042 k = 0.0556 0.0321-0.0000 ( 5129 PWs) bands (ev): -34.3600 -34.3600 -34.3598 -34.3598 -15.6333 -15.6325 -15.6282 -15.6276 -15.2783 -15.2774 -15.2714 -15.2708 -15.2164 -15.2164 -15.2161 -15.2161 -4.4912 -4.4912 -4.1898 -4.1896 0.6427 0.6428 2.0842 2.0849 4.8584 4.8715 5.7548 5.7804 5.8561 5.8564 6.0262 6.0306 6.4051 6.4054 7.7848 7.7920 7.8999 7.9165 8.0293 8.0601 8.3699 8.3701 8.6997 8.7071 k = 0.0667 0.0385-0.0000 ( 5121 PWs) bands (ev): -34.3599 -34.3599 -34.3598 -34.3597 -15.6336 -15.6326 -15.6285 -15.6278 -15.2786 -15.2775 -15.2717 -15.2710 -15.2171 -15.2171 -15.2168 -15.2168 -4.4760 -4.4760 -4.1762 -4.1760 0.6526 0.6527 2.0698 2.0707 4.8690 4.8861 5.6569 5.6762 5.6852 5.6957 5.9949 5.9991 6.3625 6.3628 7.8243 7.8322 7.9030 7.9413 8.0904 8.1283 8.3898 8.3900 8.7015 8.7088 k = 0.0778 0.0449-0.0000 ( 5127 PWs) bands (ev): -34.3598 -34.3598 -34.3597 -34.3597 -15.6340 -15.6329 -15.6289 -15.6281 -15.2789 -15.2776 -15.2720 -15.2712 -15.2180 -15.2179 -15.2177 -15.2177 -4.4580 -4.4580 -4.1602 -4.1599 0.6640 0.6642 2.0524 2.0533 4.8804 4.9025 5.5065 5.5077 5.5562 5.5924 5.9618 5.9656 6.3159 6.3161 7.7453 7.7491 7.9853 8.0238 8.1885 8.2318 8.4128 8.4135 8.7038 8.7109 k = 0.0889 0.0513-0.0000 ( 5129 PWs) bands (ev): -34.3597 -34.3597 -34.3595 -34.3595 -15.6344 -15.6331 -15.6294 -15.6285 -15.2793 -15.2778 -15.2724 -15.2714 -15.2189 -15.2189 -15.2187 -15.2186 -4.4373 -4.4373 -4.1418 -4.1414 0.6768 0.6770 2.0315 2.0325 4.8912 4.9201 5.3311 5.3324 5.4499 5.4930 5.9263 5.9298 6.2657 6.2659 7.6527 7.6559 8.0498 8.0899 8.2905 8.3384 8.4388 8.4403 8.7088 8.7154 k = 0.1000 0.0577-0.0000 ( 5125 PWs) bands (ev): -34.3595 -34.3595 -34.3594 -34.3594 -15.6349 -15.6334 -15.6298 -15.6289 -15.2796 -15.2780 -15.2728 -15.2717 -15.2200 -15.2200 -15.2197 -15.2197 -4.4138 -4.4138 -4.1209 -4.1205 0.6908 0.6910 2.0069 2.0080 4.8991 4.9373 5.1560 5.1574 5.3452 5.3977 5.8884 5.8917 6.2124 6.2126 7.5573 7.5604 8.0951 8.1352 8.3816 8.4305 8.4677 8.4722 8.7201 8.7263 k = 0.1111 0.0642-0.0000 ( 5131 PWs) bands (ev): -34.3594 -34.3594 -34.3593 -34.3593 -15.6354 -15.6338 -15.6304 -15.6293 -15.2801 -15.2782 -15.2732 -15.2720 -15.2212 -15.2211 -15.2209 -15.2209 -4.3876 -4.3876 -4.0975 -4.0971 0.7057 0.7060 1.9784 1.9795 4.8985 4.9458 4.9837 4.9888 5.2469 5.3122 5.8482 5.8513 6.1569 6.1570 7.4613 7.4642 8.1219 8.1605 8.4496 8.4876 8.5004 8.5166 8.7431 8.7508 k = 0.1222 0.0706-0.0000 ( 5127 PWs) bands (ev): -34.3593 -34.3593 -34.3591 -34.3591 -15.6359 -15.6341 -15.6310 -15.6299 -15.2805 -15.2785 -15.2737 -15.2724 -15.2225 -15.2224 -15.2222 -15.2221 -4.3588 -4.3587 -4.0718 -4.0713 0.7213 0.7216 1.9455 1.9467 4.8063 4.8083 4.8912 4.9549 5.1665 5.2450 5.8059 5.8089 6.0996 6.0997 7.3653 7.3682 8.1318 8.1675 8.4885 8.5222 8.5356 8.5522 8.7824 8.7945 k = 0.1333 0.0770-0.0000 ( 5133 PWs) bands (ev): -34.3591 -34.3591 -34.3590 -34.3590 -15.6364 -15.6346 -15.6316 -15.6304 -15.2810 -15.2788 -15.2743 -15.2728 -15.2238 -15.2237 -15.2236 -15.2235 -4.3272 -4.3272 -4.0436 -4.0431 0.7372 0.7375 1.9079 1.9091 4.6386 4.6399 4.8556 4.9210 5.1252 5.2044 5.7618 5.7647 6.0411 6.0413 7.2699 7.2726 8.1265 8.1586 8.5038 8.5456 8.5694 8.5721 8.8346 8.8508 k = 0.1444 0.0834-0.0000 ( 5126 PWs) bands (ev): -34.3589 -34.3589 -34.3588 -34.3588 -15.6370 -15.6351 -15.6323 -15.6310 -15.2815 -15.2791 -15.2748 -15.2733 -15.2253 -15.2250 -15.2250 -15.2248 -4.2930 -4.2930 -4.0131 -4.0125 0.7531 0.7535 1.8654 1.8666 4.4732 4.4743 4.8000 4.8523 5.1256 5.1914 5.7162 5.7192 5.9819 5.9822 7.1753 7.1779 8.1083 8.1363 8.5013 8.5428 8.6017 8.6034 8.8906 8.9081 k = 0.1556 0.0898-0.0000 ( 5132 PWs) bands (ev): -34.3587 -34.3587 -34.3586 -34.3586 -15.6377 -15.6356 -15.6331 -15.6317 -15.2820 -15.2795 -15.2755 -15.2738 -15.2267 -15.2265 -15.2265 -15.2263 -4.2561 -4.2561 -3.9802 -3.9796 0.7685 0.7689 1.8176 1.8187 4.3116 4.3127 4.7315 4.7702 5.1463 5.1986 5.6695 5.6725 5.9226 5.9230 7.0817 7.0843 8.0793 8.1034 8.4857 8.5240 8.6367 8.6387 8.9426 8.9584 k = 0.1667 0.0962-0.0000 ( 5130 PWs) bands (ev): -34.3586 -34.3586 -34.3584 -34.3584 -15.6383 -15.6361 -15.6338 -15.6324 -15.2826 -15.2799 -15.2761 -15.2744 -15.2283 -15.2280 -15.2280 -15.2278 -4.2166 -4.2166 -3.9449 -3.9442 0.7828 0.7833 1.7643 1.7654 4.1548 4.1559 4.6582 4.6870 5.1755 5.2179 5.6218 5.6250 5.8635 5.8640 6.9893 6.9918 8.0416 8.0619 8.4607 8.4959 8.6732 8.6750 8.9850 8.9970 k = 0.1778 0.1026-0.0000 ( 5128 PWs) bands (ev): -34.3583 -34.3583 -34.3582 -34.3582 -15.6390 -15.6367 -15.6346 -15.6332 -15.2832 -15.2803 -15.2768 -15.2750 -15.2298 -15.2295 -15.2295 -15.2293 -4.1745 -4.1745 -3.9072 -3.9066 0.7954 0.7960 1.7053 1.7063 4.0036 4.0047 4.5853 4.6072 5.2088 5.2444 5.5737 5.5772 5.8050 5.8056 6.8983 6.9007 7.9968 8.0137 8.4281 8.4606 8.7104 8.7119 9.0136 9.0204 k = 0.1889 0.1091-0.0000 ( 5134 PWs) bands (ev): -34.3581 -34.3581 -34.3580 -34.3580 -15.6398 -15.6374 -15.6354 -15.6340 -15.2838 -15.2808 -15.2776 -15.2756 -15.2314 -15.2311 -15.2310 -15.2308 -4.1299 -4.1299 -3.8673 -3.8666 0.8056 0.8062 1.6405 1.6415 3.8588 3.8601 4.5157 4.5326 5.2440 5.2750 5.5256 5.5297 5.7473 5.7481 6.8086 6.8110 7.9462 7.9601 8.3894 8.4193 8.7476 8.7489 9.0252 9.0262 k = 0.2000 0.1155-0.0000 ( 5126 PWs) bands (ev): -34.3579 -34.3579 -34.3578 -34.3578 -15.6405 -15.6381 -15.6363 -15.6348 -15.2845 -15.2814 -15.2783 -15.2763 -15.2330 -15.2327 -15.2325 -15.2323 -4.0827 -4.0827 -3.8251 -3.8243 0.8126 0.8132 1.5700 1.5709 3.7215 3.7228 4.4509 4.4642 5.2793 5.3074 5.4784 5.4836 5.6908 5.6919 6.7206 6.7229 7.8911 7.9023 8.3455 8.3729 8.7845 8.7858 9.0146 9.0184 k = 0.2111 0.1219-0.0000 ( 5130 PWs) bands (ev): -34.3577 -34.3577 -34.3576 -34.3576 -15.6413 -15.6388 -15.6372 -15.6356 -15.2852 -15.2819 -15.2791 -15.2771 -15.2346 -15.2342 -15.2341 -15.2338 -4.0331 -4.0330 -3.7806 -3.7798 0.8153 0.8160 1.4940 1.4948 3.5926 3.5940 4.3917 4.4022 5.3109 5.3372 5.4356 5.4422 5.6356 5.6372 6.6341 6.6365 7.8325 7.8414 8.2975 8.3225 8.8206 8.8219 8.9886 8.9953 k = 0.2222 0.1283-0.0000 ( 5122 PWs) bands (ev): -34.3575 -34.3575 -34.3574 -34.3574 -15.6420 -15.6395 -15.6381 -15.6365 -15.2859 -15.2825 -15.2800 -15.2779 -15.2362 -15.2358 -15.2356 -15.2353 -3.9810 -3.9809 -3.7339 -3.7331 0.8127 0.8134 1.4125 1.4133 3.4733 3.4747 4.3386 4.3469 5.3253 5.3452 5.4152 5.4185 5.5822 5.5845 6.5494 6.5518 7.7713 7.7782 8.2462 8.2689 8.8554 8.8570 8.9528 8.9603 k = 0.2333 0.1347-0.0000 ( 5118 PWs) bands (ev): -34.3573 -34.3573 -34.3572 -34.3572 -15.6428 -15.6403 -15.6390 -15.6374 -15.2866 -15.2832 -15.2809 -15.2787 -15.2377 -15.2373 -15.2370 -15.2368 -3.9265 -3.9264 -3.6850 -3.6842 0.8037 0.8046 1.3260 1.3267 3.3646 3.3662 4.2916 4.2981 5.3042 5.3132 5.4299 5.4335 5.5311 5.5356 6.4665 6.4689 7.7084 7.7137 8.1926 8.2131 8.8860 8.8906 8.9135 8.9180 k = 0.2444 0.1411-0.0000 ( 5110 PWs) bands (ev): -34.3570 -34.3570 -34.3569 -34.3569 -15.6436 -15.6410 -15.6399 -15.6384 -15.2874 -15.2838 -15.2818 -15.2796 -15.2392 -15.2387 -15.2385 -15.2382 -3.8697 -3.8696 -3.6340 -3.6332 0.7873 0.7883 1.2349 1.2355 3.2679 3.2695 4.2506 4.2556 5.2648 5.2694 5.4497 5.4520 5.4891 5.5024 6.3856 6.3880 7.6447 7.6486 8.1375 8.1560 8.8623 8.8716 8.9224 8.9231 k = 0.2556 0.1475-0.0000 ( 5108 PWs) bands (ev): -34.3568 -34.3568 -34.3567 -34.3567 -15.6445 -15.6418 -15.6409 -15.6393 -15.2882 -15.2845 -15.2828 -15.2806 -15.2407 -15.2401 -15.2399 -15.2396 -3.8106 -3.8104 -3.5810 -3.5801 0.7626 0.7635 1.1396 1.1401 3.1839 3.1856 4.2153 4.2192 5.2212 5.2240 5.4211 5.4244 5.5022 5.5171 6.3067 6.3091 7.5812 7.5839 8.0819 8.0984 8.8160 8.8234 8.9514 8.9516 k = 0.2667 0.1540-0.0000 ( 5104 PWs) bands (ev): -34.3566 -34.3566 -34.3565 -34.3565 -15.6453 -15.6427 -15.6418 -15.6403 -15.2890 -15.2853 -15.2837 -15.2816 -15.2421 -15.2414 -15.2413 -15.2409 -3.7493 -3.7491 -3.5259 -3.5250 0.7286 0.7296 1.0407 1.0411 3.1136 3.1154 4.1855 4.1883 5.1770 5.1787 5.3778 5.3795 5.5339 5.5469 6.2300 6.2323 7.5189 7.5207 8.0262 8.0410 8.7685 8.7747 8.9774 8.9781 k = 0.2778 0.1604-0.0000 ( 5098 PWs) bands (ev): -34.3564 -34.3564 -34.3563 -34.3563 -15.6461 -15.6435 -15.6428 -15.6413 -15.2898 -15.2861 -15.2848 -15.2826 -15.2435 -15.2427 -15.2426 -15.2422 -3.6858 -3.6856 -3.4689 -3.4680 0.6849 0.6859 0.9387 0.9391 3.0575 3.0594 4.1606 4.1625 5.1332 5.1343 5.3341 5.3349 5.5646 5.5762 6.1556 6.1578 7.4589 7.4599 7.9713 7.9845 8.7210 8.7261 9.0002 9.0014 k = 0.2889 0.1668-0.0000 ( 5106 PWs) bands (ev): -34.3561 -34.3561 -34.3561 -34.3560 -15.6470 -15.6444 -15.6438 -15.6423 -15.2907 -15.2869 -15.2858 -15.2838 -15.2447 -15.2439 -15.2439 -15.2434 -3.6203 -3.6201 -3.4101 -3.4091 0.6315 0.6325 0.8343 0.8346 3.0156 3.0175 4.1402 4.1413 5.0905 5.0912 5.2917 5.2920 5.5915 5.6020 6.0839 6.0858 7.4024 7.4029 7.9177 7.9294 8.6741 8.6783 9.0193 9.0213 k = 0.3000 0.1732-0.0000 ( 5114 PWs) bands (ev): -34.3559 -34.3559 -34.3558 -34.3558 -15.6478 -15.6452 -15.6447 -15.6433 -15.2916 -15.2878 -15.2869 -15.2849 -15.2460 -15.2451 -15.2451 -15.2446 -3.5529 -3.5527 -3.3495 -3.3485 0.5687 0.5696 0.7279 0.7283 2.9876 2.9897 4.1237 4.1242 5.0491 5.0494 5.2508 5.2509 5.6133 5.6224 6.0152 6.0167 7.3506 7.3508 7.8656 7.8761 8.6281 8.6314 9.0341 9.0376 k = 0.3111 0.1796-0.0000 ( 5122 PWs) bands (ev): -34.3557 -34.3557 -34.3556 -34.3556 -15.6487 -15.6461 -15.6457 -15.6443 -15.2925 -15.2887 -15.2879 -15.2860 -15.2471 -15.2462 -15.2462 -15.2456 -3.4837 -3.4834 -3.2874 -3.2863 0.4970 0.4978 0.6203 0.6207 2.9730 2.9751 4.1105 4.1106 5.0092 5.0092 5.2117 5.2121 5.6283 5.6357 5.9502 5.9508 7.3048 7.3049 7.8155 7.8248 8.5832 8.5857 9.0420 9.0502 k = 0.3222 0.1860-0.0000 ( 5126 PWs) bands (ev): -34.3555 -34.3555 -34.3554 -34.3554 -15.6495 -15.6470 -15.6466 -15.6453 -15.2933 -15.2896 -15.2890 -15.2871 -15.2482 -15.2473 -15.2472 -15.2466 -3.4128 -3.4125 -3.2238 -3.2227 0.4175 0.4180 0.5121 0.5126 2.9707 2.9728 4.0996 4.1003 4.9708 4.9711 5.1745 5.1752 5.6349 5.6400 5.8890 5.8899 7.2660 7.2663 7.7676 7.7759 8.5396 8.5414 9.0336 9.0440 k = 0.3333 0.1925-0.0000 ( 5130 PWs) bands (ev): -34.3553 -34.3553 -34.3552 -34.3552 -15.6502 -15.6478 -15.6475 -15.6463 -15.2942 -15.2905 -15.2900 -15.2883 -15.2491 -15.2482 -15.2481 -15.2476 -3.3404 -3.3401 -3.1589 -3.1578 0.3311 0.3314 0.4039 0.4046 2.9796 2.9818 4.0911 4.0922 4.9342 4.9347 5.1393 5.1404 5.6315 5.6335 5.8322 5.8354 7.2354 7.2357 7.7222 7.7295 8.4974 8.4987 9.0111 9.0171 k = 0.3444 0.1989-0.0000 ( 5138 PWs) bands (ev): -34.3551 -34.3551 -34.3551 -34.3551 -15.6510 -15.6486 -15.6484 -15.6473 -15.2950 -15.2915 -15.2911 -15.2894 -15.2501 -15.2492 -15.2489 -15.2485 -3.2668 -3.2664 -3.0930 -3.0919 0.2391 0.2392 0.2963 0.2974 2.9984 3.0006 4.0841 4.0857 4.8995 4.9003 5.1063 5.1076 5.6148 5.6168 5.7816 5.7880 7.2135 7.2138 7.6793 7.6858 8.4568 8.4575 8.9859 8.9905 k = 0.3556 0.2053-0.0000 ( 5138 PWs) bands (ev): -34.3549 -34.3549 -34.3549 -34.3549 -15.6517 -15.6494 -15.6492 -15.6482 -15.2958 -15.2924 -15.2920 -15.2906 -15.2509 -15.2500 -15.2497 -15.2492 -3.1922 -3.1917 -3.0263 -3.0251 0.1425 0.1431 0.1901 0.1915 3.0260 3.0282 4.0782 4.0802 4.8669 4.8680 5.0753 5.0770 5.5846 5.5905 5.7376 5.7473 7.2004 7.2006 7.6392 7.6448 8.4179 8.4181 8.9609 8.9649 k = 0.3667 0.2117-0.0000 ( 5134 PWs) bands (ev): -34.3548 -34.3548 -34.3547 -34.3547 -15.6524 -15.6502 -15.6500 -15.6491 -15.2965 -15.2932 -15.2930 -15.2916 -15.2516 -15.2508 -15.2504 -15.2500 -3.1168 -3.1163 -2.9592 -2.9579 0.0433 0.0443 0.0854 0.0873 3.0610 3.0633 4.0725 4.0749 4.8364 4.8378 5.0464 5.0484 5.5460 5.5551 5.6986 5.7106 7.1957 7.1959 7.6019 7.6067 8.3805 8.3807 8.9367 8.9403 k = 0.3778 0.2181-0.0000 ( 5134 PWs) bands (ev): -34.3546 -34.3546 -34.3545 -34.3545 -15.6530 -15.6509 -15.6507 -15.6499 -15.2972 -15.2941 -15.2939 -15.2927 -15.2522 -15.2514 -15.2510 -15.2506 -3.0411 -3.0405 -2.8920 -2.8907 -0.0569 -0.0554 -0.0173 -0.0151 3.1024 3.1048 4.0663 4.0691 4.8081 4.8097 5.0197 5.0220 5.5033 5.5145 5.6618 5.6752 7.1987 7.1988 7.5675 7.5716 8.3449 8.3454 8.9137 8.9169 k = 0.3889 0.2245-0.0000 ( 5134 PWs) bands (ev): -34.3545 -34.3545 -34.3544 -34.3544 -15.6536 -15.6516 -15.6514 -15.6507 -15.2978 -15.2949 -15.2947 -15.2937 -15.2528 -15.2521 -15.2516 -15.2512 -2.9655 -2.9648 -2.8253 -2.8239 -0.1563 -0.1545 -0.1178 -0.1154 3.1491 3.1515 4.0589 4.0621 4.7821 4.7839 4.9952 4.9978 5.4597 5.4724 5.6250 5.6391 7.2082 7.2082 7.5361 7.5395 8.3112 8.3120 8.8920 8.8949 k = 0.4000 0.2309-0.0000 ( 5134 PWs) bands (ev): -34.3543 -34.3543 -34.3543 -34.3543 -15.6541 -15.6523 -15.6521 -15.6514 -15.2984 -15.2957 -15.2955 -15.2946 -15.2533 -15.2526 -15.2520 -15.2517 -2.8907 -2.8898 -2.7597 -2.7582 -0.2535 -0.2515 -0.2155 -0.2130 3.2001 3.2025 4.0496 4.0530 4.7584 4.7604 4.9729 4.9758 5.4176 5.4312 5.5877 5.6021 7.2228 7.2229 7.5077 7.5104 8.2798 8.2808 8.8717 8.8743 k = 0.4111 0.2374-0.0000 ( 5134 PWs) bands (ev): -34.3542 -34.3542 -34.3541 -34.3541 -15.6546 -15.6529 -15.6527 -15.6521 -15.2990 -15.2964 -15.2962 -15.2955 -15.2537 -15.2531 -15.2524 -15.2522 -2.8172 -2.8163 -2.6959 -2.6944 -0.3470 -0.3448 -0.3096 -0.3070 3.2543 3.2568 4.0376 4.0413 4.7371 4.7392 4.9529 4.9560 5.3783 5.3927 5.5499 5.5644 7.2410 7.2412 7.4825 7.4845 8.2506 8.2518 8.8531 8.8554 k = 0.4222 0.2438-0.0000 ( 5142 PWs) bands (ev): -34.3541 -34.3541 -34.3540 -34.3540 -15.6550 -15.6535 -15.6532 -15.6527 -15.2995 -15.2972 -15.2969 -15.2963 -15.2541 -15.2536 -15.2528 -15.2526 -2.7460 -2.7450 -2.6349 -2.6333 -0.4355 -0.4332 -0.3990 -0.3963 3.3109 3.3134 4.0222 4.0261 4.7183 4.7204 4.9352 4.9384 5.3432 5.3579 5.5126 5.5269 7.2612 7.2616 7.4606 7.4618 8.2239 8.2252 8.8362 8.8382 k = 0.4333 0.2502-0.0000 ( 5136 PWs) bands (ev): -34.3540 -34.3540 -34.3539 -34.3539 -15.6553 -15.6540 -15.6536 -15.6533 -15.2998 -15.2978 -15.2974 -15.2969 -15.2544 -15.2539 -15.2531 -15.2529 -2.6782 -2.6771 -2.5779 -2.5763 -0.5176 -0.5151 -0.4823 -0.4796 3.3688 3.3714 4.0031 4.0071 4.7019 4.7041 4.9198 4.9230 5.3129 5.3277 5.4766 5.4907 7.2819 7.2826 7.4421 7.4425 8.1999 8.2012 8.8212 8.8229 k = 0.4444 0.2566-0.0000 ( 5144 PWs) bands (ev): -34.3539 -34.3539 -34.3538 -34.3538 -15.6556 -15.6545 -15.6541 -15.6537 -15.3001 -15.2984 -15.2980 -15.2975 -15.2546 -15.2542 -15.2534 -15.2533 -2.6151 -2.6139 -2.5263 -2.5246 -0.5916 -0.5890 -0.5580 -0.5553 3.4269 3.4296 3.9799 3.9839 4.6880 4.6901 4.9068 4.9099 5.2881 5.3025 5.4432 5.4566 7.3014 7.3024 7.4269 7.4273 8.1788 8.1800 8.8082 8.8096 k = 0.4556 0.2630-0.0000 ( 5142 PWs) bands (ev): -34.3538 -34.3538 -34.3538 -34.3538 -15.6558 -15.6550 -15.6544 -15.6541 -15.3004 -15.2990 -15.2983 -15.2980 -15.2548 -15.2545 -15.2536 -15.2535 -2.5584 -2.5571 -2.4816 -2.4799 -0.6556 -0.6531 -0.6243 -0.6216 3.4839 3.4866 3.9529 3.9568 4.6768 4.6786 4.8962 4.8990 5.2691 5.2825 5.4134 5.4258 7.3181 7.3196 7.4153 7.4164 8.1609 8.1620 8.7973 8.7985 k = 0.4667 0.2694-0.0000 ( 5142 PWs) bands (ev): -34.3538 -34.3538 -34.3537 -34.3537 -15.6560 -15.6553 -15.6546 -15.6544 -15.3005 -15.2995 -15.2986 -15.2984 -15.2549 -15.2547 -15.2538 -15.2537 -2.5100 -2.5088 -2.4455 -2.4439 -0.7078 -0.7055 -0.6791 -0.6767 3.5380 3.5406 3.9232 3.9268 4.6681 4.6695 4.8881 4.8904 5.2559 5.2675 5.3886 5.3993 7.3308 7.3326 7.4080 7.4096 8.1466 8.1475 8.7888 8.7896 k = 0.4778 0.2758-0.0000 ( 5138 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6556 -15.6548 -15.6546 -15.3005 -15.2998 -15.2988 -15.2987 -15.2550 -15.2549 -15.2539 -15.2538 -2.4722 -2.4711 -2.4193 -2.4179 -0.7464 -0.7445 -0.7204 -0.7184 3.5859 3.5882 3.8934 3.8964 4.6619 4.6630 4.8825 4.8841 5.2481 5.2569 5.3702 5.3783 7.3389 7.3405 7.4050 7.4065 8.1361 8.1367 8.7826 8.7832 k = 0.4889 0.2823-0.0000 ( 5146 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6561 -15.6558 -15.6549 -15.6548 -15.3005 -15.3002 -15.2989 -15.2989 -15.2551 -15.2550 -15.2540 -15.2539 -2.4475 -2.4468 -2.4037 -2.4028 -0.7698 -0.7687 -0.7459 -0.7448 3.6220 3.6235 3.8691 3.8709 4.6584 4.6589 4.8793 4.8802 5.2451 5.2499 5.3595 5.3639 7.3430 7.3440 7.4048 7.4057 8.1297 8.1301 8.7790 8.7792 k = 0.5000 0.2887-0.0000 ( 5142 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6560 -15.6548 -15.6548 -15.3004 -15.3004 -15.2989 -15.2989 -15.2551 -15.2551 -15.2539 -15.2539 -2.4385 -2.4385 -2.3983 -2.3983 -0.7773 -0.7773 -0.7542 -0.7542 3.6367 3.6367 3.8597 3.8597 4.6574 4.6574 4.8786 4.8786 5.2459 5.2459 5.3574 5.3574 7.3446 7.3446 7.4053 7.4053 8.1277 8.1277 8.7778 8.7778 k = 0.5000 0.2887-0.0000 ( 5142 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6560 -15.6548 -15.6548 -15.3004 -15.3004 -15.2989 -15.2989 -15.2551 -15.2551 -15.2539 -15.2539 -2.4385 -2.4385 -2.3983 -2.3983 -0.7773 -0.7773 -0.7542 -0.7542 3.6367 3.6367 3.8597 3.8597 4.6574 4.6574 4.8786 4.8786 5.2459 5.2459 5.3574 5.3574 7.3446 7.3446 7.4053 7.4053 8.1277 8.1277 8.7778 8.7778 k = 0.4936 0.2998-0.0000 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6559 -15.6549 -15.6548 -15.3004 -15.3004 -15.2989 -15.2989 -15.2552 -15.2551 -15.2540 -15.2540 -2.4371 -2.4370 -2.3970 -2.3969 -0.7778 -0.7778 -0.7548 -0.7546 3.6350 3.6365 3.8587 3.8602 4.6464 4.6531 4.8611 4.8728 5.2419 5.2515 5.3546 5.3609 7.3578 7.3606 7.4143 7.4161 8.1274 8.1309 8.7786 8.7799 k = 0.4872 0.3109-0.0000 ( 5148 PWs) bands (ev): -34.3537 -34.3537 -34.3536 -34.3536 -15.6561 -15.6559 -15.6550 -15.6548 -15.3003 -15.3003 -15.2988 -15.2988 -15.2554 -15.2552 -15.2543 -15.2542 -2.4328 -2.4327 -2.3929 -2.3929 -0.7795 -0.7794 -0.7564 -0.7561 3.6315 3.6343 3.8570 3.8601 4.6212 4.6340 4.8229 4.8442 5.2402 5.2573 5.3528 5.3646 7.3990 7.4048 7.4425 7.4459 8.1300 8.1373 8.7824 8.7850 k = 0.4808 0.3220-0.0000 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3536 -34.3536 -15.6562 -15.6558 -15.6550 -15.6548 -15.3002 -15.3001 -15.2987 -15.2987 -15.2557 -15.2555 -15.2546 -15.2545 -2.4256 -2.4255 -2.3862 -2.3861 -0.7822 -0.7821 -0.7590 -0.7586 3.6257 3.6300 3.8543 3.8590 4.5839 4.6017 4.7679 4.7961 5.2406 5.2621 5.3518 5.3679 7.4647 7.4740 7.4884 7.4932 8.1361 8.1477 8.7891 8.7932 k = 0.4744 0.3331-0.0000 ( 5152 PWs) bands (ev): -34.3537 -34.3537 -34.3536 -34.3536 -15.6563 -15.6558 -15.6551 -15.6548 -15.3000 -15.2999 -15.2985 -15.2985 -15.2562 -15.2559 -15.2551 -15.2549 -2.4156 -2.4154 -2.3767 -2.3766 -0.7860 -0.7859 -0.7628 -0.7622 3.6172 3.6228 3.8496 3.8561 4.5377 4.5593 4.7009 4.7336 5.2420 5.2657 5.3511 5.3700 7.5488 7.5494 7.5561 7.5635 8.1469 8.1635 8.7988 8.8046 k = 0.4679 0.3442-0.0000 ( 5146 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6563 -15.6558 -15.6551 -15.6548 -15.2997 -15.2996 -15.2983 -15.2982 -15.2568 -15.2564 -15.2556 -15.2554 -2.4027 -2.4024 -2.3645 -2.3644 -0.7912 -0.7911 -0.7678 -0.7671 3.6052 3.6121 3.8416 3.8500 4.4858 4.5101 4.6271 4.6628 5.2439 5.2679 5.3503 5.3706 7.6227 7.6287 7.6475 7.6664 8.1651 8.1878 8.8117 8.8193 k = 0.4615 0.3553-0.0000 ( 5138 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6564 -15.6557 -15.6552 -15.6548 -15.2994 -15.2993 -15.2980 -15.2979 -15.2575 -15.2570 -15.2562 -15.2561 -2.3869 -2.3866 -2.3496 -2.3495 -0.7977 -0.7975 -0.7742 -0.7733 3.5888 3.5968 3.8285 3.8387 4.4319 4.4579 4.5519 4.5895 5.2455 5.2690 5.3487 5.3694 7.7047 7.7111 7.7478 7.7736 8.1959 8.2257 8.8278 8.8376 k = 0.4551 0.3664-0.0000 ( 5130 PWs) bands (ev): -34.3536 -34.3536 -34.3535 -34.3535 -15.6565 -15.6557 -15.6552 -15.6548 -15.2990 -15.2989 -15.2976 -15.2975 -15.2583 -15.2577 -15.2570 -15.2568 -2.3683 -2.3679 -2.3321 -2.3319 -0.8057 -0.8055 -0.7821 -0.7811 3.5669 3.5757 3.8079 3.8196 4.3795 4.4063 4.4808 4.5197 5.2467 5.2692 5.3459 5.3661 7.7916 7.7978 7.8401 7.8718 8.2490 8.2850 8.8472 8.8598 k = 0.4487 0.3775-0.0000 ( 5134 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6566 -15.6558 -15.6553 -15.6548 -15.2986 -15.2984 -15.2972 -15.2971 -15.2592 -15.2586 -15.2578 -15.2576 -2.3468 -2.3464 -2.3118 -2.3116 -0.8154 -0.8152 -0.7917 -0.7905 3.5387 3.5478 3.7771 3.7897 4.3316 4.3586 4.4194 4.4586 5.2474 5.2685 5.3414 5.3607 7.8795 7.8847 7.9143 7.9472 8.3352 8.3727 8.8691 8.8863 k = 0.4423 0.3886-0.0000 ( 5138 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6567 -15.6558 -15.6554 -15.6549 -15.2981 -15.2980 -15.2968 -15.2967 -15.2603 -15.2596 -15.2588 -15.2586 -2.3224 -2.3220 -2.2888 -2.2886 -0.8269 -0.8268 -0.8032 -0.8019 3.5033 3.5125 3.7342 3.7466 4.2908 4.3173 4.3722 4.4104 5.2473 5.2670 5.3350 5.3529 7.9594 7.9644 7.9758 7.9964 8.4548 8.4883 8.8775 8.8914 k = 0.4359 0.3997-0.0000 ( 5130 PWs) bands (ev): -34.3535 -34.3535 -34.3534 -34.3534 -15.6568 -15.6558 -15.6555 -15.6549 -15.2976 -15.2974 -15.2962 -15.2961 -15.2613 -15.2606 -15.2598 -15.2597 -2.2952 -2.2947 -2.2632 -2.2630 -0.8405 -0.8403 -0.8168 -0.8154 3.4609 3.4697 3.6788 3.6901 4.2587 4.2841 4.3411 4.3774 5.2464 5.2647 5.3264 5.3427 7.9982 8.0263 8.0435 8.0494 8.5966 8.6216 8.8611 8.8664 k = 0.4295 0.4108-0.0000 ( 5122 PWs) bands (ev): -34.3534 -34.3534 -34.3534 -34.3534 -15.6569 -15.6558 -15.6555 -15.6550 -15.2970 -15.2968 -15.2957 -15.2956 -15.2625 -15.2617 -15.2609 -15.2607 -2.2652 -2.2647 -2.2349 -2.2346 -0.8564 -0.8562 -0.8328 -0.8313 3.4121 3.4200 3.6127 3.6221 4.2360 4.2600 4.3254 4.3591 5.2446 5.2615 5.3152 5.3299 8.0229 8.0470 8.1112 8.1155 8.7421 8.7427 8.8506 8.8668 k = 0.4231 0.4219-0.0000 ( 5122 PWs) bands (ev): -34.3534 -34.3534 -34.3533 -34.3533 -15.6570 -15.6559 -15.6556 -15.6550 -15.2964 -15.2962 -15.2951 -15.2950 -15.2637 -15.2629 -15.2621 -15.2619 -2.2324 -2.2318 -2.2039 -2.2036 -0.8747 -0.8745 -0.8514 -0.8498 3.3581 3.3650 3.5389 3.5462 4.2225 4.2446 4.3229 4.3539 5.2418 5.2573 5.3013 5.3143 8.0407 8.0618 8.1665 8.1687 8.7703 8.7925 8.9367 8.9730 k = 0.4167 0.4330-0.0000 ( 5126 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6571 -15.6560 -15.6556 -15.6551 -15.2957 -15.2955 -15.2944 -15.2943 -15.2650 -15.2641 -15.2633 -15.2632 -2.1968 -2.1961 -2.1702 -2.1700 -0.8956 -0.8955 -0.8729 -0.8711 3.3008 3.3064 3.4608 3.4662 4.2172 4.2374 4.3307 4.3591 5.2380 5.2518 5.2843 5.2959 8.0541 8.0732 8.2074 8.2077 8.7544 8.7735 9.0791 9.0914 k = 0.4103 0.4441-0.0000 ( 5136 PWs) bands (ev): -34.3533 -34.3533 -34.3532 -34.3532 -15.6573 -15.6561 -15.6557 -15.6552 -15.2950 -15.2948 -15.2938 -15.2937 -15.2663 -15.2655 -15.2646 -15.2645 -2.1583 -2.1576 -2.1339 -2.1336 -0.9195 -0.9194 -0.8975 -0.8957 3.2418 3.2463 3.3816 3.3853 4.2191 4.2374 4.3465 4.3727 5.2329 5.2447 5.2641 5.2749 8.0645 8.0824 8.2317 8.2348 8.7337 8.7508 9.1372 9.1634 k = 0.4038 0.4552-0.0000 ( 5128 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6574 -15.6562 -15.6558 -15.6553 -15.2942 -15.2940 -15.2930 -15.2929 -15.2677 -15.2668 -15.2659 -15.2658 -2.1171 -2.1164 -2.0950 -2.0947 -0.9465 -0.9464 -0.9255 -0.9236 3.1829 3.1864 3.3035 3.3058 4.2272 4.2437 4.3685 4.3929 5.2263 5.2337 5.2407 5.2532 8.0728 8.0901 8.2431 8.2490 8.7134 8.7290 9.1982 9.2256 k = 0.3974 0.4663-0.0000 ( 5120 PWs) bands (ev): -34.3532 -34.3532 -34.3531 -34.3531 -15.6575 -15.6563 -15.6558 -15.6554 -15.2934 -15.2933 -15.2922 -15.2922 -15.2690 -15.2682 -15.2672 -15.2672 -2.0732 -2.0724 -2.0534 -2.0531 -0.9768 -0.9767 -0.9572 -0.9552 3.1257 3.1282 3.2285 3.2297 4.2404 4.2552 4.3955 4.4183 5.2107 5.2124 5.2214 5.2370 8.0794 8.0966 8.2437 8.2525 8.6951 8.7093 9.2610 9.2887 k = 0.3910 0.4774-0.0000 ( 5116 PWs) bands (ev): -34.3531 -34.3531 -34.3531 -34.3531 -15.6576 -15.6564 -15.6558 -15.6555 -15.2926 -15.2925 -15.2914 -15.2914 -15.2704 -15.2695 -15.2685 -15.2685 -2.0265 -2.0256 -2.0092 -2.0088 -1.0106 -1.0105 -0.9926 -0.9906 3.0715 3.0731 3.1579 3.1582 4.2580 4.2712 4.4265 4.4479 5.1801 5.1815 5.2119 5.2253 8.0845 8.1021 8.2362 8.2474 8.6792 8.6920 9.3245 9.3520 k = 0.3846 0.4885-0.0000 ( 5108 PWs) bands (ev): -34.3531 -34.3531 -34.3530 -34.3530 -15.6577 -15.6565 -15.6559 -15.6556 -15.2917 -15.2916 -15.2906 -15.2906 -15.2718 -15.2709 -15.2698 -15.2698 -1.9771 -1.9762 -1.9624 -1.9620 -1.0479 -1.0479 -1.0321 -1.0301 3.0213 3.0221 3.0925 3.0930 4.2792 4.2911 4.4607 4.4810 5.1448 5.1453 5.2019 5.2138 8.0882 8.1067 8.2229 8.2362 8.6662 8.6775 9.3879 9.4147 k = 0.3782 0.4996-0.0000 ( 5108 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6578 -15.6566 -15.6559 -15.6557 -15.2908 -15.2908 -15.2898 -15.2897 -15.2731 -15.2723 -15.2712 -15.2711 -1.9250 -1.9241 -1.9130 -1.9126 -1.0890 -1.0888 -1.0756 -1.0736 2.9760 2.9760 3.0333 3.0343 4.3036 4.3140 4.4976 4.5168 5.1048 5.1053 5.1909 5.2016 8.0909 8.1106 8.2064 8.2211 8.6560 8.6658 9.4507 9.4762 k = 0.3718 0.5107-0.0000 ( 5106 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6578 -15.6567 -15.6560 -15.6558 -15.2900 -15.2899 -15.2890 -15.2889 -15.2745 -15.2736 -15.2724 -15.2723 -1.8704 -1.8694 -1.8610 -1.8607 -1.1337 -1.1335 -1.1233 -1.1214 2.9356 2.9362 2.9811 2.9826 4.3304 4.3396 4.5366 4.5547 5.0605 5.0620 5.1789 5.1885 8.0925 8.1139 8.1885 8.2041 8.6487 8.6569 9.5119 9.5361 k = 0.3654 0.5218-0.0000 ( 5112 PWs) bands (ev): -34.3530 -34.3530 -34.3529 -34.3529 -15.6579 -15.6568 -15.6561 -15.6559 -15.2892 -15.2890 -15.2882 -15.2880 -15.2758 -15.2749 -15.2736 -15.2735 -1.8131 -1.8122 -1.8065 -1.8063 -1.1823 -1.1818 -1.1750 -1.1732 2.9011 2.9024 2.9364 2.9383 4.3591 4.3671 4.5772 4.5942 5.0126 5.0153 5.1662 5.1748 8.0932 8.1166 8.1710 8.1867 8.6441 8.6507 9.5704 9.5926 k = 0.3590 0.5329-0.0000 ( 5124 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6580 -15.6570 -15.6561 -15.6560 -15.2885 -15.2881 -15.2874 -15.2872 -15.2770 -15.2762 -15.2748 -15.2747 -1.7535 -1.7527 -1.7494 -1.7494 -1.2348 -1.2338 -1.2302 -1.2290 2.8731 2.8749 2.8993 2.9015 4.3890 4.3957 4.6186 4.6344 4.9618 4.9657 5.1533 5.1608 8.0931 8.1191 8.1554 8.1703 8.6417 8.6467 9.6236 9.6429 k = 0.3526 0.5440-0.0000 ( 5128 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6570 -15.6562 -15.6561 -15.2878 -15.2873 -15.2867 -15.2864 -15.2781 -15.2774 -15.2757 -15.2756 -1.6917 -1.6915 -1.6901 -1.6891 -1.2928 -1.2907 -1.2871 -1.2870 2.8517 2.8541 2.8701 2.8726 4.4190 4.4243 4.6600 4.6744 4.9093 4.9144 5.1408 5.1470 8.0923 8.1214 8.1427 8.1558 8.6411 8.6447 9.6671 9.6816 k = 0.3462 0.5551-0.0000 ( 5132 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6561 -15.2873 -15.2864 -15.2861 -15.2858 -15.2790 -15.2784 -15.2765 -15.2764 -1.6301 -1.6290 -1.6279 -1.6258 -1.3557 -1.3536 -1.3450 -1.3450 2.8368 2.8398 2.8488 2.8514 4.4472 4.4510 4.7003 4.7127 4.8571 4.8638 5.1298 5.1344 8.0907 8.1237 8.1338 8.1441 8.6417 8.6440 9.6962 9.7046 k = 0.3397 0.5662-0.0000 ( 5140 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6562 -15.2869 -15.2858 -15.2858 -15.2854 -15.2795 -15.2792 -15.2770 -15.2770 -1.5690 -1.5680 -1.5640 -1.5617 -1.4212 -1.4195 -1.4023 -1.4023 2.8285 2.8323 2.8355 2.8380 4.4698 4.4718 4.7377 4.7465 4.8091 4.8188 5.1220 5.1246 8.0891 8.1261 8.1289 8.1358 8.6429 8.6439 9.7108 9.7140 k = 0.3333 0.5774-0.0000 ( 5142 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6572 -15.6562 -15.6562 -15.2868 -15.2856 -15.2854 -15.2854 -15.2796 -15.2796 -15.2771 -15.2771 -1.5288 -1.5288 -1.5166 -1.5135 -1.4709 -1.4709 -1.4386 -1.4386 2.8260 2.8306 2.8306 2.8330 4.4801 4.4801 4.7642 4.7642 4.7781 4.7954 5.1198 5.1198 8.0883 8.1274 8.1274 8.1324 8.6437 8.6437 9.7154 9.7154 k = 0.3333 0.5774-0.0000 ( 5142 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6572 -15.6562 -15.6562 -15.2868 -15.2856 -15.2854 -15.2854 -15.2796 -15.2796 -15.2771 -15.2771 -1.5288 -1.5288 -1.5166 -1.5135 -1.4709 -1.4709 -1.4386 -1.4386 2.8260 2.8306 2.8306 2.8330 4.4801 4.4801 4.7642 4.7642 4.7781 4.7954 5.1198 5.1198 8.0883 8.1274 8.1274 8.1324 8.6437 8.6437 9.7154 9.7154 k = 0.3269 0.5662-0.0000 ( 5134 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6562 -15.2869 -15.2858 -15.2858 -15.2854 -15.2795 -15.2792 -15.2770 -15.2770 -1.5770 -1.5752 -1.5598 -1.5588 -1.4205 -1.4204 -1.3982 -1.3977 2.8286 2.8331 2.8345 2.8378 4.4674 4.4688 4.7535 4.7583 4.7969 4.8071 5.1226 5.1259 8.0894 8.1274 8.1286 8.1346 8.6426 8.6436 9.7125 9.7143 k = 0.3205 0.5551-0.0000 ( 5134 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6561 -15.2872 -15.2863 -15.2861 -15.2857 -15.2790 -15.2784 -15.2765 -15.2765 -1.6516 -1.6498 -1.6253 -1.6246 -1.3506 -1.3504 -1.3289 -1.3281 2.8375 2.8419 2.8458 2.8498 4.4306 4.4325 4.7615 4.7661 4.8110 4.8175 5.1357 5.1424 8.0929 8.1299 8.1320 8.1387 8.6397 8.6414 9.7070 9.7098 k = 0.3141 0.5440-0.0000 ( 5138 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6570 -15.6561 -15.6561 -15.2878 -15.2870 -15.2866 -15.2862 -15.2782 -15.2775 -15.2758 -15.2758 -1.7306 -1.7288 -1.6963 -1.6957 -1.2771 -1.2768 -1.2536 -1.2526 2.8530 2.8576 2.8634 2.8680 4.3757 4.3775 4.7865 4.7868 4.8149 4.8224 5.1597 5.1695 8.0991 8.1357 8.1375 8.1438 8.6340 8.6364 9.6996 9.7032 k = 0.3077 0.5329-0.0000 ( 5138 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6580 -15.6569 -15.6560 -15.6560 -15.2884 -15.2875 -15.2872 -15.2868 -15.2773 -15.2765 -15.2750 -15.2749 -1.8121 -1.8105 -1.7702 -1.7695 -1.2009 -1.2006 -1.1749 -1.1738 2.8751 2.8798 2.8871 2.8923 4.3097 4.3113 4.7943 4.8028 4.8292 4.8416 5.1933 5.2054 8.1077 8.1447 8.1450 8.1500 8.6249 8.6277 9.6907 9.6948 k = 0.3013 0.5218-0.0000 ( 5122 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6579 -15.6567 -15.6559 -15.6558 -15.2891 -15.2880 -15.2878 -15.2874 -15.2762 -15.2754 -15.2740 -15.2739 -1.8957 -1.8942 -1.8461 -1.8453 -1.1222 -1.1219 -1.0937 -1.0925 2.9034 2.9084 2.9165 2.9223 4.2373 4.2390 4.7816 4.7897 4.8718 4.8813 5.2340 5.2475 8.1182 8.1539 8.1550 8.1601 8.6118 8.6149 9.6799 9.6848 k = 0.2949 0.5107-0.0000 ( 5116 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6577 -15.6565 -15.6557 -15.6556 -15.2897 -15.2885 -15.2883 -15.2879 -15.2750 -15.2742 -15.2729 -15.2728 -1.9808 -1.9794 -1.9234 -1.9226 -1.0413 -1.0410 -1.0102 -1.0089 2.9377 2.9429 2.9513 2.9578 4.1613 4.1631 4.7612 4.7697 4.9204 4.9284 5.2792 5.2936 8.1298 8.1614 8.1679 8.1757 8.5944 8.5978 9.6669 9.6731 k = 0.2885 0.4996-0.0000 ( 5112 PWs) bands (ev): -34.3531 -34.3531 -34.3531 -34.3531 -15.6575 -15.6563 -15.6554 -15.6554 -15.2904 -15.2889 -15.2888 -15.2884 -15.2739 -15.2730 -15.2718 -15.2717 -2.0671 -2.0658 -2.0019 -2.0011 -0.9581 -0.9578 -0.9246 -0.9233 2.9776 2.9832 2.9912 2.9984 4.0831 4.0853 4.7369 4.7460 4.9726 4.9796 5.3270 5.3420 8.1415 8.1688 8.1844 8.1949 8.5731 8.5764 9.6515 9.6590 k = 0.2821 0.4885-0.0000 ( 5114 PWs) bands (ev): -34.3532 -34.3532 -34.3531 -34.3531 -15.6573 -15.6560 -15.6552 -15.6551 -15.2910 -15.2893 -15.2892 -15.2888 -15.2726 -15.2718 -15.2706 -15.2705 -2.1544 -2.1531 -2.0811 -2.0803 -0.8728 -0.8726 -0.8372 -0.8358 3.0228 3.0288 3.0359 3.0440 4.0040 4.0068 4.7101 4.7198 5.0274 5.0337 5.3760 5.3913 8.1527 8.1761 8.2046 8.2171 8.5484 8.5516 9.6350 9.6428 k = 0.2756 0.4774-0.0000 ( 5114 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6570 -15.6557 -15.6549 -15.6548 -15.2915 -15.2897 -15.2894 -15.2892 -15.2714 -15.2706 -15.2694 -15.2693 -2.2422 -2.2410 -2.1609 -2.1601 -0.7855 -0.7852 -0.7480 -0.7466 3.0731 3.0796 3.0851 3.0942 3.9248 3.9284 4.6818 4.6921 5.0845 5.0903 5.4251 5.4405 8.1629 8.1830 8.2284 8.2421 8.5218 8.5246 9.6184 9.6258 k = 0.2692 0.4663-0.0000 ( 5106 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6567 -15.6554 -15.6545 -15.6544 -15.2919 -15.2899 -15.2896 -15.2895 -15.2701 -15.2693 -15.2682 -15.2681 -2.3302 -2.3292 -2.2410 -2.2401 -0.6962 -0.6959 -0.6574 -0.6559 3.1281 3.1351 3.1382 3.1488 3.8463 3.8511 4.6526 4.6637 5.1437 5.1490 5.4732 5.4887 8.1721 8.1890 8.2553 8.2696 8.4949 8.4970 9.6005 9.6063 k = 0.2628 0.4552-0.0000 ( 5102 PWs) bands (ev): -34.3534 -34.3534 -34.3534 -34.3534 -15.6564 -15.6549 -15.6541 -15.6540 -15.2923 -15.2901 -15.2897 -15.2896 -15.2688 -15.2680 -15.2669 -15.2668 -2.4184 -2.4174 -2.3210 -2.3201 -0.6050 -0.6048 -0.5654 -0.5639 3.1875 3.1947 3.1951 3.2074 3.7691 3.7759 4.6232 4.6349 5.2046 5.2096 5.5196 5.5351 8.1796 8.1933 8.2847 8.2994 8.4698 8.4708 9.5791 9.5832 k = 0.2564 0.4441-0.0000 ( 5100 PWs) bands (ev): -34.3536 -34.3536 -34.3535 -34.3535 -15.6560 -15.6545 -15.6537 -15.6535 -15.2926 -15.2903 -15.2898 -15.2896 -15.2675 -15.2667 -15.2656 -15.2655 -2.5063 -2.5054 -2.4008 -2.3999 -0.5120 -0.5118 -0.4724 -0.4709 3.2509 3.2537 3.2592 3.2695 3.6943 3.7040 4.5938 4.6063 5.2671 5.2718 5.5634 5.5788 8.1850 8.1953 8.3163 8.3314 8.4483 8.4486 9.5535 9.5564 k = 0.2500 0.4330-0.0000 ( 5104 PWs) bands (ev): -34.3537 -34.3537 -34.3536 -34.3536 -15.6556 -15.6540 -15.6532 -15.6529 -15.2928 -15.2903 -15.2899 -15.2895 -15.2662 -15.2654 -15.2643 -15.2642 -2.5938 -2.5930 -2.4803 -2.4793 -0.4174 -0.4171 -0.3786 -0.3771 3.3120 3.3188 3.3265 3.3346 3.6231 3.6383 4.5648 4.5783 5.3312 5.3357 5.6039 5.6192 8.1877 8.1944 8.3494 8.3651 8.4319 8.4333 9.5237 9.5261 k = 0.2436 0.4219-0.0000 ( 5096 PWs) bands (ev): -34.3538 -34.3538 -34.3538 -34.3538 -15.6551 -15.6534 -15.6527 -15.6523 -15.2929 -15.2902 -15.2899 -15.2893 -15.2648 -15.2640 -15.2630 -15.2628 -2.6806 -2.6799 -2.5591 -2.5581 -0.3211 -0.3209 -0.2844 -0.2828 3.3640 3.3897 3.3927 3.4031 3.5600 3.5859 4.5367 4.5513 5.3967 5.4010 5.6404 5.6555 8.1879 8.1910 8.3820 8.3998 8.4246 8.4256 9.4903 9.4923 k = 0.2372 0.4108-0.0000 ( 5092 PWs) bands (ev): -34.3540 -34.3540 -34.3539 -34.3539 -15.6546 -15.6528 -15.6521 -15.6517 -15.2929 -15.2901 -15.2898 -15.2890 -15.2635 -15.2626 -15.2617 -15.2615 -2.7667 -2.7660 -2.6371 -2.6362 -0.2235 -0.2233 -0.1901 -0.1884 3.3882 3.4293 3.4638 3.4772 3.5310 3.5679 4.5097 4.5256 5.4635 5.4676 5.6722 5.6870 8.1862 8.1863 8.4039 8.4197 8.4368 8.4409 9.4536 9.4557 k = 0.2308 0.3997-0.0000 ( 5102 PWs) bands (ev): -34.3541 -34.3541 -34.3541 -34.3541 -15.6541 -15.6522 -15.6515 -15.6510 -15.2929 -15.2899 -15.2896 -15.2887 -15.2621 -15.2613 -15.2603 -15.2602 -2.8517 -2.8511 -2.7143 -2.7133 -0.1245 -0.1244 -0.0961 -0.0944 3.3673 3.3959 3.5409 3.5555 3.5781 3.6023 4.4842 4.5016 5.5314 5.5356 5.6986 5.7130 8.1822 8.1849 8.4125 8.4248 8.4698 8.4781 9.4145 9.4167 k = 0.2244 0.3886-0.0000 ( 5102 PWs) bands (ev): -34.3543 -34.3543 -34.3542 -34.3542 -15.6535 -15.6515 -15.6509 -15.6502 -15.2928 -15.2896 -15.2894 -15.2882 -15.2607 -15.2599 -15.2590 -15.2588 -2.9356 -2.9350 -2.7903 -2.7893 -0.0244 -0.0243 -0.0029 -0.0013 3.3245 3.3436 3.6204 3.6369 3.6514 3.6663 4.4606 4.4798 5.6002 5.6047 5.7194 5.7332 8.1810 8.1858 8.4218 8.4333 8.5084 8.5175 9.3737 9.3762 k = 0.2179 0.3775-0.0000 ( 5094 PWs) bands (ev): -34.3545 -34.3545 -34.3544 -34.3544 -15.6528 -15.6508 -15.6502 -15.6495 -15.2926 -15.2893 -15.2891 -15.2877 -15.2592 -15.2585 -15.2576 -15.2574 -3.0182 -3.0177 -2.8651 -2.8641 0.0766 0.0766 0.0888 0.0904 3.2784 3.2927 3.7019 3.7208 3.7315 3.7418 4.4392 4.4607 5.6689 5.6747 5.7350 5.7472 8.1845 8.1910 8.4337 8.4448 8.5487 8.5577 9.3322 9.3350 k = 0.2115 0.3664-0.0000 ( 5100 PWs) bands (ev): -34.3546 -34.3546 -34.3546 -34.3546 -15.6522 -15.6500 -15.6495 -15.6486 -15.2924 -15.2889 -15.2887 -15.2872 -15.2578 -15.2570 -15.2562 -15.2559 -3.0993 -3.0989 -2.9386 -2.9376 0.1768 0.1783 0.1800 0.1801 3.2352 3.2467 3.7849 3.8069 3.8153 3.8231 4.4206 4.4450 5.7256 5.7420 5.7571 5.7583 8.1942 8.2019 8.4478 8.4583 8.5895 8.5982 9.2909 9.2940 k = 0.2051 0.3553-0.0000 ( 5098 PWs) bands (ev): -34.3548 -34.3548 -34.3548 -34.3548 -15.6515 -15.6492 -15.6488 -15.6478 -15.2921 -15.2885 -15.2882 -15.2865 -15.2563 -15.2555 -15.2547 -15.2545 -3.1789 -3.1785 -3.0107 -3.0097 0.2648 0.2668 0.2807 0.2811 3.1977 3.2074 3.8684 3.8943 3.9018 3.9082 4.4057 4.4337 5.7360 5.7531 5.8197 5.8200 8.2107 8.2196 8.4633 8.4730 8.6303 8.6385 9.2507 9.2542 k = 0.1987 0.3442-0.0000 ( 5110 PWs) bands (ev): -34.3550 -34.3550 -34.3550 -34.3550 -15.6508 -15.6485 -15.6480 -15.6469 -15.2917 -15.2881 -15.2877 -15.2859 -15.2548 -15.2541 -15.2533 -15.2531 -3.2569 -3.2565 -3.0812 -3.0802 0.3480 0.3499 0.3833 0.3836 3.1674 3.1758 3.9512 3.9820 3.9908 3.9961 4.3954 4.4282 5.7315 5.7475 5.8915 5.8927 8.2347 8.2446 8.4794 8.4882 8.6702 8.6777 9.2128 9.2166 k = 0.1923 0.3331-0.0000 ( 5120 PWs) bands (ev): -34.3552 -34.3552 -34.3552 -34.3552 -15.6501 -15.6476 -15.6472 -15.6460 -15.2913 -15.2876 -15.2871 -15.2852 -15.2533 -15.2526 -15.2518 -15.2516 -3.3331 -3.3327 -3.1501 -3.1491 0.4265 0.4284 0.4858 0.4861 3.1457 3.1532 4.0311 4.0678 4.0818 4.0862 4.3920 4.4308 5.7198 5.7354 5.9651 5.9665 8.2661 8.2770 8.4956 8.5033 8.7080 8.7147 9.1782 9.1823 k = 0.1859 0.3220-0.0000 ( 5124 PWs) bands (ev): -34.3555 -34.3555 -34.3554 -34.3554 -15.6493 -15.6468 -15.6463 -15.6451 -15.2909 -15.2871 -15.2865 -15.2845 -15.2518 -15.2511 -15.2503 -15.2501 -3.4074 -3.4071 -3.2172 -3.2163 0.4996 0.5015 0.5881 0.5884 3.1338 3.1405 4.1048 4.1476 4.1745 4.1781 4.3997 4.4450 5.7021 5.7176 6.0395 6.0410 8.3048 8.3167 8.5111 8.5176 8.7421 8.7478 9.1486 9.1529 k = 0.1795 0.3109-0.0000 ( 5118 PWs) bands (ev): -34.3557 -34.3557 -34.3556 -34.3556 -15.6485 -15.6459 -15.6455 -15.6441 -15.2903 -15.2866 -15.2857 -15.2837 -15.2502 -15.2495 -15.2488 -15.2486 -3.4798 -3.4796 -3.2826 -3.2816 0.5664 0.5682 0.6898 0.6901 3.1327 3.1387 4.1676 4.2136 4.2686 4.2714 4.4267 4.4755 5.6792 5.6946 6.1147 6.1161 8.3503 8.3631 8.5254 8.5305 8.7704 8.7748 9.1255 9.1298 k = 0.1731 0.2998-0.0000 ( 5130 PWs) bands (ev): -34.3559 -34.3559 -34.3558 -34.3558 -15.6478 -15.6451 -15.6446 -15.6431 -15.2898 -15.2861 -15.2850 -15.2829 -15.2486 -15.2480 -15.2473 -15.2471 -3.5502 -3.5500 -3.3461 -3.3452 0.6260 0.6277 0.7904 0.7907 3.1434 3.1489 4.2165 4.2582 4.3638 4.3658 4.4805 4.5256 5.6517 5.6673 6.1903 6.1917 8.4019 8.4157 8.5380 8.5414 8.7904 8.7934 9.1098 9.1141 k = 0.1667 0.2887-0.0000 ( 5130 PWs) bands (ev): -34.3561 -34.3561 -34.3560 -34.3560 -15.6469 -15.6443 -15.6436 -15.6422 -15.2893 -15.2855 -15.2843 -15.2821 -15.2469 -15.2464 -15.2457 -15.2455 -3.6185 -3.6183 -3.4077 -3.4068 0.6778 0.6794 0.8897 0.8900 3.1665 3.1716 4.2528 4.2856 4.4598 4.4612 4.5572 4.5940 5.6205 5.6362 6.2664 6.2678 8.4587 8.4733 8.5486 8.5497 8.8007 8.8022 9.1007 9.1047 k = 0.1603 0.2776-0.0000 ( 5134 PWs) bands (ev): -34.3564 -34.3564 -34.3563 -34.3563 -15.6461 -15.6435 -15.6427 -15.6412 -15.2887 -15.2850 -15.2835 -15.2813 -15.2453 -15.2447 -15.2441 -15.2439 -3.6847 -3.6845 -3.4673 -3.4664 0.7214 0.7229 0.9871 0.9875 3.2028 3.2073 4.2818 4.3057 4.5564 4.5571 4.6468 4.6754 5.5862 5.6022 6.3427 6.3441 8.5192 8.5312 8.5555 8.5604 8.8014 8.8016 9.0940 9.0975 k = 0.1538 0.2665-0.0000 ( 5134 PWs) bands (ev): -34.3566 -34.3566 -34.3565 -34.3565 -15.6453 -15.6426 -15.6418 -15.6402 -15.2881 -15.2844 -15.2827 -15.2805 -15.2436 -15.2431 -15.2425 -15.2423 -3.7486 -3.7485 -3.5249 -3.5240 0.7566 0.7580 1.0823 1.0828 3.2522 3.2563 4.3085 4.3252 4.6531 4.6532 4.7427 4.7649 5.5496 5.5661 6.4193 6.4206 8.5522 8.5528 8.5874 8.6090 8.7941 8.7946 9.0834 9.0855 k = 0.1474 0.2554-0.0000 ( 5124 PWs) bands (ev): -34.3568 -34.3568 -34.3567 -34.3567 -15.6444 -15.6418 -15.6408 -15.6392 -15.2874 -15.2838 -15.2819 -15.2797 -15.2419 -15.2414 -15.2409 -15.2407 -3.8103 -3.8102 -3.5804 -3.5795 0.7836 0.7849 1.1749 1.1753 3.3148 3.3185 4.3363 4.3472 4.7491 4.7497 4.8420 4.8593 5.5116 5.5286 6.4960 6.4972 8.5506 8.5522 8.6522 8.6770 8.7831 8.7834 9.0643 9.0645 k = 0.1410 0.2443-0.0000 ( 5124 PWs) bands (ev): -34.3570 -34.3570 -34.3569 -34.3569 -15.6436 -15.6410 -15.6399 -15.6383 -15.2868 -15.2832 -15.2811 -15.2789 -15.2402 -15.2398 -15.2393 -15.2391 -3.8697 -3.8696 -3.6338 -3.6329 0.8028 0.8040 1.2642 1.2648 3.3901 3.3935 4.3673 4.3734 4.8444 4.8458 4.9427 4.9561 5.4731 5.4906 6.5729 6.5739 8.5431 8.5465 8.7140 8.7464 8.7708 8.7744 9.0342 9.0371 k = 0.1346 0.2332-0.0000 ( 5128 PWs) bands (ev): -34.3573 -34.3573 -34.3572 -34.3572 -15.6428 -15.6402 -15.6389 -15.6374 -15.2861 -15.2827 -15.2803 -15.2782 -15.2385 -15.2381 -15.2376 -15.2375 -3.9267 -3.9266 -3.6850 -3.6842 0.8148 0.8158 1.3500 1.3506 3.4775 3.4806 4.4028 4.4047 4.9385 4.9408 5.0435 5.0537 5.4353 5.4532 6.6498 6.6507 8.5311 8.5361 8.7396 8.7551 8.7994 8.8178 8.9978 9.0038 k = 0.1282 0.2221-0.0000 ( 5130 PWs) bands (ev): -34.3575 -34.3575 -34.3574 -34.3574 -15.6420 -15.6395 -15.6380 -15.6365 -15.2855 -15.2822 -15.2795 -15.2774 -15.2368 -15.2364 -15.2360 -15.2358 -3.9813 -3.9812 -3.7340 -3.7332 0.8204 0.8213 1.4317 1.4324 3.5763 3.5791 4.4416 4.4438 5.0304 5.0342 5.1426 5.1494 5.4010 5.4184 6.7267 6.7276 8.5152 8.5214 8.7309 8.7419 8.8518 8.8822 8.9583 8.9688 k = 0.1218 0.2110-0.0000 ( 5131 PWs) bands (ev): -34.3577 -34.3577 -34.3576 -34.3576 -15.6412 -15.6387 -15.6371 -15.6356 -15.2849 -15.2816 -15.2788 -15.2767 -15.2350 -15.2347 -15.2344 -15.2342 -4.0335 -4.0334 -3.7808 -3.7801 0.8205 0.8214 1.5090 1.5098 3.6855 3.6881 4.4843 4.4907 5.1179 5.1247 5.2347 5.2360 5.3791 5.3924 6.8038 6.8046 8.4959 8.5030 8.7189 8.7298 8.8834 8.9074 8.9453 8.9467 k = 0.1154 0.1999-0.0000 ( 5131 PWs) bands (ev): -34.3579 -34.3579 -34.3578 -34.3578 -15.6405 -15.6380 -15.6362 -15.6347 -15.2842 -15.2811 -15.2781 -15.2761 -15.2333 -15.2330 -15.2328 -15.2326 -4.0831 -4.0831 -3.8254 -3.8246 0.8161 0.8168 1.5816 1.5825 3.8043 3.8066 4.5330 4.5439 5.1916 5.2082 5.2881 5.2948 5.4037 5.4040 6.8810 6.8817 8.4739 8.4817 8.7073 8.7190 8.8620 8.8653 8.9608 8.9790 k = 0.1090 0.1887-0.0000 ( 5127 PWs) bands (ev): -34.3581 -34.3581 -34.3580 -34.3580 -15.6397 -15.6374 -15.6354 -15.6339 -15.2836 -15.2807 -15.2773 -15.2754 -15.2316 -15.2314 -15.2311 -15.2310 -4.1303 -4.1303 -3.8676 -3.8669 0.8079 0.8086 1.6492 1.6501 3.9316 3.9337 4.5872 4.6034 5.2165 5.2540 5.3293 5.3335 5.4776 5.4817 6.9586 6.9592 8.4498 8.4580 8.6959 8.7092 8.8191 8.8215 8.9725 8.9900 k = 0.1026 0.1776-0.0000 ( 5127 PWs) bands (ev): -34.3583 -34.3583 -34.3582 -34.3582 -15.6390 -15.6367 -15.6346 -15.6331 -15.2831 -15.2802 -15.2767 -15.2748 -15.2300 -15.2297 -15.2295 -15.2294 -4.1749 -4.1749 -3.9076 -3.9069 0.7969 0.7974 1.7116 1.7127 4.0668 4.0687 4.6461 4.6689 5.1984 5.2425 5.4016 5.4060 5.5695 5.5731 7.0366 7.0371 8.4240 8.4325 8.6834 8.6989 8.7728 8.7788 8.9652 8.9769 k = 0.0962 0.1665-0.0000 ( 5139 PWs) bands (ev): -34.3585 -34.3585 -34.3584 -34.3584 -15.6383 -15.6362 -15.6338 -15.6324 -15.2825 -15.2799 -15.2760 -15.2743 -15.2284 -15.2282 -15.2280 -15.2278 -4.2170 -4.2170 -3.9452 -3.9446 0.7836 0.7841 1.7688 1.7699 4.2089 4.2106 4.7081 4.7395 5.1717 5.2225 5.4798 5.4831 5.6634 5.6661 7.1153 7.1157 8.3970 8.4057 8.6645 8.6808 8.7335 8.7408 8.9395 8.9454 k = 0.0897 0.1554-0.0000 ( 5141 PWs) bands (ev): -34.3587 -34.3587 -34.3586 -34.3586 -15.6377 -15.6356 -15.6330 -15.6317 -15.2820 -15.2795 -15.2754 -15.2737 -15.2268 -15.2266 -15.2265 -15.2264 -4.2564 -4.2564 -3.9805 -3.9799 0.7689 0.7694 1.8208 1.8219 4.3571 4.3587 4.7701 4.8129 5.1467 5.2076 5.5558 5.5585 5.7562 5.7580 7.1948 7.1951 8.3690 8.3778 8.6301 8.6414 8.7142 8.7164 8.8985 8.9000 k = 0.0833 0.1443-0.0000 ( 5141 PWs) bands (ev): -34.3589 -34.3589 -34.3588 -34.3588 -15.6371 -15.6351 -15.6323 -15.6310 -15.2814 -15.2791 -15.2748 -15.2732 -15.2253 -15.2251 -15.2250 -15.2249 -4.2933 -4.2933 -4.0134 -4.0128 0.7533 0.7537 1.8675 1.8687 4.5110 4.5124 4.8268 4.8839 5.1308 5.2049 5.6279 5.6303 5.8464 5.8474 7.2755 7.2757 8.3400 8.3489 8.5798 8.5865 8.7052 8.7077 8.8438 8.8455 k = 0.0769 0.1332-0.0000 ( 5141 PWs) bands (ev): -34.3591 -34.3591 -34.3590 -34.3590 -15.6364 -15.6346 -15.6317 -15.6304 -15.2809 -15.2788 -15.2743 -15.2728 -15.2239 -15.2237 -15.2236 -15.2235 -4.3275 -4.3275 -4.0439 -4.0434 0.7373 0.7376 1.9094 1.9106 4.6696 4.6709 4.8708 4.9383 5.1382 5.2220 5.6955 5.6977 5.9333 5.9336 7.3575 7.3576 8.3097 8.3186 8.5190 8.5234 8.7001 8.7054 8.7796 8.7836 k = 0.0705 0.1221-0.0000 ( 5141 PWs) bands (ev): -34.3593 -34.3593 -34.3591 -34.3591 -15.6359 -15.6342 -15.6310 -15.6299 -15.2805 -15.2785 -15.2737 -15.2724 -15.2225 -15.2224 -15.2223 -15.2222 -4.3590 -4.3590 -4.0720 -4.0715 0.7213 0.7216 1.9464 1.9476 4.8325 4.8337 4.8962 4.9592 5.1858 5.2645 5.7580 5.7603 6.0160 6.0161 7.4408 7.4411 8.2773 8.2861 8.4495 8.4530 8.6960 8.7040 8.7108 8.7176 k = 0.0641 0.1110-0.0000 ( 5145 PWs) bands (ev): -34.3594 -34.3594 -34.3593 -34.3593 -15.6354 -15.6338 -15.6304 -15.6294 -15.2801 -15.2782 -15.2733 -15.2720 -15.2213 -15.2212 -15.2210 -15.2209 -4.3878 -4.3878 -4.0977 -4.0973 0.7057 0.7059 1.9790 1.9801 4.9041 4.9535 4.9993 5.0001 5.2655 5.3304 5.8154 5.8177 6.0939 6.0944 7.5254 7.5261 8.2414 8.2500 8.3710 8.3741 8.6382 8.6429 8.6994 8.7053 k = 0.0577 0.0999-0.0000 ( 5141 PWs) bands (ev): -34.3595 -34.3595 -34.3594 -34.3594 -15.6349 -15.6334 -15.6299 -15.6289 -15.2797 -15.2780 -15.2728 -15.2717 -15.2201 -15.2200 -15.2198 -15.2197 -4.4140 -4.4140 -4.1210 -4.1206 0.6907 0.6909 2.0073 2.0084 4.9008 4.9383 5.1685 5.1694 5.3600 5.4125 5.8675 5.8700 6.1667 6.1675 7.6113 7.6128 8.2000 8.2081 8.2824 8.2858 8.5685 8.5738 8.6991 8.7060 k = 0.0513 0.0888-0.0000 ( 5135 PWs) bands (ev): -34.3597 -34.3597 -34.3596 -34.3595 -15.6344 -15.6331 -15.6294 -15.6285 -15.2793 -15.2778 -15.2724 -15.2714 -15.2190 -15.2189 -15.2187 -15.2186 -4.4374 -4.4374 -4.1419 -4.1415 0.6768 0.6769 2.0317 2.0328 4.8918 4.9203 5.3400 5.3408 5.4607 5.5038 5.9144 5.9171 6.2340 6.2350 7.6977 7.7008 8.1499 8.1578 8.1832 8.1872 8.5051 8.5100 8.6996 8.7068 