Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:14:57 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./MnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 36 10 1746 1746 264 Max 37 37 11 1756 1756 271 Sum 1303 1303 379 63067 63067 9585 bravais-lattice index = 14 lattice parameter (alat) = 7.7233 a.u. unit-cell volume = 654.1480 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.723310 celldm(2)= 1.000000 celldm(3)= 1.639589 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.639589 ) 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 0.609909 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Mn 15.00 54.93800 Mn( 1.00) Te 6.00 127.60000 Te( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0030581 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0030581 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0030581 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0030581 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0030581 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0030581 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0030581 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0030581 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030581 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0030581 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0030581 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0030581 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0030581 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0030581 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030581 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0030581 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0030581 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030581 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0030581 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0030581 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0030581 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0030581 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0030581 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0030581 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0030581 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0030581 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030581 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0030581 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0030581 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030581 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0030581 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0030581 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0030581 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0030581 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0030581 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030581 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0030581 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0030581 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0030581 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0030581 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0030581 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0030581 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0030581 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0030581 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030581 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030581 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030581 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030581 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030581 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030581 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030581 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030581 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030581 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030581 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030581 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030581 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030581 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030581 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030581 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030581 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030581 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030581 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030581 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030581 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030581 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030581 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030581 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030581 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030581 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030581 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030581 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030581 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030581 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0030581 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0030581 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0030581 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0030581 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0030581 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0030581 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0030581 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0030581 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0030581 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0030581 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0030581 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0030581 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0030581 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0030581 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0030581 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0030581 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0030581 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0030581 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0030581 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0030581 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0030581 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0030581 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0030581 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0030581 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0030581 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030581 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0030581 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0030581 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0030581 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0030581 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0030581 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0030581 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0030581 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0030581 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0030581 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0030581 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0030581 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0030581 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0030581 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0030581 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0030581 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0030581 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0030581 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0030581 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0030581 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0030581 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0030581 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0030581 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0030581 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0030581 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0030581 