k = 0.0449 0.0777-0.0000 ( 5129 PWs) bands (ev): -34.3598 -34.3598 -34.3597 -34.3597 -15.6340 -15.6329 -15.6289 -15.6281 -15.2789 -15.2776 -15.2720 -15.2712 -15.2180 -15.2179 -15.2177 -15.2177 -4.4581 -4.4581 -4.1603 -4.1600 0.6640 0.6641 2.0525 2.0535 4.8805 4.9025 5.5126 5.5134 5.5630 5.5992 5.9563 5.9592 6.2952 6.2962 7.7823 7.7895 8.0678 8.0798 8.0950 8.0977 8.4517 8.4557 8.7000 8.7073 k = 0.0385 0.0666-0.0000 ( 5129 PWs) bands (ev): -34.3599 -34.3599 -34.3598 -34.3598 -15.6336 -15.6327 -15.6285 -15.6278 -15.2786 -15.2775 -15.2717 -15.2710 -15.2171 -15.2171 -15.2168 -15.2168 -4.4761 -4.4761 -4.1763 -4.1760 0.6526 0.6527 2.0699 2.0708 4.8690 4.8860 5.6629 5.6848 5.6856 5.6952 5.9938 5.9968 6.3501 6.3510 7.8480 7.8741 7.9510 7.9799 8.0262 8.0294 8.4100 8.4129 8.7000 8.7074 k = 0.0321 0.0555-0.0000 ( 5125 PWs) bands (ev): -34.3600 -34.3600 -34.3598 -34.3598 -15.6333 -15.6325 -15.6281 -15.6276 -15.2783 -15.2774 -15.2714 -15.2708 -15.2164 -15.2164 -15.2161 -15.2161 -4.4913 -4.4913 -4.1898 -4.1896 0.6427 0.6428 2.0842 2.0850 4.8584 4.8714 5.7577 5.7837 5.8556 5.8561 6.0281 6.0311 6.3985 6.3991 7.7913 7.8069 7.9494 7.9511 7.9771 7.9994 8.3790 8.3810 8.6992 8.7065 k = 0.0256 0.0444-0.0000 ( 5117 PWs) bands (ev): -34.3600 -34.3600 -34.3599 -34.3599 -15.6330 -15.6323 -15.6278 -15.6274 -15.2781 -15.2773 -15.2712 -15.2707 -15.2157 -15.2157 -15.2155 -15.2154 -4.5038 -4.5037 -4.2009 -4.2007 0.6344 0.6345 2.0957 2.0963 4.8492 4.8590 5.8420 5.8635 6.0155 6.0171 6.0653 6.0660 6.4409 6.4412 7.6622 7.6690 7.8781 7.8794 8.0630 8.0755 8.3570 8.3585 8.6967 8.7040 k = 0.0192 0.0333-0.0000 ( 5117 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6328 -15.6323 -15.6276 -15.6272 -15.2779 -15.2773 -15.2709 -15.2706 -15.2153 -15.2153 -15.2150 -15.2150 -4.5134 -4.5134 -4.2095 -4.2094 0.6279 0.6280 2.1044 2.1048 4.8420 4.8490 5.9105 5.9268 6.0846 6.0878 6.1784 6.1802 6.4792 6.4792 7.5251 7.5290 7.8113 7.8127 8.1475 8.1570 8.3427 8.3441 8.6908 8.6981 k = 0.0128 0.0222-0.0000 ( 5113 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6326 -15.6323 -15.6274 -15.6271 -15.2777 -15.2773 -15.2708 -15.2705 -15.2150 -15.2150 -15.2146 -15.2146 -4.5204 -4.5204 -4.2157 -4.2156 0.6232 0.6232 2.1105 2.1108 4.8370 4.8415 5.9590 5.9694 6.1158 6.1171 6.3043 6.3055 6.5186 6.5188 7.3954 7.3978 7.7574 7.7586 8.2221 8.2297 8.3367 8.3382 8.6781 8.6841 k = 0.0064 0.0111-0.0000 ( 5121 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6324 -15.6323 -15.6272 -15.6271 -15.2775 -15.2774 -15.2707 -15.2705 -15.2148 -15.2148 -15.2144 -15.2144 -4.5245 -4.5245 -4.2193 -4.2193 0.6204 0.6204 2.1142 2.1143 4.8344 4.8366 5.9870 5.9919 6.1387 6.1389 6.3826 6.3832 6.5639 6.5639 7.2936 7.2948 7.7223 7.7230 8.2722 8.2765 8.3442 8.3448 8.6571 8.6599 k = 0.0000 0.0000 0.0000 ( 5147 PWs) bands (ev): -34.3602 -34.3602 -34.3600 -34.3600 -15.6324 -15.6324 -15.6272 -15.6272 -15.2775 -15.2775 -15.2706 -15.2706 -15.2148 -15.2148 -15.2144 -15.2144 -4.5259 -4.5259 -4.2206 -4.2206 0.6194 0.6194 2.1154 2.1154 4.8342 4.8342 5.9973 5.9973 6.1473 6.1473 6.4063 6.4063 6.5887 6.5887 7.2528 7.2528 7.7103 7.7103 8.2873 8.2873 8.3547 8.3547 8.6447 8.6447 k = 0.0000 0.0000 0.0000 ( 5147 PWs) bands (ev): -34.3602 -34.3602 -34.3600 -34.3600 -15.6324 -15.6324 -15.6272 -15.6272 -15.2775 -15.2775 -15.2706 -15.2706 -15.2148 -15.2148 -15.2144 -15.2144 -4.5259 -4.5259 -4.2206 -4.2206 0.6194 0.6194 2.1154 2.1154 4.8342 4.8342 5.9973 5.9973 6.1473 6.1473 6.4063 6.4063 6.5887 6.5887 7.2528 7.2528 7.7103 7.7103 8.2873 8.2873 8.3547 8.3547 8.6447 8.6447 k = 0.0000 0.0000 0.0124 ( 5135 PWs) bands (ev): -34.3601 -34.3601 -34.3600 -34.3600 -15.6324 -15.6324 -15.6272 -15.6272 -15.2775 -15.2775 -15.2706 -15.2706 -15.2147 -15.2147 -15.2144 -15.2144 -4.5253 -4.5253 -4.2214 -4.2214 0.6221 0.6221 2.1098 2.1098 4.8416 4.8416 5.9980 5.9980 6.1481 6.1481 6.4049 6.4049 6.5871 6.5871 7.2504 7.2504 7.7100 7.7100 8.2901 8.2901 8.3581 8.3581 8.5652 8.5652 k = 0.0000 0.0000 0.0248 ( 5141 PWs) bands (ev): -34.3602 -34.3602 -34.3600 -34.3600 -15.6323 -15.6323 -15.6272 -15.6272 -15.2774 -15.2774 -15.2707 -15.2707 -15.2147 -15.2147 -15.2144 -15.2144 -4.5233 -4.5233 -4.2238 -4.2238 0.6303 0.6303 2.0930 2.0930 4.8637 4.8637 6.0003 6.0003 6.1504 6.1504 6.4004 6.4004 6.5823 6.5823 7.2430 7.2430 7.7092 7.7092 8.2976 8.2976 8.3680 8.3680 8.4485 8.4485 k = 0.0000 0.0000 0.0372 ( 5159 PWs) bands (ev): -34.3602 -34.3602 -34.3601 -34.3601 -15.6323 -15.6323 -15.6273 -15.6273 -15.2774 -15.2774 -15.2708 -15.2708 -15.2148 -15.2148 -15.2144 -15.2144 -4.5200 -4.5200 -4.2279 -4.2279 0.6439 0.6439 2.0656 2.0656 4.8998 4.8998 6.0041 6.0041 6.1542 6.1542 6.3932 6.3932 6.5746 6.5746 7.2298 7.2298 7.7079 7.7079 8.2958 8.2958 8.3473 8.3473 8.3845 8.3845 k = 0.0000 0.0000 0.0497 ( 5153 PWs) bands (ev): -34.3602 -34.3602 -34.3601 -34.3601 -15.6322 -15.6322 -15.6274 -15.6274 -15.2773 -15.2773 -15.2709 -15.2709 -15.2147 -15.2147 -15.2144 -15.2144 -4.5154 -4.5154 -4.2335 -4.2335 0.6629 0.6629 2.0287 2.0287 4.9490 4.9490 6.0094 6.0094 6.1595 6.1595 6.3833 6.3833 6.5639 6.5639 7.2097 7.2097 7.7061 7.7061 8.2070 8.2070 8.3441 8.3441 8.4071 8.4071 k = 0.0000 0.0000 0.0621 ( 5141 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6321 -15.6321 -15.6275 -15.6275 -15.2771 -15.2771 -15.2710 -15.2710 -15.2147 -15.2147 -15.2144 -15.2144 -4.5096 -4.5096 -4.2406 -4.2406 0.6871 0.6871 1.9833 1.9833 5.0103 5.0103 6.0162 6.0162 6.1663 6.1663 6.3709 6.3709 6.5508 6.5508 7.1810 7.1810 7.7038 7.7038 8.1037 8.1037 8.3687 8.3687 8.4357 8.4357 k = 0.0000 0.0000 0.0745 ( 5153 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6320 -15.6320 -15.6276 -15.6276 -15.2770 -15.2770 -15.2712 -15.2712 -15.2147 -15.2147 -15.2144 -15.2144 -4.5026 -4.5026 -4.2491 -4.2491 0.7163 0.7163 1.9306 1.9306 5.0822 5.0822 6.0245 6.0245 6.1746 6.1746 6.3564 6.3564 6.5354 6.5354 7.1416 7.1416 7.7012 7.7012 8.0092 8.0092 8.4001 8.4001 8.4697 8.4697 k = 0.0000 0.0000 0.0869 ( 5147 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6319 -15.6319 -15.6278 -15.6278 -15.2768 -15.2768 -15.2714 -15.2714 -15.2147 -15.2147 -15.2144 -15.2144 -4.4944 -4.4944 -4.2589 -4.2589 0.7505 0.7505 1.8720 1.8720 5.1635 5.1635 6.0343 6.0343 6.1843 6.1843 6.3400 6.3400 6.5181 6.5181 7.0898 7.0898 7.6982 7.6982 7.9269 7.9269 8.4368 8.4368 8.5088 8.5088 k = 0.0000 0.0000 0.0993 ( 5130 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6317 -15.6317 -15.6279 -15.6279 -15.2765 -15.2765 -15.2716 -15.2716 -15.2146 -15.2146 -15.2144 -15.2144 -4.4851 -4.4851 -4.2698 -4.2698 0.7895 0.7895 1.8085 1.8085 5.2531 5.2531 6.0455 6.0455 6.1954 6.1954 6.3219 6.3219 6.4992 6.4992 7.0242 7.0242 7.6950 7.6950 7.8586 7.8586 8.4781 8.4781 8.5524 8.5524 k = 0.0000 0.0000 0.1117 ( 5124 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6314 -15.6314 -15.6281 -15.6281 -15.2763 -15.2763 -15.2718 -15.2718 -15.2146 -15.2146 -15.2144 -15.2144 -4.4748 -4.4748 -4.2817 -4.2817 0.8330 0.8330 1.7414 1.7414 5.3496 5.3496 6.0582 6.0582 6.2079 6.2079 6.3025 6.3025 6.4792 6.4792 6.9451 6.9451 7.6916 7.6916 7.8045 7.8045 8.5233 8.5233 8.6001 8.6001 k = 0.0000 0.0000 0.1241 ( 5112 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6312 -15.6312 -15.6282 -15.6282 -15.2760 -15.2760 -15.2721 -15.2721 -15.2146 -15.2146 -15.2144 -15.2144 -4.4636 -4.4636 -4.2945 -4.2945 0.8809 0.8809 1.6717 1.6717 5.4520 5.4520 6.0725 6.0725 6.2218 6.2218 6.2819 6.2819 6.4582 6.4582 6.8540 6.8540 7.6882 7.6882 7.7634 7.7634 8.5719 8.5719 8.6512 8.6512 k = 0.0000 0.0000 0.1366 ( 5112 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6310 -15.6310 -15.6285 -15.6285 -15.2757 -15.2757 -15.2724 -15.2724 -15.2146 -15.2146 -15.2144 -15.2144 -4.4514 -4.4514 -4.3081 -4.3081 0.9328 0.9328 1.6002 1.6002 5.5591 5.5591 6.0883 6.0883 6.2368 6.2368 6.2603 6.2603 6.4366 6.4366 6.7531 6.7531 7.6849 7.6849 7.7332 7.7332 8.6233 8.6233 8.7053 8.7053 k = 0.0000 0.0000 0.1490 ( 5112 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6308 -15.6308 -15.6287 -15.6287 -15.2754 -15.2754 -15.2727 -15.2727 -15.2145 -15.2145 -15.2144 -15.2144 -4.4386 -4.4386 -4.3222 -4.3222 0.9884 0.9884 1.5279 1.5279 5.6698 5.6698 6.1059 6.1059 6.2376 6.2376 6.2531 6.2531 6.4147 6.4147 6.6454 6.6454 7.6819 7.6819 7.7117 7.7117 8.6770 8.6770 8.7615 8.7615 k = 0.0000 0.0000 0.1614 ( 5112 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6305 -15.6305 -15.6289 -15.6289 -15.2751 -15.2751 -15.2730 -15.2730 -15.2145 -15.2145 -15.2144 -15.2144 -4.4250 -4.4250 -4.3368 -4.3368 1.0476 1.0476 1.4553 1.4553 5.7827 5.7827 6.1257 6.1257 6.2134 6.2134 6.2706 6.2706 6.3928 6.3928 6.5336 6.5336 7.6795 7.6795 7.6970 7.6970 8.7322 8.7322 8.8193 8.8193 k = 0.0000 0.0000 0.1738 ( 5112 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6303 -15.6303 -15.6292 -15.6292 -15.2747 -15.2747 -15.2733 -15.2733 -15.2145 -15.2145 -15.2144 -15.2144 -4.4109 -4.4109 -4.3516 -4.3516 1.1099 1.1099 1.3832 1.3832 5.8958 5.8958 6.1490 6.1490 6.1864 6.1864 6.2890 6.2890 6.3710 6.3710 6.4212 6.4212 7.6778 7.6778 7.6873 7.6873 8.7881 8.7881 8.8778 8.8778 k = 0.0000 0.0000 0.1862 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6300 -15.6300 -15.6295 -15.6295 -15.2744 -15.2744 -15.2737 -15.2737 -15.2145 -15.2145 -15.2145 -15.2145 -4.3964 -4.3964 -4.3666 -4.3666 1.1750 1.1750 1.3121 1.3121 6.0042 6.0042 6.1516 6.1516 6.1796 6.1796 6.3084 6.3084 6.3147 6.3147 6.3496 6.3496 7.6773 7.6773 7.6814 7.6814 8.8438 8.8438 8.9361 8.9361 k = 0.0000 0.0000 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6297 -15.6297 -15.6297 -15.6297 -15.2740 -15.2740 -15.2740 -15.2740 -15.2145 -15.2145 -15.2145 -15.2145 -4.3816 -4.3816 -4.3816 -4.3816 1.2426 1.2426 1.2426 1.2426 6.0948 6.0948 6.0948 6.0948 6.2299 6.2299 6.2299 6.2299 6.3287 6.3287 6.3287 6.3287 7.6783 7.6783 7.6783 7.6783 8.8984 8.8984 8.8984 8.8984 k = 0.0000 0.0000 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6297 -15.6297 -15.6297 -15.6297 -15.2740 -15.2740 -15.2740 -15.2740 -15.2145 -15.2145 -15.2145 -15.2145 -4.3816 -4.3816 -4.3816 -4.3816 1.2426 1.2426 1.2426 1.2426 6.0948 6.0948 6.0948 6.0948 6.2299 6.2299 6.2299 6.2299 6.3287 6.3287 6.3287 6.3287 7.6783 7.6783 7.6783 7.6783 8.8984 8.8984 8.8984 8.8984 k = 0.0111 0.0064 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6298 -15.6298 -15.6297 -15.6297 -15.2741 -15.2741 -15.2740 -15.2740 -15.2145 -15.2145 -15.2145 -15.2145 -4.3803 -4.3803 -4.3803 -4.3803 1.2429 1.2429 1.2430 1.2430 6.0479 6.0479 6.0668 6.0668 6.2217 6.2217 6.2412 6.2412 6.3454 6.3454 6.3484 6.3484 7.6870 7.6870 7.6908 7.6908 8.8987 8.8987 8.8990 8.8990 k = 0.0222 0.0128 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6300 -15.6300 -15.6297 -15.6297 -15.2743 -15.2743 -15.2739 -15.2739 -15.2148 -15.2148 -15.2147 -15.2147 -4.3763 -4.3763 -4.3763 -4.3763 1.2439 1.2439 1.2441 1.2441 5.9606 5.9606 5.9814 5.9814 6.2184 6.2184 6.2361 6.2361 6.3805 6.3805 6.3906 6.3906 7.7160 7.7160 7.7231 7.7231 8.8998 8.8998 8.9005 8.9005 k = 0.0333 0.0192 0.1986 ( 5120 PWs) bands (ev): -34.3600 -34.3600 -34.3600 -34.3600 -15.6302 -15.6302 -15.6298 -15.6298 -15.2745 -15.2745 -15.2740 -15.2740 -15.2151 -15.2151 -15.2151 -15.2151 -4.3698 -4.3698 -4.3697 -4.3697 1.2456 1.2456 1.2458 1.2458 5.8525 5.8525 5.8713 5.8713 6.2079 6.2079 6.2212 6.2212 6.4169 6.4169 6.4316 6.4316 7.7615 7.7615 7.7711 7.7711 8.9016 8.9016 8.9028 8.9028 k = 0.0444 0.0257 0.1986 ( 5122 PWs) bands (ev): -34.3600 -34.3600 -34.3600 -34.3600 -15.6304 -15.6304 -15.6299 -15.6299 -15.2747 -15.2747 -15.2740 -15.2740 -15.2156 -15.2156 -15.2156 -15.2156 -4.3605 -4.3605 -4.3604 -4.3604 1.2479 1.2479 1.2482 1.2482 5.7314 5.7314 5.7477 5.7477 6.1899 6.1899 6.2000 6.2000 6.4476 6.4476 6.4647 6.4647 7.8182 7.8182 7.8293 7.8293 8.9042 8.9042 8.9061 8.9061 k = 0.0556 0.0321 0.1986 ( 5120 PWs) bands (ev): -34.3599 -34.3599 -34.3599 -34.3599 -15.6307 -15.6307 -15.6300 -15.6300 -15.2749 -15.2749 -15.2741 -15.2741 -15.2162 -15.2162 -15.2162 -15.2162 -4.3487 -4.3487 -4.3486 -4.3486 1.2507 1.2507 1.2510 1.2510 5.6012 5.6012 5.6152 5.6152 6.1658 6.1658 6.1735 6.1735 6.4714 6.4714 6.4895 6.4895 7.8797 7.8797 7.8915 7.8915 8.9085 8.9085 8.9113 8.9113 k = 0.0667 0.0385 0.1986 ( 5124 PWs) bands (ev): -34.3598 -34.3598 -34.3598 -34.3598 -15.6310 -15.6310 -15.6302 -15.6302 -15.2752 -15.2752 -15.2743 -15.2743 -15.2170 -15.2170 -15.2169 -15.2169 -4.3342 -4.3342 -4.3341 -4.3341 1.2537 1.2537 1.2541 1.2541 5.4649 5.4649 5.4769 5.4769 6.1362 6.1362 6.1422 6.1422 6.4886 6.4886 6.5068 6.5068 7.9397 7.9397 7.9514 7.9514 8.9159 8.9159 8.9198 8.9198 k = 0.0778 0.0449 0.1986 ( 5132 PWs) bands (ev): -34.3597 -34.3597 -34.3597 -34.3597 -15.6314 -15.6314 -15.6305 -15.6305 -15.2755 -15.2755 -15.2744 -15.2744 -15.2179 -15.2179 -15.2178 -15.2178 -4.3171 -4.3171 -4.3169 -4.3169 1.2569 1.2569 1.2574 1.2574 5.3245 5.3245 5.3348 5.3348 6.1020 6.1020 6.1068 6.1068 6.5002 6.5002 6.5180 6.5180 7.9924 7.9924 8.0033 8.0033 8.9280 8.9280 8.9333 8.9333 k = 0.0889 0.0513 0.1986 ( 5128 PWs) bands (ev): -34.3596 -34.3596 -34.3596 -34.3596 -15.6319 -15.6319 -15.6308 -15.6308 -15.2759 -15.2759 -15.2746 -15.2746 -15.2188 -15.2188 -15.2188 -15.2188 -4.2974 -4.2974 -4.2972 -4.2972 1.2600 1.2600 1.2605 1.2605 5.1817 5.1817 5.1907 5.1907 6.0637 6.0637 6.0676 6.0676 6.5069 6.5069 6.5239 6.5239 8.0334 8.0334 8.0431 8.0431 8.9455 8.9455 8.9521 8.9521 k = 0.1000 0.0577 0.1986 ( 5126 PWs) bands (ev): -34.3595 -34.3595 -34.3595 -34.3595 -15.6323 -15.6323 -15.6311 -15.6311 -15.2762 -15.2762 -15.2749 -15.2749 -15.2199 -15.2199 -15.2198 -15.2198 -4.2751 -4.2751 -4.2749 -4.2749 1.2627 1.2627 1.2633 1.2633 5.0381 5.0381 5.0459 5.0459 6.0220 6.0220 6.0251 6.0251 6.5092 6.5092 6.5254 6.5254 8.0605 8.0605 8.0688 8.0688 8.9672 8.9672 8.9750 8.9750 k = 0.1111 0.0642 0.1986 ( 5130 PWs) bands (ev): -34.3593 -34.3593 -34.3593 -34.3593 -15.6329 -15.6329 -15.6315 -15.6315 -15.2767 -15.2767 -15.2751 -15.2751 -15.2211 -15.2211 -15.2210 -15.2210 -4.2502 -4.2502 -4.2500 -4.2500 1.2646 1.2646 1.2653 1.2653 4.8948 4.8948 4.9017 4.9017 5.9773 5.9773 5.9800 5.9800 6.5076 6.5076 6.5228 6.5228 8.0737 8.0737 8.0806 8.0806 8.9905 8.9905 8.9992 8.9992 k = 0.1222 0.0706 0.1986 ( 5134 PWs) bands (ev): -34.3592 -34.3592 -34.3592 -34.3592 -15.6334 -15.6334 -15.6320 -15.6320 -15.2771 -15.2771 -15.2755 -15.2755 -15.2224 -15.2224 -15.2223 -15.2223 -4.2227 -4.2227 -4.2225 -4.2225 1.2654 1.2654 1.2662 1.2662 4.7530 4.7530 4.7591 4.7591 5.9303 5.9303 5.9325 5.9325 6.5023 6.5023 6.5165 6.5165 8.0747 8.0747 8.0803 8.0803 9.0117 9.0117 9.0207 9.0207 k = 0.1333 0.0770 0.1986 ( 5130 PWs) bands (ev): -34.3590 -34.3590 -34.3590 -34.3590 -15.6340 -15.6340 -15.6325 -15.6325 -15.2776 -15.2776 -15.2758 -15.2758 -15.2237 -15.2237 -15.2236 -15.2236 -4.1927 -4.1927 -4.1924 -4.1924 1.2647 1.2647 1.2655 1.2655 4.6137 4.6137 4.6192 4.6192 5.8814 5.8814 5.8833 5.8833 6.4932 6.4932 6.5064 6.5064 8.0662 8.0662 8.0706 8.0706 9.0276 9.0276 