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 128) = ( 0.0000000 0.0000000 0.0127064), wk = 0.0030581 k( 129) = ( 0.0000000 0.0000000 0.0254129), wk = 0.0030581 k( 130) = ( 0.0000000 0.0000000 0.0381193), wk = 0.0030581 k( 131) = ( 0.0000000 0.0000000 0.0508257), wk = 0.0030581 k( 132) = ( 0.0000000 0.0000000 0.0635322), wk = 0.0030581 k( 133) = ( 0.0000000 0.0000000 0.0762386), wk = 0.0030581 k( 134) = ( 0.0000000 0.0000000 0.0889451), wk = 0.0030581 k( 135) = ( 0.0000000 0.0000000 0.1016515), wk = 0.0030581 k( 136) = ( 0.0000000 0.0000000 0.1143579), wk = 0.0030581 k( 137) = ( 0.0000000 0.0000000 0.1270644), wk = 0.0030581 k( 138) = ( 0.0000000 0.0000000 0.1397708), wk = 0.0030581 k( 139) = ( 0.0000000 0.0000000 0.1524772), wk = 0.0030581 k( 140) = ( 0.0000000 0.0000000 0.1651837), wk = 0.0030581 k( 141) = ( 0.0000000 0.0000000 0.1778901), wk = 0.0030581 k( 142) = ( 0.0000000 0.0000000 0.1905966), wk = 0.0030581 k( 143) = ( 0.0000000 0.0000000 0.2033030), wk = 0.0030581 k( 144) = ( 0.0000000 0.0000000 0.2160094), wk = 0.0030581 k( 145) = ( 0.0000000 0.0000000 0.2287159), wk = 0.0030581 k( 146) = ( 0.0000000 0.0000000 0.2414223), wk = 0.0030581 k( 147) = ( 0.0000000 0.0000000 0.2541287), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.2668352), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.2795416), wk = 0.0030581 k( 150) = ( 0.0000000 0.0000000 0.2922480), wk = 0.0030581 k( 151) = ( 0.0000000 0.0000000 0.3049545), wk = 0.0030581 k( 152) = ( 0.0000000 0.0000000 0.3049545), wk = 0.0030581 k( 153) = ( 0.0111111 0.0064150 0.3049545), wk = 0.0030581 k( 154) = ( 0.0222222 0.0128300 0.3049545), wk = 0.0030581 k( 155) = ( 0.0333333 0.0192450 0.3049545), wk = 0.0030581 k( 156) = ( 0.0444444 0.0256600 0.3049545), wk = 0.0030581 k( 157) = ( 0.0555556 0.0320750 0.3049545), wk = 0.0030581 k( 158) = ( 0.0666667 0.0384900 0.3049545), wk = 0.0030581 k( 159) = ( 0.0777778 0.0449050 0.3049545), wk = 0.0030581 k( 160) = ( 0.0888889 0.0513200 0.3049545), wk = 0.0030581 k( 161) = ( 0.1000000 0.0577350 0.3049545), wk = 0.0030581 k( 162) = ( 0.1111111 0.0641500 0.3049545), wk = 0.0030581 k( 163) = ( 0.1222222 0.0705650 0.3049545), wk = 0.0030581 k( 164) = ( 0.1333333 0.0769800 0.3049545), wk = 0.0030581 k( 165) = ( 0.1444444 0.0833950 0.3049545), wk = 0.0030581 k( 166) = ( 0.1555556 0.0898100 0.3049545), wk = 0.0030581 k( 167) = ( 0.1666667 0.0962250 0.3049545), wk = 0.0030581 k( 168) = ( 0.1777778 0.1026400 0.3049545), wk = 0.0030581 k( 169) = ( 0.1888889 0.1090551 0.3049545), wk = 0.0030581 k( 170) = ( 0.2000000 0.1154701 0.3049545), wk = 0.0030581 k( 171) = ( 0.2111111 0.1218851 0.3049545), wk = 0.0030581 k( 172) = ( 0.2222222 0.1283001 0.3049545), wk = 0.0030581 k( 173) = ( 0.2333333 0.1347151 0.3049545), wk = 0.0030581 k( 174) = ( 0.2444444 0.1411301 0.3049545), wk = 0.0030581 k( 175) = ( 0.2555556 0.1475451 0.3049545), wk = 0.0030581 k( 176) = ( 0.2666667 0.1539601 0.3049545), wk = 0.0030581 k( 177) = ( 0.2777778 0.1603751 0.3049545), wk = 0.0030581 k( 178) = ( 0.2888889 0.1667901 0.3049545), wk = 0.0030581 k( 179) = ( 0.3000000 0.1732051 0.3049545), wk = 0.0030581 k( 180) = ( 0.3111111 0.1796201 0.3049545), wk = 0.0030581 k( 181) = ( 0.3222222 0.1860351 0.3049545), wk = 0.0030581 k( 182) = ( 0.3333333 0.1924501 0.3049545), wk = 0.0030581 k( 183) = ( 0.3444444 0.1988651 0.3049545), wk = 0.0030581 k( 184) = ( 0.3555556 0.2052801 0.3049545), wk = 0.0030581 k( 185) = ( 0.3666667 0.2116951 0.3049545), wk = 0.0030581 k( 186) = ( 0.3777778 0.2181101 0.3049545), wk = 0.0030581 k( 187) = ( 0.3888889 0.2245251 0.3049545), wk = 0.0030581 k( 188) = ( 0.4000000 0.2309401 0.3049545), wk = 0.0030581 k( 189) = ( 0.4111111 0.2373551 0.3049545), wk = 0.0030581 k( 190) = ( 0.4222222 0.2437701 0.3049545), wk = 0.0030581 k( 191) = ( 0.4333333 0.2501851 0.3049545), wk = 0.0030581 k( 192) = ( 0.4444444 0.2566001 0.3049545), wk = 0.0030581 k( 193) = ( 0.4555556 0.2630151 0.3049545), wk = 0.0030581 k( 194) = ( 0.4666667 0.2694301 0.3049545), wk = 0.0030581 k( 195) = ( 0.4777778 0.2758451 0.3049545), wk = 0.0030581 k( 196) = ( 0.4888889 0.2822601 0.3049545), wk = 0.0030581 k( 197) = ( 0.5000000 0.2886751 0.3049545), wk = 0.0030581 k( 198) = ( 0.5000000 0.2886751 0.3049545), wk = 0.0030581 k( 199) = ( 0.4935897 0.2997780 0.3049545), wk = 0.0030581 k( 200) = ( 0.4871795 0.3108809 0.3049545), wk = 0.0030581 k( 201) = ( 0.4807692 0.3219838 0.3049545), wk = 0.0030581 k( 202) = ( 0.4743590 0.3330867 0.3049545), wk = 0.0030581 k( 203) = ( 0.4679487 0.3441896 0.3049545), wk = 0.0030581 k( 204) = ( 0.4615385 0.3552925 0.3049545), wk = 0.0030581 k( 205) = ( 0.4551282 0.3663954 0.3049545), wk = 0.0030581 k( 206) = ( 0.4487179 0.3774983 0.3049545), wk = 0.0030581 k( 207) = ( 0.4423077 0.3886011 0.3049545), wk = 0.0030581 k( 208) = ( 0.4358974 0.3997040 0.3049545), wk = 0.0030581 k( 209) = ( 0.4294872 0.4108069 0.3049545), wk = 0.0030581 k( 210) = ( 0.4230769 0.4219098 0.3049545), wk = 0.0030581 k( 211) = ( 0.4166667 0.4330127 0.3049545), wk = 0.0030581 k( 212) = ( 0.4102564 0.4441156 0.3049545), wk = 0.0030581 k( 213) = ( 0.4038462 0.4552185 0.3049545), wk = 0.0030581 k( 214) = ( 0.3974359 0.4663214 0.3049545), wk = 0.0030581 k( 215) = ( 0.3910256 0.4774243 0.3049545), wk = 0.0030581 k( 216) = ( 0.3846154 0.4885271 0.3049545), wk = 0.0030581 k( 217) = ( 0.3782051 0.4996300 0.3049545), wk = 0.0030581 k( 218) = ( 0.3717949 0.5107329 0.3049545), wk = 0.0030581 k( 219) = ( 0.3653846 0.5218358 0.3049545), wk = 0.0030581 k( 220) = ( 0.3589744 0.5329387 0.3049545), wk = 0.0030581 k( 221) = ( 0.3525641 0.5440416 0.3049545), wk = 0.0030581 k( 222) = ( 0.3461538 0.5551445 0.3049545), wk = 0.0030581 k( 223) = ( 0.3397436 0.5662474 0.3049545), wk = 0.0030581 k( 224) = ( 0.3333333 0.5773503 0.3049545), wk = 0.0030581 k( 225) = ( 0.3333333 0.5773503 0.3049545), wk = 0.0030581 k( 226) = ( 0.3269231 0.5662474 0.3049545), wk = 0.0030581 k( 227) = ( 0.3205128 0.5551445 0.3049545), wk = 0.0030581 k( 228) = ( 0.3141026 0.5440416 0.3049545), wk = 0.0030581 k( 229) = ( 0.3076923 0.5329387 0.3049545), wk = 0.0030581 k( 230) = ( 0.3012821 0.5218358 0.3049545), wk = 0.0030581 k( 231) = ( 0.2948718 0.5107329 0.3049545), wk = 0.0030581 k( 232) = ( 0.2884615 0.4996300 0.3049545), wk = 0.0030581 k( 233) = ( 0.2820513 0.4885271 0.3049545), wk = 0.0030581 k( 234) = ( 0.2756410 0.4774243 0.3049545), wk = 0.0030581 k( 235) = ( 0.2692308 0.4663214 0.3049545), wk = 0.0030581 k( 236) = ( 0.2628205 0.4552185 0.3049545), wk = 0.0030581 k( 237) = ( 0.2564103 0.4441156 0.3049545), wk = 0.0030581 k( 238) = ( 0.2500000 0.4330127 0.3049545), wk = 0.0030581 k( 239) = ( 0.2435897 0.4219098 0.3049545), wk = 0.0030581 k( 240) = ( 0.2371795 0.4108069 0.3049545), wk = 0.0030581 k( 241) = ( 0.2307692 0.3997040 0.3049545), wk = 0.0030581 k( 242) = ( 0.2243590 0.3886011 0.3049545), wk = 0.0030581 k( 243) = ( 0.2179487 0.3774983 0.3049545), wk = 0.0030581 k( 244) = ( 0.2115385 0.3663954 0.3049545), wk = 0.0030581 k( 245) = ( 0.2051282 0.3552925 0.3049545), wk = 0.0030581 k( 246) = ( 0.1987180 0.3441896 0.3049545), wk = 0.0030581 k( 247) = ( 0.1923077 0.3330867 0.3049545), wk = 0.0030581 k( 248) = ( 0.1858974 0.3219838 0.3049545), wk = 0.0030581 k( 249) = ( 0.1794872 0.3108809 0.3049545), wk = 0.0030581 k( 250) = ( 0.1730769 0.2997780 0.3049545), wk = 0.0030581 k( 251) = ( 0.1666667 0.2886751 0.3049545), wk = 0.0030581 k( 252) = ( 0.1602564 0.2775722 0.3049545), wk = 0.0030581 k( 253) = ( 0.1538461 0.2664693 0.3049545), wk = 0.0030581 k( 254) = ( 0.1474359 0.2553665 0.3049545), wk = 0.0030581 k( 255) = ( 0.1410256 0.2442636 0.3049545), wk = 0.0030581 k( 256) = ( 0.1346154 0.2331607 0.3049545), wk = 0.0030581 k( 257) = ( 0.1282051 0.2220578 0.3049545), wk = 0.0030581 k( 258) = ( 0.1217949 0.2109549 0.3049545), wk = 0.0030581 k( 259) = ( 0.1153846 0.1998520 0.3049545), wk = 0.0030581 k( 260) = ( 0.1089744 0.1887491 0.3049545), wk = 0.0030581 k( 261) = ( 0.1025641 0.1776462 0.3049545), wk = 0.0030581 k( 262) = ( 0.0961538 0.1665434 0.3049545), wk = 0.0030581 k( 263) = ( 0.0897436 0.1554405 0.3049545), wk = 0.0030581 k( 264) = ( 0.0833333 0.1443376 0.3049545), wk = 0.0030581 k( 265) = ( 0.0769231 0.1332347 0.3049545), wk = 0.0030581 k( 266) = ( 0.0705128 0.1221318 0.3049545), wk = 0.0030581 k( 267) = ( 0.0641026 0.1110289 0.3049545), wk = 0.0030581 k( 268) = ( 0.0576923 0.0999260 0.3049545), wk = 0.0030581 k( 269) = ( 0.0512821 0.0888231 0.3049545), wk = 0.0030581 k( 270) = ( 0.0448718 0.0777202 0.3049545), wk = 0.0030581 k( 271) = ( 0.0384615 0.0666173 0.3049545), wk = 0.0030581 k( 272) = ( 0.0320513 0.0555144 0.3049545), wk = 0.0030581 k( 273) = ( 0.0256410 0.0444116 0.3049545), wk = 0.0030581 k( 274) = ( 0.0192308 0.0333087 0.3049545), wk = 0.0030581 k( 275) = ( 0.0128205 0.0222058 0.3049545), wk = 0.0030581 k( 276) = ( 0.0064103 0.0111029 0.3049545), wk = 0.0030581 k( 277) = ( 0.0000000 0.0000000 0.3049545), wk = 0.0030581 k( 278) = ( 0.5000000 0.2886751 0.3049545), wk = 0.0030581 k( 279) = ( 0.5000000 0.2886751 0.2922480), wk = 0.0030581 k( 280) = ( 0.5000000 0.2886751 0.2795416), wk = 0.0030581 k( 281) = ( 0.5000000 0.2886751 0.2668352), wk = 0.0030581 k( 282) = ( 0.5000000 0.2886751 0.2541287), wk = 0.0030581 k( 283) = ( 0.5000000 0.2886751 0.2414223), wk = 0.0030581 k( 284) = ( 0.5000000 0.2886751 0.2287159), wk = 0.0030581 k( 285) = ( 0.5000000 0.2886751 0.2160094), wk = 0.0030581 k( 286) = ( 0.5000000 0.2886751 0.2033030), wk = 0.0030581 k( 287) = ( 0.5000000 0.2886751 0.1905966), wk = 0.0030581 k( 288) = ( 0.5000000 0.2886751 0.1778901), wk = 0.0030581 k( 289) = ( 0.5000000 0.2886751 0.1651837), wk = 0.0030581 k( 290) = ( 0.5000000 0.2886751 0.1524772), wk = 0.0030581 k( 291) = ( 0.5000000 0.2886751 0.1397708), wk = 0.0030581 k( 292) = ( 0.5000000 0.2886751 0.1270644), wk = 0.0030581 k( 293) = ( 0.5000000 0.2886751 0.1143579), wk = 0.0030581 k( 294) = ( 0.5000000 0.2886751 0.1016515), wk = 0.0030581 k( 295) = ( 0.5000000 0.2886751 0.0889451), wk = 0.0030581 k( 296) = ( 0.5000000 0.2886751 0.0762386), wk = 0.0030581 k( 297) = ( 0.5000000 0.2886751 0.0635322), wk = 0.0030581 k( 298) = ( 0.5000000 0.2886751 0.0508257), wk = 0.0030581 k( 299) = ( 0.5000000 0.2886751 0.0381193), wk = 0.0030581 k( 300) = ( 0.5000000 0.2886751 0.0254129), wk = 0.0030581 k( 301) = ( 0.5000000 0.2886751 0.0127064), wk = 0.0030581 k( 302) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030581 k( 303) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030581 k( 304) = ( 0.3333333 0.5773503 0.0127064), wk = 0.0030581 k( 305) = ( 0.3333333 0.5773503 0.0254129), wk = 0.0030581 k( 306) = ( 0.3333333 0.5773503 0.0381193), wk = 0.0030581 k( 307) = ( 0.3333333 0.5773503 0.0508257), wk = 0.0030581 k( 308) = ( 0.3333333 0.5773503 0.0635322), wk = 0.0030581 k( 309) = ( 0.3333333 0.5773503 0.0762386), wk = 0.0030581 k( 310) = ( 0.3333333 0.5773503 0.0889451), wk = 0.0030581 k( 311) = ( 0.3333333 0.5773503 0.1016515), wk = 0.0030581 k( 312) = ( 0.3333333 0.5773503 0.1143579), wk = 0.0030581 k( 313) = ( 0.3333333 0.5773503 0.1270644), wk = 0.0030581 k( 314) = ( 0.3333333 0.5773503 0.1397708), wk = 0.0030581 k( 315) = ( 0.3333333 0.5773503 0.1524772), wk = 0.0030581 k( 316) = ( 0.3333333 0.5773503 0.1651837), wk = 0.0030581 k( 317) = ( 0.3333333 0.5773503 0.1778901), wk = 0.0030581 k( 318) = ( 0.3333333 0.5773503 0.1905966), wk = 0.0030581 k( 319) = ( 0.3333333 0.5773503 0.2033030), wk = 0.0030581 k( 320) = ( 0.3333333 0.5773503 0.2160094), wk = 0.0030581 k( 321) = ( 0.3333333 0.5773503 0.2287159), wk = 0.0030581 k( 322) = ( 0.3333333 0.5773503 0.2414223), wk = 0.0030581 k( 323) = ( 0.3333333 0.5773503 0.2541287), wk = 0.0030581 k( 324) = ( 0.3333333 0.5773503 0.2668352), wk = 0.0030581 k( 325) = ( 0.3333333 0.5773503 0.2795416), wk = 0.0030581 k( 326) = ( 0.3333333 0.5773503 0.2922480), wk = 0.0030581 k( 327) = ( 0.3333333 0.5773503 0.3049545), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0030581 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0030581 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0030581 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0030581 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0030581 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0030581 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0030581 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0030581 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030581 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0030581 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0030581 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0030581 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0030581 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0030581 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0030581 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0030581 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0030581 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030581 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0030581 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0030581 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0030581 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0030581 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0030581 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0030581 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0030581 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0030581 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030581 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0030581 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0030581 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0030581 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0030581 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0030581 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0030581 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0030581 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0030581 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030581 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0030581 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0030581 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0030581 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0030581 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0030581 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0030581 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0030581 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0030581 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0030581 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030581 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0030581 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0030581 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0030581 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030581 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0030581 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0030581 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0030581 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0030581 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0030581 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0030581 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030581 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0030581 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0030581 k( 63) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030581 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0030581 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0030581 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030581 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0030581 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030581 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0030581 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030581 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030581 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0030581 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030581 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030581 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0030581 k( 76) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0030581 