9.0364 9.0364 k = 0.1444 0.0834 0.1986 ( 5124 PWs) bands (ev): -34.3589 -34.3589 -34.3589 -34.3589 -15.6346 -15.6346 -15.6330 -15.6330 -15.2781 -15.2781 -15.2762 -15.2762 -15.2251 -15.2251 -15.2249 -15.2249 -4.1601 -4.1601 -4.1599 -4.1599 1.2618 1.2618 1.2626 1.2626 4.4780 4.4780 4.4829 4.4829 5.8311 5.8311 5.8327 5.8327 6.4806 6.4806 6.4927 6.4927 8.0508 8.0508 8.0542 8.0542 9.0361 9.0361 9.0442 9.0442 k = 0.1556 0.0898 0.1986 ( 5124 PWs) bands (ev): -34.3587 -34.3587 -34.3587 -34.3587 -15.6353 -15.6353 -15.6336 -15.6336 -15.2787 -15.2787 -15.2766 -15.2766 -15.2266 -15.2266 -15.2264 -15.2264 -4.1250 -4.1250 -4.1247 -4.1247 1.2562 1.2562 1.2571 1.2571 4.3468 4.3468 4.3512 4.3512 5.7797 5.7797 5.7811 5.7811 6.4642 6.4642 6.4754 6.4754 8.0309 8.0309 8.0336 8.0336 9.0366 9.0366 9.0437 9.0437 k = 0.1667 0.0962 0.1986 ( 5116 PWs) bands (ev): -34.3585 -34.3585 -34.3585 -34.3585 -15.6360 -15.6360 -15.6342 -15.6342 -15.2793 -15.2793 -15.2771 -15.2771 -15.2281 -15.2281 -15.2278 -15.2278 -4.0874 -4.0874 -4.0871 -4.0871 1.2472 1.2472 1.2481 1.2481 4.2211 4.2211 4.2251 4.2251 5.7277 5.7277 5.7289 5.7289 6.4440 6.4440 6.4542 6.4542 8.0086 8.0086 8.0105 8.0105 9.0296 9.0296 9.0359 9.0359 k = 0.1778 0.1026 0.1986 ( 5116 PWs) bands (ev): -34.3583 -34.3583 -34.3583 -34.3583 -15.6368 -15.6368 -15.6349 -15.6349 -15.2800 -15.2800 -15.2776 -15.2776 -15.2297 -15.2297 -15.2294 -15.2294 -4.0474 -4.0474 -4.0471 -4.0471 1.2341 1.2341 1.2351 1.2351 4.1018 4.1018 4.1055 4.1055 5.6753 5.6753 5.6764 5.6764 6.4200 6.4200 6.4293 6.4293 7.9852 7.9852 7.9865 7.9865 9.0165 9.0165 9.0220 9.0220 k = 0.1889 0.1091 0.1986 ( 5112 PWs) bands (ev): -34.3581 -34.3581 -34.3581 -34.3581 -15.6375 -15.6375 -15.6356 -15.6356 -15.2806 -15.2806 -15.2782 -15.2782 -15.2312 -15.2312 -15.2309 -15.2309 -4.0048 -4.0048 -4.0045 -4.0045 1.2161 1.2161 1.2172 1.2172 3.9900 3.9900 3.9934 3.9934 5.6230 5.6230 5.6238 5.6238 6.3922 6.3922 6.4006 6.4006 7.9619 7.9619 7.9627 7.9627 8.9985 8.9985 9.0034 9.0034 k = 0.2000 0.1155 0.1986 ( 5116 PWs) bands (ev): -34.3579 -34.3579 -34.3579 -34.3579 -15.6383 -15.6383 -15.6364 -15.6364 -15.2814 -15.2814 -15.2788 -15.2788 -15.2328 -15.2328 -15.2324 -15.2324 -3.9599 -3.9599 -3.9596 -3.9596 1.1926 1.1926 1.1937 1.1937 3.8866 3.8866 3.8897 3.8897 5.5708 5.5708 5.5716 5.5716 6.3606 6.3606 6.3681 6.3681 7.9394 7.9394 7.9397 7.9397 8.9768 8.9768 8.9812 8.9812 k = 0.2111 0.1219 0.1986 ( 5120 PWs) bands (ev): -34.3577 -34.3577 -34.3577 -34.3577 -15.6392 -15.6392 -15.6372 -15.6372 -15.2822 -15.2822 -15.2795 -15.2795 -15.2344 -15.2344 -15.2339 -15.2339 -3.9126 -3.9126 -3.9123 -3.9123 1.1626 1.1627 1.1638 1.1638 3.7924 3.7924 3.7953 3.7953 5.5192 5.5192 5.5199 5.5199 6.3254 6.3254 6.3320 6.3320 7.9181 7.9181 7.9182 7.9182 8.9525 8.9525 8.9563 8.9563 k = 0.2222 0.1283 0.1986 ( 5118 PWs) bands (ev): -34.3574 -34.3574 -34.3574 -34.3574 -15.6400 -15.6400 -15.6380 -15.6380 -15.2829 -15.2829 -15.2802 -15.2802 -15.2360 -15.2360 -15.2355 -15.2355 -3.8630 -3.8630 -3.8627 -3.8627 1.1258 1.1258 1.1269 1.1269 3.7083 3.7083 3.7110 3.7110 5.4682 5.4682 5.4689 5.4689 6.2866 6.2866 6.2924 6.2924 7.8980 7.8980 7.8985 7.8985 8.9263 8.9263 8.9297 8.9297 k = 0.2333 0.1347 0.1986 ( 5118 PWs) bands (ev): -34.3572 -34.3572 -34.3572 -34.3572 -15.6409 -15.6409 -15.6388 -15.6388 -15.2838 -15.2838 -15.2809 -15.2809 -15.2375 -15.2375 -15.2369 -15.2369 -3.8111 -3.8111 -3.8107 -3.8107 1.0814 1.0814 1.0826 1.0826 3.6347 3.6347 3.6373 3.6373 5.4182 5.4182 5.4188 5.4188 6.2445 6.2445 6.2496 6.2496 7.8795 7.8795 7.8804 7.8804 8.8988 8.8988 8.9018 8.9018 k = 0.2444 0.1411 0.1986 ( 5112 PWs) bands (ev): -34.3570 -34.3570 -34.3570 -34.3570 -15.6418 -15.6418 -15.6397 -15.6397 -15.2846 -15.2846 -15.2817 -15.2817 -15.2390 -15.2390 -15.2384 -15.2384 -3.7569 -3.7569 -3.7566 -3.7566 1.0294 1.0294 1.0305 1.0305 3.5722 3.5722 3.5745 3.5745 5.3692 5.3692 5.3698 5.3698 6.1994 6.1994 6.2039 6.2039 7.8626 7.8626 7.8637 7.8637 8.8705 8.8705 8.8731 8.8731 k = 0.2556 0.1475 0.1986 ( 5118 PWs) bands (ev): -34.3568 -34.3568 -34.3568 -34.3568 -15.6427 -15.6427 -15.6406 -15.6406 -15.2855 -15.2855 -15.2826 -15.2826 -15.2404 -15.2404 -15.2398 -15.2398 -3.7005 -3.7005 -3.7002 -3.7002 0.9695 0.9695 0.9706 0.9706 3.5208 3.5208 3.5230 3.5230 5.3215 5.3215 5.3220 5.3220 6.1515 6.1515 6.1554 6.1554 7.8470 7.8470 7.8484 7.8484 8.8417 8.8417 8.8439 8.8439 k = 0.2667 0.1540 0.1986 ( 5114 PWs) bands (ev): -34.3565 -34.3565 -34.3565 -34.3565 -15.6436 -15.6436 -15.6415 -15.6415 -15.2864 -15.2864 -15.2835 -15.2835 -15.2418 -15.2418 -15.2411 -15.2411 -3.6421 -3.6421 -3.6418 -3.6418 0.9020 0.9020 0.9030 0.9030 3.4804 3.4804 3.4824 3.4824 5.2752 5.2752 5.2757 5.2757 6.1013 6.1013 6.1047 6.1047 7.8325 7.8325 7.8340 7.8340 8.8127 8.8127 8.8145 8.8145 k = 0.2778 0.1604 0.1986 ( 5118 PWs) bands (ev): -34.3563 -34.3563 -34.3563 -34.3563 -15.6445 -15.6445 -15.6424 -15.6424 -15.2873 -15.2873 -15.2844 -15.2844 -15.2431 -15.2431 -15.2424 -15.2424 -3.5816 -3.5816 -3.5813 -3.5813 0.8273 0.8273 0.8283 0.8283 3.4505 3.4505 3.4524 3.4524 5.2304 5.2304 5.2308 5.2308 6.0489 6.0489 6.0518 6.0518 7.8188 7.8188 7.8205 7.8205 8.7837 8.7837 8.7852 8.7852 k = 0.2889 0.1668 0.1986 ( 5118 PWs) bands (ev): -34.3561 -34.3561 -34.3561 -34.3561 -15.6454 -15.6454 -15.6434 -15.6434 -15.2883 -15.2883 -15.2854 -15.2854 -15.2444 -15.2444 -15.2437 -15.2437 -3.5192 -3.5192 -3.5188 -3.5188 0.7460 0.7460 0.7470 0.7470 3.4307 3.4307 3.4324 3.4324 5.1872 5.1872 5.1876 5.1876 5.9949 5.9949 5.9974 5.9974 7.8058 7.8058 7.8075 7.8075 8.7548 8.7548 8.7560 8.7560 k = 0.3000 0.1732 0.1986 ( 5116 PWs) bands (ev): -34.3559 -34.3559 -34.3559 -34.3559 -15.6463 -15.6463 -15.6443 -15.6443 -15.2892 -15.2892 -15.2863 -15.2863 -15.2456 -15.2456 -15.2448 -15.2448 -3.4549 -3.4549 -3.4546 -3.4546 0.6590 0.6590 0.6599 0.6599 3.4201 3.4201 3.4217 3.4217 5.1457 5.1457 5.1461 5.1461 5.9394 5.9394 5.9415 5.9415 7.7930 7.7930 7.7947 7.7947 8.7263 8.7263 8.7271 8.7271 k = 0.3111 0.1796 0.1986 ( 5116 PWs) bands (ev): -34.3557 -34.3557 -34.3557 -34.3557 -15.6471 -15.6471 -15.6452 -15.6452 -15.2902 -15.2902 -15.2874 -15.2874 -15.2466 -15.2466 -15.2459 -15.2459 -3.3890 -3.3890 -3.3886 -3.3886 0.5670 0.5670 0.5678 0.5678 3.4180 3.4180 3.4193 3.4193 5.1060 5.1060 5.1064 5.1064 5.8829 5.8829 5.8847 5.8847 7.7803 7.7803 7.7820 7.7820 8.6982 8.6982 8.6987 8.6987 k = 0.3222 0.1860 0.1986 ( 5124 PWs) bands (ev): -34.3555 -34.3555 -34.3555 -34.3555 -15.6480 -15.6480 -15.6461 -15.6461 -15.2912 -15.2912 -15.2884 -15.2884 -15.2477 -15.2477 -15.2469 -15.2469 -3.3215 -3.3215 -3.3211 -3.3211 0.4711 0.4711 0.4718 0.4718 3.4233 3.4233 3.4245 3.4245 5.0683 5.0683 5.0686 5.0686 5.8256 5.8256 5.8272 5.8272 7.7675 7.7675 7.7692 7.7692 8.6707 8.6707 8.6709 8.6709 k = 0.3333 0.1925 0.1986 ( 5112 PWs) bands (ev): -34.3553 -34.3553 -34.3553 -34.3553 -15.6488 -15.6488 -15.6470 -15.6470 -15.2921 -15.2921 -15.2894 -15.2894 -15.2486 -15.2486 -15.2479 -15.2479 -3.2526 -3.2526 -3.2523 -3.2523 0.3721 0.3721 0.3728 0.3728 3.4351 3.4351 3.4362 3.4362 5.0324 5.0324 5.0327 5.0327 5.7680 5.7680 5.7693 5.7693 7.7546 7.7546 7.7562 7.7562 8.6438 8.6438 8.6439 8.6439 k = 0.3444 0.1989 0.1986 ( 5124 PWs) bands (ev): -34.3551 -34.3551 -34.3551 -34.3551 -15.6497 -15.6497 -15.6479 -15.6479 -15.2930 -15.2930 -15.2904 -15.2904 -15.2495 -15.2495 -15.2488 -15.2488 -3.1826 -3.1826 -3.1822 -3.1822 0.2710 0.2710 0.2717 0.2717 3.4526 3.4526 3.4536 3.4536 4.9986 4.9986 4.9989 4.9989 5.7103 5.7103 5.7113 5.7113 7.7415 7.7415 7.7430 7.7430 8.6176 8.6176 8.6178 8.6178 k = 0.3556 0.2053 0.1986 ( 5126 PWs) bands (ev): -34.3549 -34.3549 -34.3549 -34.3549 -15.6504 -15.6504 -15.6488 -15.6488 -15.2939 -15.2939 -15.2914 -15.2914 -15.2503 -15.2503 -15.2496 -15.2496 -3.1116 -3.1116 -3.1113 -3.1113 0.1688 0.1688 0.1694 0.1694 3.4748 3.4748 3.4757 3.4757 4.9669 4.9669 4.9671 4.9671 5.6529 5.6529 5.6537 5.6537 7.7281 7.7281 7.7296 7.7296 8.5924 8.5924 8.5928 8.5928 k = 0.3667 0.2117 0.1986 ( 5122 PWs) bands (ev): -34.3547 -34.3547 -34.3547 -34.3547 -15.6512 -15.6512 -15.6496 -15.6496 -15.2947 -15.2947 -15.2924 -15.2924 -15.2509 -15.2509 -15.2503 -15.2503 -3.0401 -3.0401 -3.0398 -3.0398 0.0663 0.0663 0.0668 0.0668 3.5008 3.5008 3.5016 3.5016 4.9373 4.9373 4.9375 4.9375 5.5961 5.5961 5.5968 5.5968 7.7147 7.7147 7.7161 7.7161 8.5683 8.5683 8.5688 8.5688 k = 0.3778 0.2181 0.1986 ( 5126 PWs) bands (ev): -34.3546 -34.3546 -34.3546 -34.3546 -15.6519 -15.6519 -15.6504 -15.6504 -15.2955 -15.2955 -15.2934 -15.2934 -15.2516 -15.2516 -15.2510 -15.2510 -2.9684 -2.9684 -2.9681 -2.9681 -0.0355 -0.0355 -0.0351 -0.0351 3.5298 3.5298 3.5305 3.5305 4.9098 4.9098 4.9100 4.9100 5.5404 5.5404 5.5410 5.5410 7.7013 7.7013 7.7025 7.7025 8.5455 8.5455 8.5461 8.5461 k = 0.3889 0.2245 0.1986 ( 5122 PWs) bands (ev): -34.3544 -34.3544 -34.3544 -34.3544 -15.6525 -15.6525 -15.6511 -15.6511 -15.2963 -15.2963 -15.2943 -15.2943 -15.2521 -15.2521 -15.2516 -15.2516 -2.8970 -2.8970 -2.8967 -2.8967 -0.1357 -0.1357 -0.1353 -0.1353 3.5609 3.5609 3.5616 3.5616 4.8846 4.8846 4.8848 4.8848 5.4862 5.4862 5.4867 5.4867 7.6880 7.6880 7.6891 7.6891 8.5242 8.5242 8.5249 8.5249 k = 0.4000 0.2309 0.1986 ( 5130 PWs) bands (ev): -34.3543 -34.3543 -34.3543 -34.3543 -15.6531 -15.6531 -15.6519 -15.6519 -15.2970 -15.2970 -15.2952 -15.2952 -15.2526 -15.2526 -15.2521 -15.2521 -2.8264 -2.8264 -2.8262 -2.8262 -0.2333 -0.2333 -0.2330 -0.2330 3.5934 3.5934 3.5939 3.5939 4.8615 4.8615 4.8617 4.8617 5.4340 5.4340 5.4344 5.4344 7.6751 7.6751 7.6761 7.6761 8.5045 8.5045 8.5052 8.5052 k = 0.4111 0.2374 0.1986 ( 5130 PWs) bands (ev): -34.3542 -34.3542 -34.3542 -34.3542 -15.6536 -15.6536 -15.6525 -15.6525 -15.2976 -15.2976 -15.2960 -15.2960 -15.2531 -15.2531 -15.2526 -15.2526 -2.7575 -2.7575 -2.7573 -2.7573 -0.3273 -0.3273 -0.3270 -0.3270 3.6262 3.6262 3.6267 3.6267 4.8408 4.8408 4.8410 4.8410 5.3843 5.3843 5.3846 5.3846 7.6628 7.6628 7.6637 7.6637 8.4865 8.4865 8.4873 8.4873 k = 0.4222 0.2438 0.1986 ( 5130 PWs) bands (ev): -34.3540 -34.3540 -34.3540 -34.3540 -15.6541 -15.6541 -15.6531 -15.6531 -15.2981 -15.2981 -15.2967 -15.2967 -15.2534 -15.2534 -15.2530 -15.2530 -2.6912 -2.6912 -2.6910 -2.6910 -0.4163 -0.4163 -0.4160 -0.4160 3.6585 3.6585 3.6590 3.6590 4.8223 4.8223 4.8225 4.8225 5.3378 5.3378 5.3380 5.3380 7.6513 7.6513 7.6521 7.6521 8.4704 8.4704 8.4711 8.4711 k = 0.4333 0.2502 0.1986 ( 5124 PWs) bands (ev): -34.3539 -34.3539 -34.3539 -34.3539 -15.6545 -15.6545 -15.6536 -15.6536 -15.2986 -15.2986 -15.2973 -15.2973 -15.2537 -15.2537 -15.2534 -15.2534 -2.6285 -2.6285 -2.6283 -2.6283 -0.4991 -0.4991 -0.4988 -0.4988 3.6894 3.6894 3.6898 3.6898 4.8062 4.8062 4.8064 4.8064 5.2952 5.2952 5.2953 5.2953 7.6408 7.6408 7.6414 7.6414 8.4563 8.4563 8.4570 8.4570 k = 0.4444 0.2566 0.1986 ( 5132 PWs) bands (ev): -34.3539 -34.3539 -34.3539 -34.3539 -15.6548 -15.6548 -15.6541 -15.6541 -15.2990 -15.2990 -15.2980 -15.2980 -15.2540 -15.2540 -15.2537 -15.2537 -2.5709 -2.5709 -2.5707 -2.5707 -0.5740 -0.5740 -0.5738 -0.5738 3.7180 3.7180 3.7183 3.7183 4.7924 4.7924 4.7926 4.7926 5.2571 5.2571 5.2573 5.2573 7.6315 7.6315 7.6321 7.6321 8.4442 8.4442 8.4448 8.4448 k = 0.4556 0.2630 0.1986 ( 5126 PWs) bands (ev): -34.3538 -34.3538 -34.3538 -34.3538 -15.6551 -15.6551 -15.6545 -15.6545 -15.2993 -15.2993 -15.2985 -15.2985 -15.2542 -15.2542 -15.2540 -15.2540 -2.5200 -2.5200 -2.5198 -2.5198 -0.6393 -0.6393 -0.6391 -0.6391 3.7431 3.7431 3.7433 3.7433 4.7811 4.7811 4.7812 4.7812 5.2245 5.2245 5.2246 5.2246 7.6237 7.6237 7.6241 7.6241 8.4343 8.4343 8.4348 8.4348 k = 0.4667 0.2694 0.1986 ( 5138 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6553 -15.6553 -15.6549 -15.6549 -15.2995 -15.2995 -15.2989 -15.2989 -15.2544 -15.2544 -15.2542 -15.2542 -2.4775 -2.4775 -2.4774 -2.4774 -0.6930 -0.6930 -0.6929 -0.6929 3.7639 3.7639 3.7641 3.7641 4.7721 4.7721 4.7722 4.7722 5.1981 5.1981 5.1981 5.1981 7.6174 7.6174 7.6177 7.6177 8.4265 8.4265 8.4269 8.4269 k = 0.4778 0.2758 0.1986 ( 5138 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6554 -15.6554 -15.6551 -15.6551 -15.2997 -15.2997 -15.2992 -15.2992 -15.2545 -15.2545 -15.2543 -15.2543 -2.4454 -2.4454 -2.4454 -2.4454 -0.7332 -0.7332 -0.7331 -0.7331 3.7795 3.7795 3.7796 3.7796 4.7657 4.7657 4.7658 4.7658 5.1786 5.1786 5.1786 5.1786 7.6128 7.6128 7.6130 7.6130 8.4209 8.4209 8.4212 8.4212 k = 0.4889 0.2823 0.1986 ( 5140 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6554 -15.6554 -15.6553 -15.6553 -15.2997 -15.2997 -15.2995 -15.2995 -15.2545 -15.2545 -15.2545 -15.2545 -2.4254 -2.4254 -2.4253 -2.4253 -0.7581 -0.7581 -0.7581 -0.7581 3.7892 3.7892 3.7893 3.7893 4.7618 4.7618 4.7619 4.7619 5.1666 5.1666 5.1667 5.1667 7.6101 7.6101 7.6102 7.6102 8.4176 8.4176 8.4177 8.4177 k = 0.5000 0.2887 0.1986 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6554 -15.6554 -15.6554 -15.6554 -15.2996 -15.2996 -15.2996 -15.2996 -15.2545 -15.2545 -15.2545 -15.2545 -2.4185 -2.4185 -2.4185 -2.4185 -0.7666 -0.7666 -0.7666 -0.7666 3.7925 3.7925 3.7925 3.7925 4.7606 4.7606 4.7606 4.7606 5.1626 5.1626 5.1626 5.1626 7.6092 7.6092 7.6092 7.6092 8.4165 8.4165 8.4165 8.4165 k = 0.5000 0.2887 0.1986 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6554 -15.6554 -15.6554 -15.6554 -15.2996 -15.2996 -15.2996 -15.2996 -15.2545 -15.2545 -15.2545 -15.2545 -2.4185 -2.4185 -2.4185 -2.4185 -0.7666 -0.7666 -0.7666 -0.7666 3.7925 3.7925 3.7925 3.7925 4.7606 4.7606 4.7606 4.7606 5.1626 5.1626 5.1626 5.1626 7.6092 7.6092 7.6092 7.6092 8.4165 8.4165 8.4165 8.4165 k = 0.4936 0.2998 0.1986 ( 5138 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6555 -15.6555 -15.6554 -15.6554 -15.2996 -15.2996 -15.2996 -15.2996 -15.2546 -15.2546 -15.2545 -15.2545 -2.4172 -2.4172 -2.4171 -2.4171 -0.7672 -0.7672 -0.7670 -0.7670 3.7906 3.7906 3.7919 3.7919 4.7507 4.7507 4.7553 4.7553 5.1600 5.1600 5.1657 5.1657 7.6189 7.6189 7.6228 7.6228 8.4157 8.4157 8.4184 8.4184 k = 0.4872 0.3109 0.1986 ( 5126 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6555 -15.6555 -15.6553 -15.6553 -15.2995 -15.2995 -15.2995 -15.2995 -15.2548 -15.2548 -15.2546 -15.2546 -2.4130 -2.4130 -2.4129 -2.4129 -0.7688 -0.7688 -0.7685 -0.7685 3.7859 3.7859 3.7885 3.7885 4.7268 4.7268 4.7353 4.7353 5.1581 5.1581 5.1686 5.1686 7.6512 7.6512 7.6590 7.6590 8.4159 8.4159 8.4215 8.4215 k = 0.4808 0.3220 0.1986 ( 5118 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6556 -15.6556 -15.6553 -15.6553 -15.2994 -15.2994 -15.2993 -15.2993 -15.2551 -15.2551 -15.2549 -15.2549 -2.4060 -2.4060 -2.4059 -2.4059 -0.7716 -0.7716 -0.7710 -0.7710 3.7781 3.7781 3.7820 3.7820 4.6913 4.6913 4.7025 4.7025 5.1571 5.1571 5.1710 5.1710 7.7036 7.7036 7.7155 7.7155 8.4177 8.4177 8.4264 8.4264 k = 0.4744 0.3331 0.1986 ( 5118 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6556 -15.6556 -15.6552 -15.6552 -15.2992 -15.2992 -15.2991 -15.2991 -15.2556 -15.2556 -15.2553 -15.2553 -2.3963 -2.3963 -2.3961 -2.3961 -0.7754 -0.7754 -0.7747 -0.7747 3.7663 3.7663 3.7715 3.7715 4.6474 4.6474 4.6602 4.6602 5.1569 5.1569 5.1727 5.1727 7.7722 7.7722 7.7882 7.7882 8.4221 8.4221 8.4345 8.4345 k = 0.4679 0.3442 0.1986 ( 5122 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6557 -15.6557 -15.6552 -15.6552 -15.2990 -15.2990 -15.2989 -15.2989 -15.2562 -15.2562 -15.2558 -15.2558 -2.3837 -2.3837 -2.3835 -2.3835 -0.7806 -0.7806 -0.7797 -0.7797 3.7495 3.7495 3.7559 3.7559 4.5988 4.5988 4.6123 4.6123 5.1570 5.1570 5.1736 5.1736 7.8513 7.8513 7.8718 7.8718 8.4313 8.4313 8.4480 8.4480 k = 0.4615 0.3553 0.1986 ( 5130 PWs) bands (ev): -34.3536 -34.3536 -34.3536 -34.3536 -15.6558 -15.6558 -15.6552 -15.6552 -15.2987 -15.2987 -15.2986 -15.2986 -15.2569 -15.2569 -15.2564 -15.2564 -2.3684 -2.3684 -2.3681 -2.3681 -0.7871 -0.7871 -0.7860 -0.7860 3.7264 3.7264 3.7339 3.7339 4.5495 4.5495 4.5631 4.5631 5.1573 5.1573 5.1737 5.1737 7.9332 7.9332 7.9583 7.9583 8.4498 8.4498 8.4714 8.4714 k = 0.4551 0.3664 0.1986 ( 5118 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6559 -15.6559 -15.6552 -15.6552 -15.2983 -15.2983 -15.2982 -15.2982 -15.2577 -15.2577 -15.2571 -15.2571 -2.3503 -2.3503 -2.3499 -2.3499 -0.7951 -0.7951 -0.7938 -0.7938 3.6960 3.6960 3.7042 3.7042 4.5033 4.5033 4.5164 4.5164 5.1573 5.1573 5.1731 5.1731 8.0076 8.0076 8.0366 8.0366 8.4847 8.4847 8.5109 8.5109 k = 0.4487 0.3775 0.1986 ( 5118 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6560 -15.6560 -15.6552 -15.6552 -15.2979 -15.2979 -15.2977 -15.2977 -15.2586 -15.2586 -15.2580 -15.2580 -2.3294 -2.3294 -2.3290 -2.3290 -0.8048 -0.8048 -0.8033 -0.8033 3.6571 3.6571 3.6658 3.6658 4.4632 4.4632 4.4758 4.4758 5.1568 5.1568 5.1717 5.1717 8.0644 8.0644 8.0948 8.0948 8.5445 8.5445 8.5730 8.5730 k = 0.4423 0.3886 0.1986 ( 5112 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6561 -15.6561 -15.6552 -15.6552 -15.2974 -15.2974 -15.2973 -15.2973 -15.2596 -15.2596 -15.2589 -15.2589 -2.3057 -2.3057 -2.3053 -2.3053 -0.8163 -0.8163 -0.8147 -0.8147 3.6096 3.6096 3.6185 3.6185 4.4317 4.4317 4.4433 4.4433 5.1557 5.1557 5.1695 5.1695 8.0983 8.0983 8.1270 8.1270 8.6307 8.6307 8.6589 8.6589 k = 0.4359 0.3997 0.1986 ( 5112 PWs) bands (ev): -34.3534 -34.3534 -34.3534 -34.3534 -15.6562 -15.6562 -15.6553 -15.6553 -15.2969 -15.2969 -15.2967 -15.2967 -15.2607 -15.2607 -15.2599 -15.2599 -2.2793 -2.2793 -2.2788 -2.2788 -0.8299 -0.8299 -0.8282 -0.8282 3.5542 3.5542 3.5629 3.5629 4.4096 4.4096 4.4202 4.4202 5.1536 5.1536 5.1663 5.1663 8.1112 8.1112 8.1367 8.1367 8.7349 8.7349 8.7617 8.7617 k = 0.4295 0.4108 0.1986 ( 5134 PWs) bands (ev): -34.3534 -34.3534 -34.3534 -34.3534 -15.6563 -15.6563 -15.6553 -15.6553 -15.2964 -15.2964 -15.2962 -15.2962 -15.2619 -15.2619 -15.2610 -15.2610 -2.2501 -2.2501 -2.2496 -2.2496 -0.8459 -0.8459 -0.8440 -0.8440 3.4923 3.4923 3.5005 3.5005 4.3970 4.3970 4.4065 4.4065 5.1504 5.1504 5.1621 5.1621 8.1084 8.1084 8.1306 8.1306 8.8439 8.8439 8.8694 8.8694 k = 0.4231 0.4219 0.1986 ( 5134 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6564 -15.6564 -15.6554 -15.6554 -15.2958 -15.2958 -15.2956 -15.2956 -15.2631 -15.2631 -15.2622 -15.2622 -2.2181 -2.2181 -2.2176 -2.2176 -0.8644 -0.8644 -0.8623 -0.8623 3.4258 3.4258 3.4334 3.4334 4.3931 4.3931 4.4014 4.4014 5.1459 5.1459 5.1565 5.1565 8.0945 8.0945 8.1142 8.1142 8.9442 8.9442 8.9683 8.9683 k = 0.4167 0.4330 0.1986 ( 5122 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6565 -15.6565 -15.6554 -15.6554 -15.2951 -15.2951 -15.2949 -15.2949 -15.2644 -15.2644 -15.2634 -15.2634 -2.1835 -2.1835 -2.1829 -2.1829 -0.8856 -0.8856 -0.8835 -0.8835 3.3568 3.3568 3.3637 3.3637 4.3967 4.3967 4.4040 4.4040 5.1398 5.1398 5.1494 5.1494 8.0730 8.0730 8.0909 8.0909 9.0246 9.0246 9.0466 9.0466 k = 0.4103 0.4441 0.1986 ( 5132 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6567 -15.6567 -15.6555 -15.6555 -15.2944 -15.2944 -15.2942 -15.2942 -15.2657 -15.2657 -15.2647 -15.2647 -2.1461 -2.1461 -2.1455 -2.1455 -0.9099 -0.9099 -0.9076 -0.9076 3.2872 3.2872 3.2935 3.2935 4.4068 4.4068 4.4132 4.4132 5.1318 5.1318 5.1406 5.1406 8.0464 8.0464 8.0630 8.0630 9.0819 9.0819 9.1005 9.1005 k = 0.4038 0.4552 0.1986 ( 5136 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6568 -15.6568 -15.6556 -15.6556 -15.2937 -15.2937 -15.2935 -15.2935 -15.2671 -15.2671 -15.2660 -15.2660 -2.1060 -2.1060 -2.1054 -2.1054 -0.9375 -0.9375 -0.9350 -0.9350 3.2189 3.2189 3.2245 3.2245 4.4222 4.4222 4.4281 4.4281 5.1218 5.1218 5.1298 5.1298 8.0164 8.0164 8.0323 8.0323 9.1207 9.1207 9.1362 9.1362 k = 0.3974 0.4663 0.1986 ( 5140 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6569 -15.6569 -15.6556 -15.6556 -15.2929 -15.2929 -15.2927 -15.2927 -15.2685 -15.2685 -15.2673 -15.2673 -2.0632 -2.0632 -2.0626 -2.0626 -0.9684 -0.9684 -0.9659 -0.9659 3.1532 3.1532 3.1582 3.1582 4.4423 4.4423 4.4478 4.4478 5.1095 5.1095 5.1168 5.1168 7.9847 7.9847 8.0001 8.0001 9.1480 9.1480 9.1615 9.1615 k = 0.3910 0.4774 0.1986 ( 5136 PWs) bands (ev): -34.3531 -34.3531 -34.3531 -34.3531 -15.6570 -15.6570 -15.6557 -15.6557 -15.2921 -15.2921 -15.2919 -15.2919 -15.2698 -15.2698 -15.2686 -15.2686 -2.0177 -2.0177 -2.0171 -2.0171 -1.0031 -1.0031 -1.0004 -1.0004 3.0913 3.0913 3.0958 3.0958 4.4662 4.4662 4.4717 4.4717 5.0946 5.0946 5.1013 5.1013 7.9525 7.9525 7.9677 7.9677 9.1689 9.1689 9.1813 9.1813 k = 0.3846 0.4885 0.1986 ( 5128 PWs) bands (ev): -34.3531 -34.3531 -34.3531 -34.3531 -15.6571 -15.6571 -15.6558 -15.6558 -15.2913 -15.2913 -15.2911 -15.2911 -15.2712 -15.2712 -15.2699 -15.2699 -1.9695 -1.9695 -1.9689 -1.9689 -1.0415 -1.0415 -1.0387 -1.0387 3.0343 3.0343 3.0383 3.0383 4.4934 4.4934 4.4993 4.4993 5.0769 5.0769 5.0832 5.0832 7.9209 7.9209 7.9361 7.9361 9.1863 9.1863 9.1981 9.1981 k = 0.3782 0.4996 0.1986 ( 5128 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6572 -15.6572 -15.6558 -15.6558 -15.2904 -15.2904 -15.2903 -15.2903 -15.2726 -15.2726 -15.2712 -15.2712 -1.9188 -1.9188 -1.9182 -1.9182 -1.0838 -1.0838 -1.0809 -1.0809 2.9829 2.9829 2.9864 2.9864 4.5236 4.5236 4.5300 4.5300 5.0563 5.0563 5.0622 5.0622 7.8909 7.8909 7.9061 7.9061 9.2015 9.2015 9.2131 9.2131 k = 0.3718 0.5107 0.1986 ( 5124 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6573 -15.6573 -15.6559 -15.6559 -15.2896 -15.2896 -15.2895 -15.2895 -15.2739 -15.2739 -15.2725 -15.2725 -1.8654 -1.8654 -1.8648 -1.8648 -1.1301 -1.1301 -1.1270 -1.1270 2.9377 2.9377 2.9407 2.9407 4.5561 4.5561 4.5635 4.5635 5.0326 5.0326 5.0382 5.0382 7.8634 7.8634 7.8787 7.8787 9.2149 9.2149 9.2265 9.2265 k = 0.3654 0.5218 0.1986 ( 5124 PWs) bands (ev): -34.3530 -34.3530 -34.3529 -34.3529 -15.6574 -15.6574 -15.6560 -15.6560 -15.2887 -15.2887 -15.2886 -15.2886 -15.2752 -15.2752 -15.2737 -15.2737 -1.8096 -1.8096 -1.8089 -1.8089 -1.1803 -1.1803 -1.1769 -1.1769 2.8990 2.8990 2.9017 2.9017 4.5908 4.5908 4.5993 4.5993 5.0056 5.0056 5.0112 5.0112 7.8390 7.8390 7.8544 7.8544 9.2267 9.2267 9.2383 9.2383 k = 0.3590 0.5329 0.1986 ( 5132 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6575 -15.6575 -15.6561 -15.6561 -15.2880 -15.2880 -15.2878 -15.2878 -15.2764 -15.2764 -15.2748 -15.2748 -1.7514 -1.7514 -1.7505 -1.7505 -1.2343 -1.2343 -1.2306 -1.2306 2.8673 2.8673 2.8696 2.8696 4.6271 4.6271 4.6373 4.6373 4.9755 4.9755 4.9814 4.9814 7.8183 7.8183 7.8338 7.8338 9.2367 9.2367 9.2484 9.2484 k = 0.3526 0.5440 0.1986 ( 5132 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6576 -15.6576 -15.6561 -15.6561 -15.2873 -15.2873 -15.2870 -15.2870 -15.2775 -15.2775 -15.2757 -15.2757 -1.6910 -1.6910 -1.6896 -1.6896 -1.2920 -1.2920 -1.2878 -1.2878 2.8426 2.8426 2.8446 2.8446 4.6643 4.6643 4.6768 4.6768 4.9422 4.9422 4.9493 4.9493 7.8017 7.8017 7.8174 7.8174 9.2448 9.2448 9.2565 9.2565 k = 0.3462 0.5551 0.1986 ( 5134 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6576 -15.6576 -15.6562 -15.6562 -15.2867 -15.2867 -15.2863 -15.2863 -15.2784 -15.2784 -15.2765 -15.2765 -1.6290 -1.6290 -1.6266 -1.6266 -1.3530 -1.3530 -1.3477 -1.3477 2.8251 2.8251 2.8268 2.8268 4.7009 4.7009 4.7173 4.7173 4.9063 4.9063 4.9164 4.9164 7.7897 7.7897 7.8055 7.8055 9.2507 9.2507 9.2624 9.2624 k = 0.3397 0.5662 0.1986 ( 5138 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6577 -15.6577 -15.6562 -15.6562 -15.2863 -15.2863 -15.2859 -15.2859 -15.2790 -15.2790 -15.2770 -15.2770 -1.5678 -1.5678 -1.5626 -1.5626 -1.4160 -1.4160 -1.4077 -1.4077 2.8146 2.8146 2.8162 2.8162 4.7328 4.7328 4.7562 4.7562 4.8701 4.8701 4.8866 4.8866 7.7824 7.7824 7.7982 7.7982 9.2543 9.2543 9.2660 9.2660 k = 0.3333 0.5774 0.1986 ( 5148 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6577 -15.6577 -15.6562 -15.6562 -15.2862 -15.2862 -15.2857 -15.2857 -15.2793 -15.2793 -15.2772 -15.2772 -1.5288 -1.5288 -1.5149 -1.5149 -1.4633 -1.4633 -1.4464 -1.4464 2.8112 2.8112 2.8127 2.8127 4.7478 4.7478 4.7789 4.7789 4.8483 4.8483 4.8723 4.8723 7.7800 7.7800 7.7958 7.7958 9.2555 9.2555 9.2672 9.2672 k = 0.3333 0.5774 0.1986 ( 5148 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6577 -15.6577 -15.6562 -15.6562 -15.2862 -15.2862 -15.2857 -15.2857 -15.2793 -15.2793 -15.2772 -15.2772 -1.5288 -1.5288 -1.5149 -1.5149 -1.4633 -1.4633 -1.4464 -1.4464 2.8112 2.8112 2.8127 2.8127 4.7478 4.7478 4.7789 4.7789 4.8483 4.8483 4.8723 4.8723 7.7800 7.7800 7.7958 7.7958 9.2555 9.2555 9.2672 9.2672 k = 0.3269 0.5662 0.1986 ( 5144 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6577 -15.6577 -15.6562 -15.6562 -15.2863 -15.2863 -15.2858 -15.2858 -15.2791 -15.2791 -15.2770 -15.2770 -1.5701 -1.5701 -1.5651 -1.5651 -1.4134 -1.4134 -1.4053 -1.4053 2.8146 2.8146 2.8162 2.8162 4.7315 4.7315 4.7544 4.7544 4.8718 4.8718 4.8880 4.8880 7.7824 7.7824 7.7982 7.7982 9.2543 9.2543 9.2660 9.2660 k = 0.3205 0.5551 0.1986 ( 5136 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6576 -15.6576 -15.6562 -15.6562 -15.2867 -15.2867 -15.2862 -15.2862 -15.2785 -15.2785 -15.2765 -15.2765 -1.6390 -1.6390 -1.6369 -1.6369 -1.3421 -1.3421 -1.3370 -1.3370 2.8246 2.8246 2.8264 2.8264 4.6937 4.6937 4.7092 4.7092 4.9145 4.9145 4.9240 4.9240 7.7897 7.7897 7.8054 7.8054 9.2508 9.2508 9.2625 9.2625 k = 0.3141 0.5440 0.1986 ( 5136 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6576 -15.6576 -15.6561 -15.6561 -15.2872 -15.2872 -15.2868 -15.2868 -15.2776 -15.2776 -15.2758 -15.2758 -1.7135 -1.7135 -1.7125 -1.7125 -1.2670 -1.2670 -1.2630 -1.2630 2.8410 2.8410 2.8431 2.8431 4.6466 4.6466 4.6581 4.6581 4.9615 4.9615 4.9683 4.9683 7.8017 7.8017 7.8174 7.8174 9.2451 9.2451 9.2568 9.2568 k = 0.3077 0.5329 0.1986 ( 5128 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6575 -15.6575 -15.6560 -15.6560 -15.2878 -15.2878 -15.2873 -15.2873 -15.2767 -15.2767 -15.2750 -15.2750 -1.7911 -1.7911 -1.7905 -1.7905 -1.1893 -1.1893 -1.1858 -1.1858 2.8636 2.8636 2.8660 2.8660 4.5947 4.5947 4.6039 4.6039 5.0103 5.0103 5.0165 5.0165 7.8182 7.8182 7.8338 7.8338 9.2374 9.2374 9.2490 9.2490 k = 0.3013 0.5218 0.1986 ( 5128 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6573 -15.6573 -15.6559 -15.6559 -15.2885 -15.2885 -15.2878 -15.2878 -15.2756 -15.2756 -15.2740 -15.2740 -1.8708 -1.8708 -1.8704 -1.8704 -1.1091 -1.1091 -1.1060 -1.1060 2.8920 2.8920 2.8949 2.8949 4.5399 4.5399 4.5475 4.5475 5.0604 5.0604 5.0670 5.0670 7.8390 7.8390 7.8545 7.8545 9.2278 9.2278 9.2394 9.2394 k = 0.2949 0.5107 0.1986 ( 5132 PWs) bands (ev): -34.3530 -34.3530 -34.3530 -34.3530 -15.6572 -15.6572 -15.6557 -15.6557 -15.2891 -15.2891 -15.2883 -15.2883 -15.2745 -15.2745 -15.2730 -15.2730 -1.9521 -1.9521 -1.9517 -1.9517 -1.0268 -1.0268 -1.0239 -1.0239 2.9260 2.9260 2.9294 2.9294 4.4831 4.4831 4.4897 4.4897 5.1117 5.1117 5.1188 5.1188 7.8638 7.8638 7.8792 7.8792 9.2166 9.2166 9.2282 9.2282 k = 0.2885 0.4996 0.1986 ( 5126 PWs) bands (ev): -34.3531 -34.3531 -34.3531 -34.3531 -15.6569 -15.6569 -15.6555 -15.6555 -15.2897 -15.2897 -15.2887 -15.2887 -15.2733 -15.2733 -15.2718 -15.2718 -2.0346 -2.0346 -2.0342 -2.0342 -0.9424 -0.9424 -0.9396 -0.9396 2.9652 2.9652 2.9692 2.9692 4.4249 4.4249 4.4308 4.4308 5.1640 5.1640 5.1718 5.1718 7.8923 7.8923 7.9076 7.9076 9.2039 9.2039 9.2156 9.2156 k = 0.2821 0.4885 0.1986 ( 5118 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6567 -15.6567 -15.6552 -15.6552 -15.2902 -15.2902 -15.2891 -15.2891 -15.2721 -15.2721 -15.2707 -15.2707 -2.1180 -2.1180 -2.1176 -2.1176 -0.8560 -0.8560 -0.8533 -0.8533 3.0092 3.0092 3.0139 3.0139 4.3658 4.3658 4.3714 4.3714 5.2171 5.2171 5.2256 5.2256 7.9241 7.9241 7.9393 7.9393 9.1899 9.1899 9.2017 9.2017 k = 0.2756 0.4774 0.1986 ( 5122 PWs) bands (ev): -34.3532 -34.3532 -34.3532 -34.3532 -15.6564 -15.6564 -15.6549 -15.6549 -15.2906 -15.2906 -15.2894 -15.2894 -15.2708 -15.2708 -15.2695 -15.2695 -2.2019 -2.2019 -2.2015 -2.2015 -0.7678 -0.7678 -0.7652 -0.7652 3.0578 3.0578 3.0634 3.0634 4.3064 4.3064 4.3121 4.3121 5.2709 5.2709 5.2801 5.2801 7.9588 7.9588 7.9739 7.9739 9.1747 9.1747 9.1867 9.1867 k = 0.2692 0.4663 0.1986 ( 5122 PWs) bands (ev): -34.3533 -34.3533 -34.3533 -34.3533 -15.6560 -15.6560 -15.6545 -15.6545 -15.2910 -15.2910 -15.2896 -15.2896 -15.2696 -15.2696 -15.2682 -15.2682 -2.2861 -2.2861 -2.2857 -2.2857 -0.6778 -0.6778 -0.6752 -0.6752 3.1105 3.1105 3.1171 3.1171 4.2471 4.2471 4.2534 4.2534 5.3252 5.3252 5.3351 5.3351 7.9961 7.9961 8.0110 8.0110 9.1584 9.1584 9.1708 9.1708 k = 0.2628 0.4552 0.1986 ( 5118 PWs) bands (ev): -34.3534 -34.3534 -34.3534 -34.3534 -15.6557 -15.6557 -15.6541 -15.6541 -15.2913 -15.2913 -15.2897 -15.2897 -15.2683 -15.2683 -15.2670 -15.2670 -2.3704 -2.3704 -2.3699 -2.3699 -0.5862 -0.5862 -0.5837 -0.5837 3.1668 3.1668 3.1746 3.1746 4.1887 4.1887 4.1960 4.1960 5.3800 5.3800 5.3906 5.3906 8.0353 8.0353 8.0501 8.0501 9.1411 9.1411 9.1539 9.1539 k = 0.2564 0.4441 0.1986 ( 5116 PWs) bands (ev): -34.3535 -34.3535 -34.3535 -34.3535 -15.6552 -15.6552 -15.6537 -15.6537 -15.2914 -15.2914 -15.2897 -15.2897 -15.2670 -15.2670 -15.2657 -15.2657 -2.4544 -2.4544 -2.4540 -2.4540 -0.4931 -0.4931 -0.4907 -0.4907 3.2262 3.2262 3.2356 3.2356 4.1317 4.1317 4.1404 4.1404 5.4351 5.4351 5.4463 5.4463 8.0761 8.0761 8.0907 8.0907 9.1227 9.1227 9.1362 9.1362 k = 0.2500 0.4330 0.1986 ( 5120 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6548 -15.6548 -15.6532 -15.6532 -15.2916 -15.2916 -15.2897 -15.2897 -15.2657 -15.2657 -15.2644 -15.2644 -2.5380 -2.5380 -2.5376 -2.5376 -0.3988 -0.3988 -0.3964 -0.3964 3.2879 3.2879 3.2993 3.2993 4.0770 4.0770 4.0876 4.0876 5.4904 5.4904 5.5022 5.5022 8.1179 8.1179 8.1322 8.1322 9.1032 9.1032 9.1177 9.1177 k = 0.2436 0.4219 0.1986 ( 5120 PWs) bands (ev): -34.3538 -34.3538 -34.3538 -34.3538 -15.6543 -15.6543 -15.6526 -15.6526 -15.2916 -15.2916 -15.2896 -15.2896 -15.2644 -15.2644 -15.2631 -15.2631 -2.6211 -2.6211 -2.6207 -2.6207 -0.3035 -0.3035 -0.3010 -0.3010 3.3509 3.3509 3.3648 3.3648 4.0257 4.0257 4.0389 4.0389 5.5458 5.5458 5.5582 5.5582 8.1601 8.1601 8.1741 8.1741 9.0826 9.0826 9.0983 9.0983 k = 