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0030581 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0030581 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0030581 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0030581 k( 81) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0030581 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0030581 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0030581 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0030581 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0030581 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0030581 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030581 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0030581 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0030581 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0030581 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0030581 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0030581 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0030581 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0030581 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0030581 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0030581 k( 97) = ( 0.1858974 0.1858974 -0.0000000), wk = 0.0030581 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0030581 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0030581 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030581 k( 101) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0030581 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0030581 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0030581 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0030581 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0030581 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0030581 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0030581 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0030581 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0030581 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0030581 k( 111) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0030581 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0030581 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030581 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0030581 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0030581 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0030581 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0030581 k( 118) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0030581 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0030581 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0030581 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0030581 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0030581 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0030581 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0030581 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0030581 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 128) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030581 k( 129) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030581 k( 130) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030581 k( 131) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030581 k( 132) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030581 k( 133) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030581 k( 134) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030581 k( 135) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030581 k( 136) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030581 k( 137) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030581 k( 138) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030581 k( 139) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030581 k( 140) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030581 k( 141) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030581 k( 142) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030581 k( 143) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030581 k( 144) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030581 k( 145) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030581 k( 146) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030581 k( 147) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030581 k( 150) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030581 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 153) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0030581 k( 154) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0030581 k( 155) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0030581 k( 156) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0030581 k( 157) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0030581 k( 158) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0030581 k( 159) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0030581 k( 160) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0030581 k( 161) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0030581 k( 162) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0030581 k( 163) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0030581 k( 164) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0030581 k( 165) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0030581 k( 166) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0030581 k( 167) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0030581 k( 168) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0030581 k( 169) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0030581 k( 170) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0030581 k( 171) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0030581 k( 172) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0030581 k( 173) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0030581 k( 174) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0030581 k( 175) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0030581 k( 176) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0030581 k( 177) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0030581 k( 178) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0030581 k( 179) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0030581 k( 180) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0030581 k( 181) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0030581 k( 182) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0030581 k( 183) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0030581 k( 184) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0030581 k( 185) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0030581 k( 186) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0030581 k( 187) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0030581 k( 188) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0030581 k( 189) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0030581 k( 190) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0030581 k( 191) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0030581 k( 192) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0030581 k( 193) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0030581 k( 194) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0030581 k( 195) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0030581 k( 196) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0030581 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 199) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030581 k( 200) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030581 k( 201) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030581 k( 202) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0030581 k( 203) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030581 k( 204) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030581 k( 205) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030581 k( 206) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030581 k( 207) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030581 k( 208) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030581 