0.2372 0.4108 0.1986 ( 5118 PWs) bands (ev): -34.3539 -34.3539 -34.3539 -34.3539 -15.6537 -15.6537 -15.6520 -15.6520 -15.2916 -15.2916 -15.2895 -15.2895 -15.2630 -15.2630 -15.2617 -15.2617 -2.7033 -2.7033 -2.7029 -2.7029 -0.2073 -0.2073 -0.2049 -0.2049 3.4135 3.4135 3.4308 3.4308 3.9795 3.9795 3.9961 3.9961 5.6010 5.6010 5.6142 5.6142 8.2020 8.2020 8.2156 8.2156 9.0608 9.0608 9.0779 9.0779 k = 0.2308 0.3997 0.1986 ( 5130 PWs) bands (ev): -34.3541 -34.3541 -34.3541 -34.3541 -15.6531 -15.6531 -15.6514 -15.6514 -15.2915 -15.2915 -15.2892 -15.2892 -15.2616 -15.2616 -15.2604 -15.2604 -2.7846 -2.7846 -2.7842 -2.7842 -0.1105 -0.1105 -0.1081 -0.1081 3.4728 3.4728 3.4946 3.4946 3.9411 3.9411 3.9622 3.9622 5.6561 5.6561 5.6699 5.6699 8.2431 8.2431 8.2562 8.2562 9.0377 9.0377 9.0565 9.0565 k = 0.2244 0.3886 0.1986 ( 5130 PWs) bands (ev): -34.3543 -34.3543 -34.3543 -34.3543 -15.6525 -15.6525 -15.6507 -15.6507 -15.2913 -15.2913 -15.2889 -15.2889 -15.2602 -15.2602 -15.2590 -15.2590 -2.8648 -2.8648 -2.8644 -2.8644 -0.0135 -0.0135 -0.0111 -0.0111 3.5245 3.5245 3.5515 3.5515 3.9155 3.9155 3.9419 3.9419 5.7109 5.7109 5.7254 5.7254 8.2826 8.2826 8.2950 8.2950 9.0132 9.0132 9.0340 9.0340 k = 0.2179 0.3775 0.1986 ( 5132 PWs) bands (ev): -34.3544 -34.3544 -34.3544 -34.3544 -15.6518 -15.6518 -15.6500 -15.6500 -15.2910 -15.2910 -15.2885 -15.2885 -15.2588 -15.2588 -15.2576 -15.2576 -2.9437 -2.9437 -2.9433 -2.9433 0.0834 0.0834 0.0858 0.0858 3.5623 3.5623 3.5935 3.5935 3.9110 3.9110 3.9416 3.9416 5.7653 5.7653 5.7803 5.7803 8.3198 8.3198 8.3314 8.3314 8.9874 8.9874 9.0102 9.0102 k = 0.2115 0.3664 0.1986 ( 5140 PWs) bands (ev): -34.3546 -34.3546 -34.3546 -34.3546 -15.6511 -15.6511 -15.6492 -15.6492 -15.2907 -15.2907 -15.2881 -15.2881 -15.2574 -15.2574 -15.2562 -15.2562 -3.0212 -3.0212 -3.0209 -3.0209 0.1799 0.1799 0.1822 0.1822 3.5817 3.5817 3.6133 3.6133 3.9353 3.9353 3.9663 3.9663 5.8190 5.8190 5.8347 5.8347 8.3540 8.3540 8.3647 8.3647 8.9602 8.9602 8.9852 8.9852 k = 0.2051 0.3553 0.1986 ( 5140 PWs) bands (ev): -34.3548 -34.3548 -34.3548 -34.3548 -15.6504 -15.6504 -15.6484 -15.6484 -15.2903 -15.2903 -15.2876 -15.2876 -15.2559 -15.2559 -15.2548 -15.2548 -3.0973 -3.0973 -3.0969 -3.0969 0.2754 0.2754 0.2778 0.2778 3.5845 3.5845 3.6129 3.6129 3.9867 3.9867 4.0146 4.0146 5.8719 5.8719 5.8883 5.8883 8.3847 8.3847 8.3942 8.3942 8.9319 8.9319 8.9589 8.9589 k = 0.1987 0.3442 0.1986 ( 5144 PWs) bands (ev): -34.3550 -34.3550 -34.3550 -34.3550 -15.6496 -15.6496 -15.6476 -15.6476 -15.2898 -15.2898 -15.2870 -15.2870 -15.2545 -15.2545 -15.2533 -15.2533 -3.1718 -3.1718 -3.1714 -3.1714 0.3695 0.3695 0.3719 0.3719 3.5772 3.5772 3.6015 3.6015 4.0564 4.0564 4.0801 4.0801 5.9239 5.9239 5.9409 5.9409 8.4112 8.4112 8.4195 8.4195 8.9028 8.9028 8.9316 8.9316 k = 0.1923 0.3331 0.1986 ( 5124 PWs) bands (ev): -34.3552 -34.3552 -34.3552 -34.3552 -15.6487 -15.6487 -15.6467 -15.6467 -15.2892 -15.2892 -15.2864 -15.2864 -15.2529 -15.2529 -15.2518 -15.2518 -3.2446 -3.2446 -3.2442 -3.2442 0.4616 0.4616 0.4640 0.4640 3.5664 3.5664 3.5871 3.5871 4.1368 4.1368 4.1569 4.1569 5.9747 5.9747 5.9924 5.9924 8.4331 8.4331 8.4403 8.4403 8.8735 8.8735 8.9036 8.9036 k = 0.1859 0.3220 0.1986 ( 5112 PWs) bands (ev): -34.3554 -34.3554 -34.3554 -34.3554 -15.6479 -15.6479 -15.6458 -15.6458 -15.2887 -15.2887 -15.2858 -15.2858 -15.2513 -15.2513 -15.2502 -15.2502 -3.3156 -3.3156 -3.3152 -3.3152 0.5512 0.5512 0.5535 0.5535 3.5565 3.5565 3.5743 3.5743 4.2237 4.2237 4.2410 4.2410 6.0243 6.0243 6.0426 6.0426 8.4498 8.4498 8.4565 8.4565 8.8444 8.8444 8.8751 8.8751 k = 0.1795 0.3109 0.1986 ( 5120 PWs) bands (ev): -34.3556 -34.3556 -34.3556 -34.3556 -15.6470 -15.6470 -15.6450 -15.6450 -15.2881 -15.2881 -15.2852 -15.2852 -15.2498 -15.2498 -15.2487 -15.2487 -3.3847 -3.3847 -3.3843 -3.3843 0.6375 0.6375 0.6398 0.6398 3.5503 3.5503 3.5659 3.5659 4.3148 4.3148 4.3299 4.3299 6.0724 6.0724 6.0913 6.0913 8.4610 8.4610 8.4685 8.4685 8.8163 8.8163 8.8468 8.8468 k = 0.1731 0.2998 0.1986 ( 5112 PWs) bands (ev): -34.3559 -34.3559 -34.3559 -34.3559 -15.6462 -15.6462 -15.6441 -15.6441 -15.2874 -15.2874 -15.2845 -15.2845 -15.2482 -15.2482 -15.2472 -15.2472 -3.4519 -3.4519 -3.4516 -3.4516 0.7199 0.7199 0.7222 0.7222 3.5498 3.5498 3.5638 3.5638 4.4089 4.4089 4.4223 4.4223 6.1188 6.1188 6.1383 6.1383 8.4664 8.4664 8.4762 8.4762 8.7902 8.7902 8.8193 8.8193 k = 0.1667 0.2887 0.1986 ( 5108 PWs) bands (ev): -34.3561 -34.3561 -34.3561 -34.3561 -15.6453 -15.6453 -15.6432 -15.6432 -15.2867 -15.2867 -15.2838 -15.2838 -15.2466 -15.2466 -15.2456 -15.2456 -3.5171 -3.5171 -3.5168 -3.5168 0.7977 0.7977 0.7999 0.7999 3.5565 3.5565 3.5691 3.5691 4.5051 4.5051 4.5170 4.5170 6.1633 6.1633 6.1835 6.1835 8.4663 8.4663 8.4798 8.4798 8.7669 8.7669 8.7934 8.7934 k = 0.1603 0.2776 0.1986 ( 5112 PWs) bands (ev): -34.3563 -34.3563 -34.3563 -34.3563 -15.6444 -15.6444 -15.6423 -15.6423 -15.2861 -15.2861 -15.2831 -15.2831 -15.2449 -15.2449 -15.2440 -15.2440 -3.5803 -3.5803 -3.5799 -3.5799 0.8703 0.8703 0.8724 0.8724 3.5715 3.5715 3.5829 3.5829 4.6027 4.6027 4.6135 4.6135 6.2057 6.2057 6.2265 6.2265 8.4609 8.4609 8.4792 8.4792 8.7473 8.7473 8.7698 8.7698 k = 0.1538 0.2665 0.1986 ( 5118 PWs) bands (ev): -34.3565 -34.3565 -34.3565 -34.3565 -15.6435 -15.6435 -15.6414 -15.6414 -15.2854 -15.2854 -15.2824 -15.2824 -15.2433 -15.2433 -15.2424 -15.2424 -3.6413 -3.6413 -3.6409 -3.6409 0.9370 0.9370 0.9390 0.9390 3.5957 3.5957 3.6062 3.6062 4.7013 4.7013 4.7112 4.7112 6.2459 6.2459 6.2672 6.2672 8.4506 8.4506 8.4746 8.4746 8.7320 8.7320 8.7492 8.7492 k = 0.1474 0.2554 0.1986 ( 5110 PWs) bands (ev): -34.3568 -34.3568 -34.3568 -34.3568 -15.6426 -15.6426 -15.6405 -15.6405 -15.2847 -15.2847 -15.2817 -15.2817 -15.2416 -15.2416 -15.2408 -15.2408 -3.7001 -3.7001 -3.6998 -3.6998 0.9974 0.9974 0.9993 0.9993 3.6298 3.6298 3.6395 3.6395 4.8004 4.8004 4.8094 4.8094 6.2836 6.2836 6.3054 6.3054 8.4362 8.4362 8.4662 8.4662 8.7212 8.7212 8.7324 8.7324 k = 0.1410 0.2443 0.1986 ( 5102 PWs) bands (ev): -34.3570 -34.3570 -34.3570 -34.3570 -15.6417 -15.6417 -15.6396 -15.6396 -15.2839 -15.2839 -15.2811 -15.2811 -15.2399 -15.2399 -15.2391 -15.2391 -3.7568 -3.7568 -3.7564 -3.7564 1.0511 1.0511 1.0529 1.0529 3.6742 3.6742 3.6832 3.6832 4.8995 4.8995 4.9079 4.9079 6.3188 6.3188 6.3410 6.3410 8.4183 8.4183 8.4543 8.4543 8.7149 8.7149 8.7199 8.7199 k = 0.1346 0.2332 0.1986 ( 5106 PWs) bands (ev): -34.3572 -34.3572 -34.3572 -34.3572 -15.6408 -15.6408 -15.6387 -15.6387 -15.2832 -15.2832 -15.2804 -15.2804 -15.2382 -15.2382 -15.2375 -15.2375 -3.8111 -3.8111 -3.8108 -3.8108 1.0979 1.0979 1.0997 1.0997 3.7291 3.7291 3.7376 3.7376 4.9983 4.9983 5.0061 5.0061 6.3512 6.3512 6.3738 6.3738 8.3981 8.3981 8.4394 8.4394 8.7106 8.7106 8.7141 8.7141 k = 0.1282 0.2221 0.1986 ( 5106 PWs) bands (ev): -34.3574 -34.3574 -34.3574 -34.3574 -15.6400 -15.6400 -15.6379 -15.6379 -15.2825 -15.2825 -15.2798 -15.2798 -15.2365 -15.2365 -15.2359 -15.2359 -3.8632 -3.8632 -3.8629 -3.8629 1.1380 1.1380 1.1397 1.1397 3.7946 3.7946 3.8025 3.8025 5.0963 5.0963 5.1036 5.1036 6.3808 6.3808 6.4038 6.4038 8.3763 8.3763 8.4223 8.4223 8.7068 8.7068 8.7160 8.7160 k = 0.1218 0.2110 0.1986 ( 5112 PWs) bands (ev): -34.3577 -34.3577 -34.3577 -34.3577 -15.6391 -15.6391 -15.6371 -15.6371 -15.2818 -15.2818 -15.2792 -15.2792 -15.2348 -15.2348 -15.2343 -15.2343 -3.9129 -3.9129 -3.9126 -3.9126 1.1715 1.1715 1.1731 1.1731 3.8705 3.8705 3.8779 3.8779 5.1930 5.1930 5.1999 5.1999 6.4074 6.4074 6.4307 6.4307 8.3536 8.3536 8.4034 8.4034 8.7067 8.7067 8.7220 8.7220 k = 0.1154 0.1999 0.1986 ( 5116 PWs) bands (ev): -34.3579 -34.3579 -34.3579 -34.3579 -15.6383 -15.6383 -15.6363 -15.6363 -15.2811 -15.2811 -15.2786 -15.2786 -15.2331 -15.2331 -15.2326 -15.2326 -3.9603 -3.9603 -3.9600 -3.9600 1.1988 1.1988 1.2002 1.2002 3.9562 3.9562 3.9633 3.9633 5.2881 5.2881 5.2946 5.2946 6.4311 6.4311 6.4547 6.4547 8.3308 8.3308 8.3835 8.3835 8.7102 8.7102 8.7313 8.7313 k = 0.1090 0.1887 0.1986 ( 5118 PWs) bands (ev): -34.3581 -34.3581 -34.3581 -34.3581 -15.6375 -15.6375 -15.6356 -15.6356 -15.2805 -15.2805 -15.2780 -15.2780 -15.2315 -15.2315 -15.2310 -15.2310 -4.0052 -4.0052 -4.0049 -4.0049 1.2204 1.2204 1.2217 1.2217 4.0512 4.0512 4.0580 4.0580 5.3810 5.3810 5.3873 5.3873 6.4519 6.4519 6.4756 6.4756 8.3080 8.3080 8.3627 8.3627 8.7168 8.7168 8.7436 8.7436 k = 0.1026 0.1776 0.1986 ( 5110 PWs) bands (ev): -34.3583 -34.3583 -34.3583 -34.3583 -15.6367 -15.6367 -15.6349 -15.6349 -15.2798 -15.2798 -15.2775 -15.2775 -15.2298 -15.2298 -15.2295 -15.2295 -4.0477 -4.0477 -4.0474 -4.0474 1.2369 1.2369 1.2382 1.2382 4.1548 4.1548 4.1614 4.1614 5.4713 5.4713 5.4773 5.4773 6.4697 6.4697 6.4936 6.4936 8.2855 8.2855 8.3413 8.3413 8.7261 8.7261 8.7586 8.7586 k = 0.0962 0.1665 0.1986 ( 5106 PWs) bands (ev): -34.3585 -34.3585 -34.3585 -34.3585 -15.6360 -15.6360 -15.6342 -15.6342 -15.2792 -15.2792 -15.2770 -15.2770 -15.2282 -15.2282 -15.2279 -15.2279 -4.0878 -4.0878 -4.0875 -4.0875 1.2490 1.2490 1.2502 1.2502 4.2662 4.2662 4.2727 4.2727 5.5584 5.5584 5.5643 5.5643 6.4846 6.4846 6.5085 6.5085 8.2631 8.2631 8.3192 8.3192 8.7376 8.7376 8.7758 8.7758 k = 0.0897 0.1554 0.1986 ( 5112 PWs) bands (ev): -34.3587 -34.3587 -34.3587 -34.3587 -15.6353 -15.6353 -15.6336 -15.6336 -15.2786 -15.2786 -15.2766 -15.2766 -15.2267 -15.2267 -15.2264 -15.2264 -4.1253 -4.1253 -4.1251 -4.1251 1.2573 1.2573 1.2584 1.2584 4.3846 4.3846 4.3910 4.3910 5.6419 5.6419 5.6477 5.6477 6.4967 6.4967 6.5206 6.5206 8.2406 8.2406 8.2960 8.2960 8.7508 8.7508 8.7947 8.7947 k = 0.0833 0.1443 0.1986 ( 5114 PWs) bands (ev): -34.3589 -34.3589 -34.3589 -34.3589 -15.6346 -15.6346 -15.6330 -15.6330 -15.2781 -15.2781 -15.2761 -15.2761 -15.2252 -15.2252 -15.2249 -15.2249 -4.1604 -4.1604 -4.1601 -4.1601 1.2625 1.2625 1.2634 1.2634 4.5090 4.5090 4.5156 4.5156 5.7214 5.7214 5.7271 5.7271 6.5061 6.5061 6.5299 6.5299 8.2173 8.2173 8.2710 8.2710 8.7653 8.7653 8.8150 8.8150 k = 0.0769 0.1332 0.1986 ( 5134 PWs) bands (ev): -34.3590 -34.3590 -34.3590 -34.3590 -15.6340 -15.6340 -15.6325 -15.6325 -15.2776 -15.2776 -15.2758 -15.2758 -15.2238 -15.2238 -15.2236 -15.2236 -4.1929 -4.1929 -4.1927 -4.1927 1.2651 1.2651 1.2659 1.2659 4.6386 4.6386 4.6454 4.6454 5.7962 5.7962 5.8020 5.8020 6.5127 6.5127 6.5364 6.5364 8.1925 8.1925 8.2434 8.2434 8.7807 8.7807 8.8360 8.8360 k = 0.0705 0.1221 0.1986 ( 5134 PWs) bands (ev): -34.3592 -34.3592 -34.3592 -34.3592 -15.6334 -15.6334 -15.6320 -15.6320 -15.2771 -15.2771 -15.2755 -15.2755 -15.2224 -15.2224 -15.2223 -15.2223 -4.2229 -4.2229 -4.2227 -4.2227 1.2657 1.2657 1.2664 1.2664 4.7724 4.7724 4.7796 4.7796 5.8661 5.8661 5.8720 5.8720 6.5166 6.5166 6.5401 6.5401 8.1649 8.1649 8.2119 8.2119 8.7964 8.7964 8.8572 8.8572 k = 0.0641 0.1110 0.1986 ( 5128 PWs) bands (ev): -34.3593 -34.3593 -34.3593 -34.3593 -15.6329 -15.6329 -15.6315 -15.6315 -15.2767 -15.2767 -15.2751 -15.2751 -15.2211 -15.2211 -15.2210 -15.2210 -4.2504 -4.2504 -4.2502 -4.2502 1.2647 1.2647 1.2654 1.2654 4.9095 4.9095 4.9172 4.9172 5.9306 5.9306 5.9366 5.9366 6.5178 6.5178 6.5410 6.5410 8.1331 8.1331 8.1751 8.1751 8.8122 8.8122 8.8779 8.8779 k = 0.0577 0.0999 0.1986 ( 5144 PWs) bands (ev): -34.3595 -34.3595 -34.3595 -34.3595 -15.6324 -15.6324 -15.6312 -15.6312 -15.2763 -15.2763 -15.2749 -15.2749 -15.2199 -15.2199 -15.2199 -15.2199 -4.2752 -4.2752 -4.2750 -4.2750 1.2627 1.2627 1.2633 1.2633 5.0488 5.0488 5.0572 5.0572 5.9893 5.9893 5.9956 5.9956 6.5161 6.5161 6.5389 6.5389 8.0958 8.0958 8.1320 8.1320 8.8276 8.8276 8.8975 8.8975 k = 0.0513 0.0888 0.1986 ( 5140 PWs) bands (ev): -34.3596 -34.3596 -34.3596 -34.3596 -15.6319 -15.6319 -15.6308 -15.6308 -15.2759 -15.2759 -15.2746 -15.2746 -15.2188 -15.2188 -15.2188 -15.2188 -4.2975 -4.2975 -4.2973 -4.2973 1.2600 1.2600 1.2606 1.2606 5.1892 5.1892 5.1986 5.1986 6.0420 6.0420 6.0487 6.0487 6.5112 6.5112 6.5336 6.5336 8.0517 8.0517 8.0816 8.0816 8.8424 8.8424 8.9152 8.9152 k = 0.0449 0.0777 0.1986 ( 5138 PWs) bands (ev): -34.3597 -34.3597 -34.3597 -34.3597 -15.6315 -15.6315 -15.6305 -15.6305 -15.2755 -15.2755 -15.2744 -15.2744 -15.2179 -15.2179 -15.2178 -15.2178 -4.3172 -4.3172 -4.3170 -4.3170 1.2569 1.2569 1.2574 1.2574 5.3294 5.3294 5.3400 5.3400 6.0885 6.0885 6.0956 6.0956 6.5026 6.5026 6.5245 6.5245 8.0003 8.0003 8.0242 8.0242 8.8563 8.8563 8.9295 8.9295 k = 0.0385 0.0666 0.1986 ( 5130 PWs) bands (ev): -34.3598 -34.3598 -34.3598 -34.3598 -15.6311 -15.6311 -15.6302 -15.6302 -15.2752 -15.2752 -15.2743 -15.2743 -15.2170 -15.2170 -15.2170 -15.2170 -4.3343 -4.3343 -4.3341 -4.3341 1.2537 1.2537 1.2541 1.2541 5.4679 5.4679 5.4801 5.4801 6.1285 6.1285 6.1363 6.1363 6.4898 6.4898 6.5109 6.5109 7.9423 7.9423 7.9612 7.9612 8.8691 8.8691 8.9375 8.9375 k = 0.0321 0.0555 0.1986 ( 5126 PWs) bands (ev): -34.3599 -34.3599 -34.3599 -34.3599 -15.6307 -15.6307 -15.6300 -15.6300 -15.2749 -15.2749 -15.2741 -15.2741 -15.2162 -15.2162 -15.2162 -15.2162 -4.3487 -4.3487 -4.3486 -4.3486 1.2507 1.2507 1.2510 1.2510 5.6030 5.6030 5.6170 5.6170 6.1619 6.1619 6.1708 6.1708 6.4718 6.4718 6.4917 6.4917 7.8802 7.8802 7.8952 7.8952 8.8803 8.8803 8.9332 8.9332 k = 0.0256 0.0444 0.1986 ( 5118 PWs) bands (ev): -34.3600 -34.3600 -34.3600 -34.3600 -15.6304 -15.6304 -15.6298 -15.6298 -15.2747 -15.2747 -15.2740 -15.2740 -15.2156 -15.2156 -15.2156 -15.2156 -4.3606 -4.3606 -4.3605 -4.3605 1.2479 1.2479 1.2482 1.2482 5.7323 5.7323 5.7486 5.7486 6.1883 6.1883 6.1990 6.1990 6.4476 6.4476 6.4658 6.4658 7.8181 7.8181 7.8303 7.8303 8.8892 8.8892 8.9204 8.9204 k = 0.0192 0.0333 0.1986 ( 5118 PWs) bands (ev): -34.3600 -34.3600 -34.3600 -34.3600 -15.6302 -15.6302 -15.6297 -15.6297 -15.2744 -15.2744 -15.2740 -15.2740 -15.2151 -15.2151 -15.2151 -15.2151 -4.3698 -4.3698 -4.3697 -4.3697 1.2456 1.2456 1.2458 1.2458 5.8530 5.8530 5.8718 5.8718 6.2074 6.2074 6.2210 6.2210 6.4167 6.4167 6.4320 6.4320 7.7613 7.7613 7.7712 7.7712 8.8951 8.8951 8.9093 8.9093 k = 0.0128 0.0222 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6300 -15.6300 -15.6297 -15.6297 -15.2743 -15.2743 -15.2739 -15.2739 -15.2148 -15.2148 -15.2147 -15.2147 -4.3763 -4.3763 -4.3763 -4.3763 1.2439 1.2439 1.2441 1.2441 5.9607 5.9607 5.9816 5.9816 6.2183 6.2183 6.2361 6.2361 6.3804 6.3804 6.3906 6.3906 7.7159 7.7159 7.7230 7.7230 8.8980 8.8980 8.9024 8.9024 k = 0.0064 0.0111 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6298 -15.6298 -15.6297 -15.6297 -15.2741 -15.2741 -15.2740 -15.2740 -15.2145 -15.2145 -15.2145 -15.2145 -4.3803 -4.3803 -4.3803 -4.3803 1.2429 1.2429 1.2430 1.2430 6.0479 6.0479 6.0668 6.0668 6.2217 6.2217 6.2412 6.2412 6.3454 6.3454 6.3484 6.3484 7.6870 7.6870 7.6908 7.6908 8.8985 8.8985 8.8992 8.8992 k = 0.0000 0.0000 0.1986 ( 5106 PWs) bands (ev): -34.3601 -34.3601 -34.3601 -34.3601 -15.6297 -15.6297 -15.6297 -15.6297 -15.2740 -15.2740 -15.2740 -15.2740 -15.2145 -15.2145 -15.2145 -15.2145 -4.3816 -4.3816 -4.3816 -4.3816 1.2426 1.2426 1.2426 1.2426 6.0948 6.0948 6.0948 