k( 209) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030581 k( 210) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0030581 k( 211) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030581 k( 212) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030581 k( 213) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030581 k( 214) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030581 k( 215) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030581 k( 216) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030581 k( 217) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030581 k( 218) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030581 k( 219) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030581 k( 220) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030581 k( 221) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030581 k( 222) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030581 k( 223) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030581 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030581 k( 225) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030581 k( 226) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0030581 k( 227) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0030581 k( 228) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0030581 k( 229) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0030581 k( 230) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0030581 k( 231) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0030581 k( 232) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0030581 k( 233) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0030581 k( 234) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0030581 k( 235) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0030581 k( 236) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0030581 k( 237) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0030581 k( 238) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030581 k( 239) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0030581 k( 240) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0030581 k( 241) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0030581 k( 242) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0030581 k( 243) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0030581 k( 244) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0030581 k( 245) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0030581 k( 246) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0030581 k( 247) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0030581 k( 248) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0030581 k( 249) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0030581 k( 250) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0030581 k( 251) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030581 k( 252) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0030581 k( 253) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0030581 k( 254) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0030581 k( 255) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0030581 k( 256) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0030581 k( 257) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0030581 k( 258) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0030581 k( 259) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0030581 k( 260) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0030581 k( 261) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0030581 k( 262) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0030581 k( 263) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0030581 k( 264) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030581 k( 265) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0030581 k( 266) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0030581 k( 267) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0030581 k( 268) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0030581 k( 269) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0030581 k( 270) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0030581 k( 271) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0030581 k( 272) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0030581 k( 273) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0030581 k( 274) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0030581 k( 275) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0030581 k( 276) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0030581 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 278) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 279) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0030581 k( 280) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030581 k( 281) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030581 k( 282) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030581 k( 283) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0030581 k( 284) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030581 k( 285) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0030581 k( 286) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030581 k( 287) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030581 k( 288) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030581 k( 289) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0030581 k( 290) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030581 k( 291) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0030581 k( 292) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030581 k( 293) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030581 k( 294) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030581 k( 295) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0030581 k( 296) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030581 k( 297) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0030581 k( 298) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030581 k( 299) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030581 k( 300) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030581 k( 301) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0030581 k( 302) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 303) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030581 k( 304) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030581 k( 305) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030581 k( 306) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030581 k( 307) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030581 k( 308) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030581 k( 309) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030581 k( 310) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030581 k( 311) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030581 k( 312) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030581 k( 313) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030581 k( 314) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030581 k( 315) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030581 k( 316) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030581 k( 317) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030581 k( 318) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030581 k( 319) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030581 k( 320) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030581 k( 321) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030581 k( 322) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030581 k( 323) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030581 k( 324) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030581 k( 325) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030581 k( 326) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030581 k( 327) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030581 Dense grid: 63067 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 464, 50) NL pseudopotentials 0.48 Mb ( 232, 136) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1754) G-vector shells 0.01 Mb ( 711) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.42 Mb ( 464, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./MnTe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.6 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.9 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.3 secs Computing kpt #: 20 total cpu time spent up to now is 16.0 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.4 secs Computing kpt #: 23 total cpu time spent up to now is 18.2 secs Computing kpt #: 24 total cpu time spent up to now is 18.8 secs Computing kpt #: 25 total cpu time spent up to now is 19.6 secs Computing kpt #: 26 total cpu time spent up to now is 20.2 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.7 secs Computing kpt #: 29 total cpu time spent up to now is 22.4 secs Computing kpt #: 30 total cpu time spent up to now is 23.1 secs Computing kpt #: 31 total cpu time spent up to now is 23.8 secs Computing kpt #: 32 total cpu time spent up to now is 24.5 secs Computing kpt #: 33 total cpu time spent up to now is 25.2 secs Computing kpt #: 34 total cpu time spent up to now is 25.9 secs Computing kpt #: 35 total cpu time spent up to now is 26.6 secs Computing kpt #: 36 total cpu time spent up to now is 27.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.0 secs Computing kpt #: 38 total cpu time spent up to now is 28.6 secs Computing kpt #: 39 total cpu time spent up to now is 29.4 secs Computing kpt #: 40 total cpu time spent up to now is 30.1 secs Computing kpt #: 41 total cpu time spent up to now is 30.8 secs Computing kpt #: 42 total cpu time spent up to now is 31.5 secs Computing kpt #: 43 total cpu time spent up to now is 32.2 secs Computing kpt #: 44 total cpu time spent up to now is 32.9 secs Computing kpt #: 45 total cpu time spent up to now is 33.6 secs Computing kpt #: 46 total cpu time spent up to now is 34.2 secs Computing kpt #: 47 total cpu time spent up to now is 35.0 secs Computing kpt #: 48 total cpu time spent up to now is 35.7 secs Computing kpt #: 49 total cpu time spent up to now is 36.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.2 secs Computing kpt #: 51 total cpu time spent up to now is 37.9 secs Computing kpt #: 52 total cpu time spent up to now is 38.6 secs Computing kpt #: 53 total cpu time spent up to now is 39.4 secs Computing kpt #: 54 total cpu time spent up to now is 40.1 secs Computing kpt #: 55 total cpu time spent up to now is 40.8 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.3 secs Computing kpt #: 58 total cpu time spent up to now is 43.0 secs Computing kpt #: 59 total cpu time spent up to now is 43.8 secs Computing kpt #: 60 total cpu time spent up to now is 44.5 secs Computing kpt #: 61 total cpu time spent up to now is 45.2 secs Computing kpt #: 62 total cpu time spent up to now is 46.0 secs Computing kpt #: 63 total cpu time spent up to now is 46.7 secs Computing kpt #: 64 total cpu time spent up to now is 47.4 secs Computing kpt #: 65 total cpu time spent up to now is 48.2 secs Computing kpt #: 66 total cpu time spent up to now is 49.0 secs Computing kpt #: 67 total cpu time spent up to now is 49.7 secs Computing kpt #: 68 total cpu time spent up to now is 50.5 secs Computing kpt #: 69 total cpu time spent up to now is 51.2 secs Computing kpt #: 70 total cpu time spent up to now is 52.0 secs Computing kpt #: 71 total cpu time spent up to now is 52.7 secs Computing kpt #: 72 total cpu time spent up to now is 53.5 secs Computing kpt #: 73 total cpu time spent up to now is 54.2 secs Computing kpt #: 74 total cpu time spent up to now is 55.0 secs Computing kpt #: 75 total cpu time spent up to now is 55.7 secs Computing kpt #: 76 total cpu time spent up to now is 56.5 secs Computing kpt #: 77 total cpu time spent up to now is 57.2 secs Computing kpt #: 78 total cpu time spent up to now is 58.0 secs Computing kpt #: 79 total cpu time spent up to now is 58.7 secs Computing kpt #: 80 total cpu time spent up to now is 59.5 secs Computing kpt #: 81 total cpu time spent up to now is 60.2 secs Computing kpt #: 82 total cpu time spent up to now is 61.2 secs Computing kpt #: 83 total cpu time spent up to now is 62.1 secs Computing kpt #: 84 total cpu time spent up to now is 62.9 secs Computing kpt #: 85 total cpu time spent up to now is 63.6 secs Computing kpt #: 86 total cpu time spent up to now is 64.4 secs Computing kpt #: 87 total cpu time spent up to now is 65.2 secs Computing kpt #: 88 total cpu time spent up to now is 66.0 secs Computing kpt #: 89 total cpu time spent up to now is 66.8 secs Computing kpt #: 90 total cpu time spent up to now is 67.5 secs Computing kpt #: 91 total cpu time spent up to now is 68.3 secs Computing kpt #: 92 total cpu time spent up to now is 69.1 secs Computing kpt #: 93 total cpu time spent up to now is 69.8 secs Computing kpt #: 94 total cpu time spent up to now is 70.6 secs Computing kpt #: 95 total cpu time spent up to now is 71.4 secs Computing kpt #: 96 total cpu time spent up to now is 72.1 secs Computing kpt #: 97 total cpu time spent up to now is 72.8 secs Computing kpt #: 98 total cpu time spent up to now is 73.6 secs Computing kpt #: 99 total cpu time spent up to now is 74.3 secs Computing kpt #: 100 total cpu time spent up to now is 75.0 secs Computing kpt #: 101 total cpu time spent up to now is 75.7 secs Computing kpt #: 102 total cpu time spent up to now is 76.4 secs Computing kpt #: 103 total cpu time spent up to now is 77.2 secs Computing kpt #: 104 total cpu time spent up to now is 77.8 secs Computing kpt #: 105 total cpu time spent up to now is 78.5 secs Computing kpt #: 106 total cpu time spent up to now is 79.2 secs Computing kpt #: 107 total cpu time spent up to now is 79.9 secs Computing kpt #: 108 total cpu time spent up to now is 80.6 secs Computing kpt #: 109 total cpu time spent up to now is 81.4 secs Computing kpt #: 110 total cpu time spent up to now is 82.0 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.4 secs Computing kpt #: 113 total cpu time spent up to now is 84.1 secs Computing kpt #: 114 total cpu time spent up to now is 84.8 secs Computing kpt #: 115 total cpu time spent up to now is 85.6 secs Computing kpt #: 116 total cpu time spent up to now is 86.3 secs Computing kpt #: 117 total cpu time spent up to now is 87.0 secs Computing kpt #: 118 total cpu time spent up to now is 87.7 secs Computing kpt #: 119 total cpu time spent up to now is 88.4 secs Computing kpt #: 120 total cpu time spent up to now is 89.2 secs Computing kpt #: 121 total cpu time spent up to now is 89.9 secs Computing kpt #: 122 total cpu time spent up to now is 90.6 secs Computing kpt #: 123 total cpu time spent up to now is 91.4 secs Computing kpt #: 124 total cpu time spent up to now is 92.1 secs Computing kpt #: 125 total cpu time spent up to now is 92.8 secs Computing kpt #: 126 total cpu time spent up to now is 93.6 secs Computing kpt #: 127 total cpu time spent up to now is 94.4 secs Computing kpt #: 128 total cpu time spent up to now is 95.1 secs Computing kpt #: 129 total cpu time spent up to now is 95.8 secs Computing kpt #: 130 total cpu time spent up to now is 96.6 secs Computing kpt #: 131 total cpu time spent up to now is 97.3 secs Computing kpt #: 132 total cpu time spent up to now is 98.0 secs Computing kpt #: 133 total cpu time spent up to now is 98.7 secs Computing kpt #: 134 total cpu time spent up to now is 99.4 secs Computing kpt #: 135 total cpu time spent up to now is 100.1 secs Computing kpt #: 136 total cpu time spent up to now is 100.8 secs Computing kpt #: 137 total cpu time spent up to now is 101.5 secs Computing kpt #: 138 total cpu time spent up to now is 102.2 secs Computing kpt #: 139 total cpu time spent up to now is 102.8 secs Computing kpt #: 140 total cpu time spent up to now is 103.5 secs Computing kpt #: 141 total cpu time spent up to now is 104.2 secs Computing kpt #: 142 total cpu time spent up to now is 104.8 secs Computing kpt #: 143 total cpu time spent up to now is 105.5 secs Computing kpt #: 144 total cpu time spent up to now is 106.2 secs Computing kpt #: 145 total cpu time spent up to now is 106.9 secs Computing kpt #: 146 total