6.0948 6.2299 6.2299 6.2299 6.2299 6.3287 6.3287 6.3287 6.3287 7.6783 7.6783 7.6783 7.6783 8.8984 8.8984 8.8984 8.8984 k = 0.5000 0.2887 0.1986 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6554 -15.6554 -15.6554 -15.6554 -15.2996 -15.2996 -15.2996 -15.2996 -15.2545 -15.2545 -15.2545 -15.2545 -2.4185 -2.4185 -2.4185 -2.4185 -0.7666 -0.7666 -0.7666 -0.7666 3.7925 3.7925 3.7925 3.7925 4.7606 4.7606 4.7606 4.7606 5.1626 5.1626 5.1626 5.1626 7.6092 7.6092 7.6092 7.6092 8.4165 8.4165 8.4165 8.4165 k = 0.5000 0.2887 0.1862 ( 5142 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6555 -15.6555 -15.6554 -15.6554 -15.2997 -15.2997 -15.2996 -15.2996 -15.2546 -15.2546 -15.2545 -15.2545 -2.4205 -2.4205 -2.4166 -2.4166 -0.7677 -0.7677 -0.7654 -0.7654 3.7803 3.7803 3.8038 3.8038 4.7499 4.7499 4.7713 4.7713 5.1582 5.1582 5.1696 5.1696 7.5886 7.5886 7.6249 7.6249 8.4123 8.4123 8.4213 8.4213 k = 0.5000 0.2887 0.1738 ( 5148 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6555 -15.6555 -15.6553 -15.6553 -15.2998 -15.2998 -15.2995 -15.2995 -15.2546 -15.2546 -15.2544 -15.2544 -2.4225 -2.4225 -2.4146 -2.4146 -0.7688 -0.7688 -0.7643 -0.7643 3.7674 3.7674 3.8141 3.8141 4.7395 4.7395 4.7822 4.7822 5.1564 5.1564 5.1790 5.1790 7.5648 7.5648 7.6344 7.6344 8.4067 8.4067 8.4288 8.4288 k = 0.5000 0.2887 0.1614 ( 5140 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6556 -15.6556 -15.6552 -15.6552 -15.2999 -15.2999 -15.2994 -15.2994 -15.2547 -15.2547 -15.2543 -15.2543 -2.4244 -2.4244 -2.4127 -2.4127 -0.7699 -0.7699 -0.7632 -0.7632 3.7540 3.7540 3.8233 3.8233 4.7295 4.7295 4.7929 4.7929 5.1571 5.1571 5.1907 5.1907 7.5391 7.5391 7.6367 7.6367 8.3979 8.3979 8.4407 8.4407 k = 0.5000 0.2887 0.1490 ( 5132 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6556 -15.6556 -15.6552 -15.6552 -15.2999 -15.2999 -15.2994 -15.2994 -15.2547 -15.2547 -15.2543 -15.2543 -2.4262 -2.4262 -2.4108 -2.4108 -0.7709 -0.7709 -0.7620 -0.7620 3.7404 3.7404 3.8313 3.8313 4.7198 4.7198 4.8035 4.8035 5.1603 5.1603 5.2043 5.2043 7.5127 7.5127 7.6315 7.6315 8.3849 8.3849 8.4582 8.4582 k = 0.5000 0.2887 0.1366 ( 5128 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6557 -15.6557 -15.6551 -15.6551 -15.3000 -15.3000 -15.2993 -15.2993 -15.2547 -15.2547 -15.2542 -15.2542 -2.4280 -2.4280 -2.4090 -2.4090 -0.7718 -0.7718 -0.7609 -0.7609 3.7267 3.7267 3.8380 3.8380 4.7106 4.7106 4.8139 4.8139 5.1656 5.1656 5.2196 5.2196 7.4867 7.4867 7.6190 7.6190 8.3673 8.3673 8.4817 8.4817 k = 0.5000 0.2887 0.1241 ( 5122 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6557 -15.6557 -15.6551 -15.6551 -15.3000 -15.3000 -15.2992 -15.2992 -15.2548 -15.2548 -15.2542 -15.2542 -2.4297 -2.4297 -2.4073 -2.4073 -0.7727 -0.7727 -0.7599 -0.7599 3.7133 3.7133 3.8436 3.8436 4.7020 4.7020 4.8238 4.8238 5.1727 5.1727 5.2360 5.2360 7.4620 7.4620 7.6004 7.6004 8.3452 8.3452 8.5106 8.5106 k = 0.5000 0.2887 0.1117 ( 5126 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6557 -15.6557 -15.6550 -15.6550 -15.3001 -15.3001 -15.2992 -15.2992 -15.2548 -15.2548 -15.2541 -15.2541 -2.4312 -2.4312 -2.4057 -2.4057 -0.7736 -0.7736 -0.7589 -0.7589 3.7004 3.7004 3.8481 3.8481 4.6939 4.6939 4.8332 4.8332 5.1813 5.1813 5.2532 5.2532 7.4390 7.4390 7.5772 7.5772 8.3193 8.3193 8.5437 8.5437 k = 0.5000 0.2887 0.0993 ( 5134 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6558 -15.6558 -15.6550 -15.6550 -15.3002 -15.3002 -15.2991 -15.2991 -15.2549 -15.2549 -15.2541 -15.2541 -2.4327 -2.4327 -2.4043 -2.4043 -0.7743 -0.7743 -0.7580 -0.7580 3.6882 3.6882 3.8516 3.8516 4.6866 4.6866 4.8420 4.8420 5.1908 5.1908 5.2706 5.2706 7.4183 7.4183 7.5511 7.5511 8.2907 8.2907 8.5796 8.5796 k = 0.5000 0.2887 0.0869 ( 5136 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6558 -15.6558 -15.6550 -15.6550 -15.3002 -15.3002 -15.2991 -15.2991 -15.2549 -15.2549 -15.2541 -15.2541 -2.4340 -2.4340 -2.4029 -2.4029 -0.7750 -0.7750 -0.7571 -0.7571 3.6769 3.6769 3.8543 3.8543 4.6799 4.6799 4.8501 4.8501 5.2009 5.2009 5.2877 5.2877 7.4001 7.4001 7.5237 7.5237 8.2609 8.2609 8.6167 8.6167 k = 0.5000 0.2887 0.0745 ( 5132 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6559 -15.6559 -15.6549 -15.6549 -15.3002 -15.3002 -15.2990 -15.2990 -15.2549 -15.2549 -15.2540 -15.2540 -2.4352 -2.4352 -2.4017 -2.4017 -0.7756 -0.7756 -0.7564 -0.7564 3.6667 3.6667 3.8562 3.8562 4.6741 4.6741 4.8573 4.8573 5.2109 5.2109 5.3040 5.3040 7.3846 7.3846 7.4966 7.4966 8.2312 8.2312 8.6531 8.6531 k = 0.5000 0.2887 0.0621 ( 5128 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6559 -15.6559 -15.6549 -15.6549 -15.3003 -15.3003 -15.2990 -15.2990 -15.2550 -15.2550 -15.2540 -15.2540 -2.4362 -2.4362 -2.4007 -2.4007 -0.7761 -0.7761 -0.7557 -0.7557 3.6578 3.6578 3.8576 3.8576 4.6691 4.6691 4.8636 4.8636 5.2204 5.2204 5.3190 5.3190 7.3718 7.3718 7.4713 7.4713 8.2030 8.2030 8.6873 8.6873 k = 0.5000 0.2887 0.0497 ( 5128 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6559 -15.6559 -15.6549 -15.6549 -15.3003 -15.3003 -15.2990 -15.2990 -15.2550 -15.2550 -15.2540 -15.2540 -2.4370 -2.4370 -2.3999 -2.3999 -0.7765 -0.7765 -0.7552 -0.7552 3.6504 3.6504 3.8585 3.8585 4.6649 4.6649 4.8689 4.8689 5.2290 5.2290 5.3321 5.3321 7.3616 7.3616 7.4489 7.4489 8.1778 8.1778 8.7178 8.7178 k = 0.5000 0.2887 0.0372 ( 5140 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6559 -15.6559 -15.6549 -15.6549 -15.3003 -15.3003 -15.2990 -15.2990 -15.2550 -15.2550 -15.2540 -15.2540 -2.4376 -2.4376 -2.3992 -2.3992 -0.7769 -0.7769 -0.7548 -0.7548 3.6444 3.6444 3.8591 3.8591 4.6616 4.6616 4.8731 4.8731 5.2361 5.2361 5.3428 5.3428 7.3540 7.3540 7.4305 7.4305 8.1567 8.1567 8.7431 8.7431 k = 0.5000 0.2887 0.0248 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6560 -15.6549 -15.6549 -15.3004 -15.3004 -15.2990 -15.2990 -15.2550 -15.2550 -15.2540 -15.2540 -2.4381 -2.4381 -2.3987 -2.3987 -0.7771 -0.7771 -0.7544 -0.7544 3.6401 3.6401 3.8594 3.8594 4.6593 4.6593 4.8761 4.8761 5.2415 5.2415 5.3508 5.3508 7.3487 7.3487 7.4167 7.4167 8.1409 8.1409 8.7621 8.7621 k = 0.5000 0.2887 0.0124 ( 5144 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6560 -15.6549 -15.6549 -15.3004 -15.3004 -15.2990 -15.2990 -15.2550 -15.2550 -15.2540 -15.2540 -2.4384 -2.4384 -2.3984 -2.3984 -0.7773 -0.7773 -0.7542 -0.7542 3.6375 3.6375 3.8596 3.8596 4.6579 4.6579 4.8779 4.8779 5.2448 5.2448 5.3557 5.3557 7.3456 7.3456 7.4082 7.4082 8.1310 8.1310 8.7738 8.7738 k = 0.5000 0.2887-0.0000 ( 5142 PWs) bands (ev): -34.3537 -34.3537 -34.3537 -34.3537 -15.6560 -15.6560 -15.6548 -15.6548 -15.3004 -15.3004 -15.2989 -15.2989 -15.2551 -15.2551 -15.2539 -15.2539 -2.4385 -2.4385 -2.3983 -2.3983 -0.7773 -0.7773 -0.7542 -0.7542 3.6367 3.6367 3.8597 3.8597 4.6574 4.6574 4.8786 4.8786 5.2459 5.2459 5.3574 5.3574 7.3446 7.3446 7.4053 7.4053 8.1277 8.1277 8.7778 8.7778 k = 0.3333 0.5774-0.0000 ( 5142 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6572 -15.6562 -15.6562 -15.2868 -15.2856 -15.2854 -15.2854 -15.2796 -15.2796 -15.2771 -15.2771 -1.5288 -1.5288 -1.5166 -1.5135 -1.4709 -1.4709 -1.4386 -1.4386 2.8260 2.8306 2.8306 2.8330 4.4801 4.4801 4.7642 4.7642 4.7781 4.7954 5.1198 5.1198 8.0883 8.1274 8.1274 8.1324 8.6437 8.6437 9.7154 9.7154 k = 0.3333 0.5774 0.0124 ( 5139 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6572 -15.6562 -15.6562 -15.2868 -15.2856 -15.2854 -15.2854 -15.2796 -15.2796 -15.2771 -15.2771 -1.5288 -1.5288 -1.5165 -1.5135 -1.4708 -1.4708 -1.4386 -1.4386 2.8258 2.8304 2.8304 2.8328 4.4814 4.4814 4.7650 4.7650 4.7789 4.7962 5.1178 5.1178 8.0847 8.1236 8.1236 8.1286 8.6471 8.6471 9.7138 9.7138 k = 0.3333 0.5774 0.0248 ( 5133 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6562 -15.2868 -15.2856 -15.2854 -15.2854 -15.2795 -15.2795 -15.2771 -15.2771 -1.5288 -1.5288 -1.5165 -1.5135 -1.4707 -1.4707 -1.4388 -1.4388 2.8253 2.8299 2.8299 2.8322 4.4851 4.4851 4.7672 4.7672 4.7813 4.7984 5.1119 5.1119 8.0742 8.1125 8.1125 8.1171 8.6569 8.6569 9.7089 9.7089 k = 0.3333 0.5774 0.0372 ( 5127 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6582 -15.6571 -15.6562 -15.6562 -15.2867 -15.2856 -15.2854 -15.2854 -15.2795 -15.2795 -15.2771 -15.2771 -1.5288 -1.5288 -1.5165 -1.5135 -1.4704 -1.4704 -1.4391 -1.4391 2.8245 2.8291 2.8291 2.8313 4.4913 4.4913 4.7710 4.7710 4.7854 4.8021 5.1023 5.1023 8.0574 8.0948 8.0948 8.0988 8.6732 8.6732 9.7008 9.7008 k = 0.3333 0.5774 0.0497 ( 5112 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6571 -15.6562 -15.6562 -15.2867 -15.2856 -15.2854 -15.2854 -15.2795 -15.2795 -15.2771 -15.2771 -1.5288 -1.5288 -1.5164 -1.5136 -1.4700 -1.4700 -1.4395 -1.4395 2.8235 2.8279 2.8279 2.8300 4.4999 4.4999 4.7760 4.7760 4.7908 4.8070 5.0890 5.0890 8.0352 8.0715 8.0715 8.0748 8.6955 8.6955 9.6892 9.6892 k = 0.3333 0.5774 0.0621 ( 5124 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6572 -15.6562 -15.6562 -15.2867 -15.2857 -15.2854 -15.2854 -15.2795 -15.2795 -15.2771 -15.2771 -1.5288 -1.5288 -1.5164 -1.5136 -1.4696 -1.4696 -1.4400 -1.4400 2.8222 2.8266 2.8266 2.8284 4.5109 4.5109 4.7822 4.7822 4.7974 4.8131 5.0723 5.0723 8.0089 8.0439 8.0439 8.0462 8.7237 8.7237 9.6740 9.6740 k = 0.3333 0.5774 0.0745 ( 5127 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6572 -15.6562 -15.6562 -15.2867 -15.2857 -15.2855 -15.2855 -15.2794 -15.2794 -15.2771 -15.2771 -1.5288 -1.5288 -1.5163 -1.5137 -1.4690 -1.4690 -1.4406 -1.4406 2.8208 2.8250 2.8250 2.8267 4.5242 4.5242 4.7893 4.7893 4.8051 4.8200 5.0526 5.0526 7.9798 8.0133 8.0133 8.0145 8.7573 8.7573 9.6551 9.6551 k = 0.3333 0.5774 0.0869 ( 5115 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6581 -15.6572 -15.6562 -15.6562 -15.2866 -15.2857 -15.2855 -15.2855 -15.2794 -15.2794 -15.2771 -15.2771 -1.5288 -1.5288 -1.5162 -1.5138 -1.4684 -1.4684 -1.4412 -1.4412 2.8193 2.8233 2.8233 2.8247 4.5398 4.5398 4.7970 4.7970 4.8135 4.8275 5.0302 5.0302 7.9493 7.9811 7.9812 7.9812 8.7957 8.7957 9.6324 9.6324 k = 0.3333 0.5774 0.0993 ( 5124 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6580 -15.6573 -15.6562 -15.6562 -15.2866 -15.2858 -15.2855 -15.2855 -15.2794 -15.2794 -15.2771 -15.2771 -1.5288 -1.5288 -1.5161 -1.5139 -1.4677 -1.4677 -1.4419 -1.4419 2.8178 2.8216 2.8216 2.8227 4.5576 4.5576 4.8050 4.8050 4.8224 4.8352 5.0054 5.0054 7.9186 7.9473 7.9488 7.9488 8.8385 8.8385 9.6057 9.6057 k = 0.3333 0.5774 0.1117 ( 5130 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6580 -15.6573 -15.6562 -15.6562 -15.2865 -15.2858 -15.2856 -15.2856 -15.2794 -15.2794 -15.2771 -15.2771 -1.5288 -1.5288 -1.5159 -1.5140 -1.4670 -1.4670 -1.4427 -1.4427 2.8162 2.8198 2.8198 2.8207 4.5774 4.5774 4.8131 4.8131 4.8313 4.8430 4.9786 4.9786 7.8888 7.9144 7.9174 7.9174 8.8850 8.8850 9.5750 9.5750 k = 0.3333 0.5774 0.1241 ( 5127 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6580 -15.6574 -15.6562 -15.6562 -15.2865 -15.2859 -15.2856 -15.2856 -15.2793 -15.2793 -15.2771 -15.2771 -1.5288 -1.5288 -1.5158 -1.5141 -1.4662 -1.4662 -1.4434 -1.4434 2.8148 2.8182 2.8182 2.8187 4.5991 4.5991 4.8209 4.8209 4.8401 4.8504 4.9502 4.9502 7.8611 7.8833 7.8879 7.8879 8.9346 8.9346 9.5404 9.5404 k = 0.3333 0.5774 0.1366 ( 5127 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6579 -15.6574 -15.6562 -15.6562 -15.2865 -15.2859 -15.2856 -15.2856 -15.2793 -15.2793 -15.2771 -15.2771 -1.5288 -1.5288 -1.5157 -1.5142 -1.4655 -1.4655 -1.4442 -1.4442 2.8135 2.8166 2.8166 2.8168 4.6227 4.6227 4.8281 4.8281 4.8484 4.8572 4.9207 4.9207 7.8364 7.8550 7.8614 7.8614 8.9868 8.9868 9.5019 9.5019 k = 0.3333 0.5774 0.1490 ( 5130 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6579 -15.6575 -15.6562 -15.6562 -15.2864 -15.2860 -15.2856 -15.2856 -15.2793 -15.2793 -15.2771 -15.2771 -1.5288 -1.5288 -1.5155 -1.5144 -1.4648 -1.4648 -1.4449 -1.4449 2.8125 2.8151 2.8153 2.8153 4.6478 4.6478 4.8343 4.8343 4.8558 4.8630 4.8904 4.8904 7.8154 7.8305 7.8387 7.8387 9.0407 9.0407 9.4597 9.4597 k = 0.3333 0.5774 0.1614 ( 5130 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6578 -15.6575 -15.6562 -15.6562 -15.2864 -15.2860 -15.2857 -15.2857 -15.2793 -15.2793 -15.2771 -15.2771 -1.5288 -1.5288 -1.5154 -1.5145 -1.4642 -1.4642 -1.4455 -1.4455 2.8117 2.8137 2.8142 2.8142 4.6744 4.6744 4.8385 4.8385 4.8607 4.8607 4.8621 4.8677 7.7988 7.8102 7.8203 7.8203 9.0957 9.0957 9.4142 9.4142 k = 0.3333 0.5774 0.1738 ( 5130 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6578 -15.6576 -15.6562 -15.6562 -15.2863 -15.2861 -15.2857 -15.2857 -15.2792 -15.2792 -15.2771 -15.2771 -1.5288 -1.5288 -1.5152 -1.5146 -1.4637 -1.4637 -1.4460 -1.4460 2.8112 2.8125 2.8134 2.8134 4.7020 4.7020 4.8260 4.8260 4.8464 4.8464 4.8671 4.8708 7.7872 7.7948 7.8068 7.8068 9.1513 9.1513 9.3657 9.3657 k = 0.3333 0.5774 0.1862 ( 5142 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6578 -15.6576 -15.6562 -15.6562 -15.2863 -15.2862 -15.2857 -15.2857 -15.2793 -15.2793 -15.2772 -15.2772 -1.5288 -1.5288 -1.5151 -1.5148 -1.4634 -1.4634 -1.4463 -1.4463 2.8110 2.8117 2.8129 2.8129 4.7295 4.7295 4.7977 4.7977 4.8476 4.8476 4.8706 4.8724 7.7808 7.7847 7.7985 7.7985 9.2065 9.2065 9.3148 9.3148 k = 0.3333 0.5774 0.1986 ( 5148 PWs) bands (ev): -34.3529 -34.3529 -34.3529 -34.3529 -15.6577 -15.6577 -15.6562 -15.6562 -15.2862 -15.2862 -15.2857 -15.2857 -15.2793 -15.2793 -15.2772 -15.2772 -1.5288 -1.5288 -1.5149 -1.5149 -1.4633 -1.4633 -1.4464 -1.4464 2.8112 2.8112 2.8127 2.8127 4.7478 4.7478 4.7789 4.7789 4.8483 4.8483 4.8723 4.8723 7.7800 7.7800 7.7958 7.7958 9.2555 9.2555 9.2672 9.2672 Writing output data file CaGe2.save init_run : 4.67s CPU 13.55s WALL ( 1 calls) electrons : 734.38s CPU 741.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 734.31s CPU 741.47s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.59s WALL ( 1 calls) newd : 0.47s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 303 calls) cegterg : 700.95s CPU 705.56s WALL ( 1066 calls) Called by sum_band: Called by *egterg: h_psi : 304.94s CPU 314.98s WALL ( 20222 calls) s_psi : 28.84s CPU 29.53s WALL ( 20222 calls) g_psi : 0.95s CPU 1.03s WALL ( 18853 calls) cdiaghg : 255.56s CPU 251.73s WALL ( 19156 calls) cegterg:over : 59.58s CPU 54.65s WALL ( 18853 calls) cegterg:upda : 14.27s CPU 19.99s WALL ( 18853 calls) cegterg:last : 12.43s CPU 13.56s WALL ( 2806 calls) Called by h_psi: h_psi:vloc : 240.21s CPU 248.88s WALL ( 20222 calls) h_psi:vnl : 64.26s CPU 64.96s WALL ( 20222 calls) add_vuspsi : 18.98s CPU 24.39s WALL ( 20222 calls) General routines calbec : 45.21s CPU 40.45s WALL ( 20222 calls) fft : 0.50s CPU 1.51s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 226.76s CPU 232.33s WALL ( 1403616 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.04s CPU 0.99s WALL ( 606 calls) Parallel routines fft_scatter : 146.02s CPU 147.11s WALL ( 1403639 calls) PWSCF : 13m 3.04s CPU 14m19.61s WALL This run was terminated on: 5:58:30 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=