cpu time spent up to now is 107.6 secs Computing kpt #: 147 total cpu time spent up to now is 108.2 secs Computing kpt #: 148 total cpu time spent up to now is 108.9 secs Computing kpt #: 149 total cpu time spent up to now is 109.6 secs Computing kpt #: 150 total cpu time spent up to now is 110.2 secs Computing kpt #: 151 total cpu time spent up to now is 111.0 secs Computing kpt #: 152 total cpu time spent up to now is 111.8 secs Computing kpt #: 153 total cpu time spent up to now is 112.6 secs Computing kpt #: 154 total cpu time spent up to now is 113.3 secs Computing kpt #: 155 total cpu time spent up to now is 114.1 secs Computing kpt #: 156 total cpu time spent up to now is 114.8 secs Computing kpt #: 157 total cpu time spent up to now is 115.6 secs Computing kpt #: 158 total cpu time spent up to now is 116.3 secs Computing kpt #: 159 total cpu time spent up to now is 117.1 secs Computing kpt #: 160 total cpu time spent up to now is 117.9 secs Computing kpt #: 161 total cpu time spent up to now is 118.7 secs Computing kpt #: 162 total cpu time spent up to now is 119.4 secs Computing kpt #: 163 total cpu time spent up to now is 120.2 secs Computing kpt #: 164 total cpu time spent up to now is 121.1 secs Computing kpt #: 165 total cpu time spent up to now is 121.8 secs Computing kpt #: 166 total cpu time spent up to now is 122.6 secs Computing kpt #: 167 total cpu time spent up to now is 123.4 secs Computing kpt #: 168 total cpu time spent up to now is 124.2 secs Computing kpt #: 169 total cpu time spent up to now is 124.9 secs Computing kpt #: 170 total cpu time spent up to now is 125.7 secs Computing kpt #: 171 total cpu time spent up to now is 126.4 secs Computing kpt #: 172 total cpu time spent up to now is 127.1 secs Computing kpt #: 173 total cpu time spent up to now is 127.9 secs Computing kpt #: 174 total cpu time spent up to now is 128.7 secs Computing kpt #: 175 total cpu time spent up to now is 129.5 secs Computing kpt #: 176 total cpu time spent up to now is 130.2 secs Computing kpt #: 177 total cpu time spent up to now is 131.0 secs Computing kpt #: 178 total cpu time spent up to now is 131.8 secs Computing kpt #: 179 total cpu time spent up to now is 132.6 secs Computing kpt #: 180 total cpu time spent up to now is 133.4 secs Computing kpt #: 181 total cpu time spent up to now is 134.2 secs Computing kpt #: 182 total cpu time spent up to now is 135.0 secs Computing kpt #: 183 total cpu time spent up to now is 135.7 secs Computing kpt #: 184 total cpu time spent up to now is 136.5 secs Computing kpt #: 185 total cpu time spent up to now is 137.3 secs Computing kpt #: 186 total cpu time spent up to now is 138.1 secs Computing kpt #: 187 total cpu time spent up to now is 138.8 secs Computing kpt #: 188 total cpu time spent up to now is 139.8 secs Computing kpt #: 189 total cpu time spent up to now is 140.6 secs Computing kpt #: 190 total cpu time spent up to now is 141.7 secs Computing kpt #: 191 total cpu time spent up to now is 142.5 secs Computing kpt #: 192 total cpu time spent up to now is 143.6 secs Computing kpt #: 193 total cpu time spent up to now is 144.6 secs Computing kpt #: 194 total cpu time spent up to now is 145.5 secs Computing kpt #: 195 total cpu time spent up to now is 146.3 secs Computing kpt #: 196 total cpu time spent up to now is 147.0 secs Computing kpt #: 197 total cpu time spent up to now is 147.8 secs Computing kpt #: 198 total cpu time spent up to now is 148.6 secs Computing kpt #: 199 total cpu time spent up to now is 149.6 secs Computing kpt #: 200 total cpu time spent up to now is 150.3 secs Computing kpt #: 201 total cpu time spent up to now is 151.1 secs Computing kpt #: 202 total cpu time spent up to now is 151.8 secs Computing kpt #: 203 total cpu time spent up to now is 152.6 secs Computing kpt #: 204 total cpu time spent up to now is 153.3 secs Computing kpt #: 205 total cpu time spent up to now is 154.0 secs Computing kpt #: 206 total cpu time spent up to now is 154.8 secs Computing kpt #: 207 total cpu time spent up to now is 155.5 secs Computing kpt #: 208 total cpu time spent up to now is 156.3 secs Computing kpt #: 209 total cpu time spent up to now is 157.0 secs Computing kpt #: 210 total cpu time spent up to now is 157.8 secs Computing kpt #: 211 total cpu time spent up to now is 158.5 secs Computing kpt #: 212 total cpu time spent up to now is 159.3 secs Computing kpt #: 213 total cpu time spent up to now is 160.0 secs Computing kpt #: 214 total cpu time spent up to now is 160.8 secs Computing kpt #: 215 total cpu time spent up to now is 161.5 secs Computing kpt #: 216 total cpu time spent up to now is 162.3 secs Computing kpt #: 217 total cpu time spent up to now is 163.0 secs Computing kpt #: 218 total cpu time spent up to now is 163.8 secs Computing kpt #: 219 total cpu time spent up to now is 164.6 secs Computing kpt #: 220 total cpu time spent up to now is 165.3 secs Computing kpt #: 221 total cpu time spent up to now is 166.1 secs Computing kpt #: 222 total cpu time spent up to now is 166.9 secs Computing kpt #: 223 total cpu time spent up to now is 167.6 secs Computing kpt #: 224 total cpu time spent up to now is 168.4 secs Computing kpt #: 225 total cpu time spent up to now is 169.3 secs Computing kpt #: 226 total cpu time spent up to now is 170.1 secs Computing kpt #: 227 total cpu time spent up to now is 170.9 secs Computing kpt #: 228 total cpu time spent up to now is 171.7 secs Computing kpt #: 229 total cpu time spent up to now is 172.4 secs Computing kpt #: 230 total cpu time spent up to now is 173.3 secs Computing kpt #: 231 total cpu time spent up to now is 174.1 secs Computing kpt #: 232 total cpu time spent up to now is 174.9 secs Computing kpt #: 233 total cpu time spent up to now is 175.7 secs Computing kpt #: 234 total cpu time spent up to now is 176.5 secs Computing kpt #: 235 total cpu time spent up to now is 177.3 secs Computing kpt #: 236 total cpu time spent up to now is 178.1 secs Computing kpt #: 237 total cpu time spent up to now is 178.9 secs Computing kpt #: 238 total cpu time spent up to now is 179.6 secs Computing kpt #: 239 total cpu time spent up to now is 180.4 secs Computing kpt #: 240 total cpu time spent up to now is 181.1 secs Computing kpt #: 241 total cpu time spent up to now is 181.9 secs Computing kpt #: 242 total cpu time spent up to now is 182.8 secs Computing kpt #: 243 total cpu time spent up to now is 183.5 secs Computing kpt #: 244 total cpu time spent up to now is 184.3 secs Computing kpt #: 245 total cpu time spent up to now is 185.1 secs Computing kpt #: 246 total cpu time spent up to now is 186.1 secs Computing kpt #: 247 total cpu time spent up to now is 187.0 secs Computing kpt #: 248 total cpu time spent up to now is 187.7 secs Computing kpt #: 249 total cpu time spent up to now is 188.5 secs Computing kpt #: 250 total cpu time spent up to now is 189.3 secs Computing kpt #: 251 total cpu time spent up to now is 190.1 secs Computing kpt #: 252 total cpu time spent up to now is 190.9 secs Computing kpt #: 253 total cpu time spent up to now is 191.6 secs Computing kpt #: 254 total cpu time spent up to now is 192.4 secs Computing kpt #: 255 total cpu time spent up to now is 193.1 secs Computing kpt #: 256 total cpu time spent up to now is 193.9 secs Computing kpt #: 257 total cpu time spent up to now is 194.7 secs Computing kpt #: 258 total cpu time spent up to now is 195.5 secs Computing kpt #: 259 total cpu time spent up to now is 196.3 secs Computing kpt #: 260 total cpu time spent up to now is 197.1 secs Computing kpt #: 261 total cpu time spent up to now is 197.8 secs Computing kpt #: 262 total cpu time spent up to now is 198.5 secs Computing kpt #: 263 total cpu time spent up to now is 199.3 secs Computing kpt #: 264 total cpu time spent up to now is 200.1 secs Computing kpt #: 265 total cpu time spent up to now is 200.8 secs Computing kpt #: 266 total cpu time spent up to now is 201.5 secs Computing kpt #: 267 total cpu time spent up to now is 202.3 secs Computing kpt #: 268 total cpu time spent up to now is 203.0 secs Computing kpt #: 269 total cpu time spent up to now is 203.8 secs Computing kpt #: 270 total cpu time spent up to now is 204.5 secs Computing kpt #: 271 total cpu time spent up to now is 205.3 secs Computing kpt #: 272 total cpu time spent up to now is 206.1 secs Computing kpt #: 273 total cpu time spent up to now is 206.9 secs Computing kpt #: 274 total cpu time spent up to now is 207.6 secs Computing kpt #: 275 total cpu time spent up to now is 208.4 secs Computing kpt #: 276 total cpu time spent up to now is 209.2 secs Computing kpt #: 277 total cpu time spent up to now is 210.0 secs Computing kpt #: 278 total cpu time spent up to now is 210.8 secs Computing kpt #: 279 total cpu time spent up to now is 211.5 secs Computing kpt #: 280 total cpu time spent up to now is 212.3 secs Computing kpt #: 281 total cpu time spent up to now is 213.0 secs Computing kpt #: 282 total cpu time spent up to now is 213.8 secs Computing kpt #: 283 total cpu time spent up to now is 214.5 secs Computing kpt #: 284 total cpu time spent up to now is 215.3 secs Computing kpt #: 285 total cpu time spent up to now is 216.1 secs Computing kpt #: 286 total cpu time spent up to now is 216.9 secs Computing kpt #: 287 total cpu time spent up to now is 217.7 secs Computing kpt #: 288 total cpu time spent up to now is 218.4 secs Computing kpt #: 289 total cpu time spent up to now is 219.1 secs Computing kpt #: 290 total cpu time spent up to now is 219.9 secs Computing kpt #: 291 total cpu time spent up to now is 220.7 secs Computing kpt #: 292 total cpu time spent up to now is 221.4 secs Computing kpt #: 293 total cpu time spent up to now is 222.1 secs Computing kpt #: 294 total cpu time spent up to now is 222.9 secs Computing kpt #: 295 total cpu time spent up to now is 223.6 secs Computing kpt #: 296 total cpu time spent up to now is 224.3 secs Computing kpt #: 297 total cpu time spent up to now is 225.0 secs Computing kpt #: 298 total cpu time spent up to now is 225.7 secs Computing kpt #: 299 total cpu time spent up to now is 226.5 secs Computing kpt #: 300 total cpu time spent up to now is 227.2 secs Computing kpt #: 301 total cpu time spent up to now is 227.9 secs Computing kpt #: 302 total cpu time spent up to now is 228.6 secs Computing kpt #: 303 total cpu time spent up to now is 229.4 secs Computing kpt #: 304 total cpu time spent up to now is 230.1 secs Computing kpt #: 305 total cpu time spent up to now is 230.9 secs Computing kpt #: 306 total cpu time spent up to now is 231.7 secs Computing kpt #: 307 total cpu time spent up to now is 232.6 secs Computing kpt #: 308 total cpu time spent up to now is 233.3 secs Computing kpt #: 309 total cpu time spent up to now is 234.1 secs Computing kpt #: 310 total cpu time spent up to now is 234.8 secs Computing kpt #: 311 total cpu time spent up to now is 235.6 secs Computing kpt #: 312 total cpu time spent up to now is 236.3 secs Computing kpt #: 313 total cpu time spent up to now is 237.1 secs Computing kpt #: 314 total cpu time spent up to now is 237.9 secs Computing kpt #: 315 total cpu time spent up to now is 238.7 secs Computing kpt #: 316 total cpu time spent up to now is 239.5 secs Computing kpt #: 317 total cpu time spent up to now is 240.3 secs Computing kpt #: 318 total cpu time spent up to now is 241.0 secs Computing kpt #: 319 total cpu time spent up to now is 241.8 secs Computing kpt #: 320 total cpu time spent up to now is 242.6 secs Computing kpt #: 321 total cpu time spent up to now is 243.4 secs Computing kpt #: 322 total cpu time spent up to now is 244.1 secs Computing kpt #: 323 total cpu time spent up to now is 244.9 secs Computing kpt #: 324 total cpu time spent up to now is 245.7 secs Computing kpt #: 325 total cpu time spent up to now is 246.5 secs Computing kpt #: 326 total cpu time spent up to now is 247.3 secs Computing kpt #: 327 total cpu time spent up to now is 248.1 secs ethr = 2.38E-08, avg # of iterations = 18.0 total cpu time spent up to now is 248.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7789 PWs) bands (ev): -69.6181 -69.6181 -69.6150 -69.6150 -39.4413 -39.4413 -39.4384 -39.4384 -38.2560 -38.2560 -38.2517 -38.2517 -38.2310 -38.2310 -38.2288 -38.2288 -4.1296 -4.1296 -3.1080 -3.1080 3.2231 3.2231 5.1792 5.1792 5.3557 5.3557 5.6559 5.6559 5.6900 5.6900 5.7670 5.7670 7.8802 7.8802 7.8875 7.8875 8.1829 8.1829 8.2339 8.2339 8.3127 8.3127 10.2496 10.2496 10.4493 10.4493 11.1289 11.1289 11.7074 11.7074 k = 0.0111 0.0064-0.0000 ( 7799 PWs) bands (ev): -69.6186 -69.6186 -69.6157 -69.6157 -39.4414 -39.4413 -39.4384 -39.4384 -38.2561 -38.2560 -38.2517 -38.2517 -38.2311 -38.2311 -38.2288 -38.2288 -4.1288 -4.1288 -3.1076 -3.1073 3.2232 3.2251 5.1766 5.1790 5.3531 5.3558 5.6541 5.6542 5.6888 5.6888 5.7647 5.7680 7.8761 7.8775 7.8840 7.8841 8.1750 8.1858 8.2307 8.2317 8.3076 8.3183 10.2445 10.2451 10.4432 10.4432 11.1236 11.1283 11.6813 11.7121 k = 0.0222 0.0128-0.0000 ( 7843 PWs) bands (ev): -69.6216 -69.6216 -69.6181 -69.6181 -39.4415 -39.4413 -39.4385 -39.4384 -38.2562 -38.2561 -38.2518 -38.2518 -38.2312 -38.2312 -38.2289 -38.2289 -4.1261 -4.1261 -3.1061 -3.1054 3.2254 3.2292 5.1702 5.1748 5.3466 5.3521 5.6471 5.6472 5.6837 5.6837 5.7611 5.7674 7.8633 7.8647 7.8754 7.8768 8.1600 8.1807 8.2192 8.2216 8.2988 8.3192 10.2266 10.2279 10.4227 10.4227 11.1119 11.1210 11.6332 11.6897 k = 0.0333 0.0192-0.0000 ( 7853 PWs) bands (ev): -69.6224 -69.6224 -69.6185 -69.6185 -39.4415 -39.4413 -39.4385 -39.4384 -38.2562 -38.2560 -38.2518 -38.2518 -38.2312 -38.2312 -38.2289 -38.2289 -4.1215 -4.1215 -3.1034 -3.1024 3.2299 3.2356 5.1635 5.1707 5.3387 5.3470 5.6401 5.6408 5.6780 5.6782 5.7594 5.7688 7.8587 7.8606 7.8716 7.8739 8.1531 8.1835 8.2158 8.2196 8.2963 8.3258 10.2016 10.2039 10.3949 10.3951 11.0996 11.1138 11.5772 11.6505 k = 0.0444 0.0257-0.0000 ( 7859 PWs) bands (ev): -69.6224 -69.6224 -69.6193 -69.6193 -39.4415 -39.4413 -39.4385 -39.4385 -38.2563 -38.2560 -38.2518 -38.2518 -38.2313 -38.2313 -38.2290 -38.2290 -4.1152 -4.1152 -3.0996 -3.0983 3.2365 3.2441 5.1557 5.1647 5.3275 5.3387 5.6323 5.6337 5.6698 5.6703 5.7582 5.7696 7.8551 7.8574 7.8682 7.8713 8.1481 8.1883 8.2135 8.2206 8.2967 8.3338 10.1660 10.1694 10.3569 10.3574 11.0843 11.1012 11.5153 11.5945 k = 0.0556 0.0321-0.0000 ( 7863 PWs) bands (ev): -69.6229 -69.6229 -69.6193 -69.6193 -39.4416 -39.4413 -39.4385 -39.4385 -38.2563 -38.2560 -38.2518 -38.2518 -38.2313 -38.2313 -38.2290 -38.2290 -4.1070 -4.1070 -3.0947 -3.0931 3.2452 3.2547 5.1456 5.1565 5.3150 5.3291 5.6224 5.6246 5.6625 5.6633 5.7583 5.7717 7.8473 7.8493 7.8648 7.8695 8.1402 8.1906 8.2069 8.2196 8.2973 8.3401 10.1246 10.1296 10.3175 10.3187 11.0660 11.0859 11.4482 11.5294 k = 0.0667 0.0385-0.0000 ( 7859 PWs) bands (ev): -69.6227 -69.6227 -69.6190 -69.6190 -39.4416 -39.4413 -39.4386 -39.4385 -38.2563 -38.2559 -38.2519 -38.2518 -38.2313 -38.2313 -38.2291 -38.2291 -4.0970 -4.0970 -3.0888 -3.0868 3.2560 3.2675 5.1336 5.1462 5.2999 5.3167 5.6119 5.6153 5.6546 5.6560 5.7587 5.7739 7.8428 7.8447 7.8625 7.8683 8.1330 8.1932 8.2002 8.2194 8.3004 8.3477 10.0751 10.0819 10.2741 10.2763 11.0432 11.0657 11.3814 11.4630 k = 0.0778 0.0449-0.0000 ( 7859 PWs) bands (ev): -69.6230 -69.6230 -69.6187 -69.6187 -39.4417 -39.4413 -39.4386 -39.4385 -38.2564 -38.2559 -38.2519 -38.2518 -38.2314 -38.2314 -38.2291 -38.2291 -4.0853 -4.0852 -3.0818 -3.0796 3.2689 3.2824 5.1188 5.1319 5.2815 5.3007 5.5994 5.6037 5.6472 5.6490 5.7606 5.7766 7.8322 7.8335 7.8603 7.8675 8.1253 8.1916 8.1965 8.2203 8.3039 8.3541 10.0169 10.0255 10.2296 10.2329 11.0168 11.0379 11.3140 11.3923 k = 0.0889 0.0513-0.0000 ( 7873 PWs) bands (ev): -69.6237 -69.6237 -69.6198 -69.6198 -39.4417 -39.4413 -39.4387 -39.4385 -38.2564 -38.2559 -38.2519 -38.2518 -38.2315 -38.2315 -38.2292 -38.2292 -4.0718 -4.0718 -3.0738 -3.0713 3.2838 3.2994 5.1000 5.1135 5.2590 5.2797 5.5847 5.5907 5.6383 5.6410 5.7621 5.7795 7.8185 7.8192 7.8536 7.8620 8.1155 8.1803 8.1990 8.2209 8.3080 8.3600 9.9481 9.9585 10.1799 10.1843 10.9816 11.0029 11.2473 11.3236 k = 0.1000 0.0577-0.0000 ( 7865 PWs) bands (ev): -69.6234 -69.6234 -69.6191 -69.6191 -39.4418 -39.4413 -39.4387 -39.4386 -38.2564 -38.2558 -38.2519 -38.2519 -38.2315 -38.2315 -38.2293 -38.2293 -4.0566 -4.0566 -3.0648 -3.0620 3.3007 3.3185 5.0790 5.0915 5.2350 5.2562 5.5708 5.5785 5.6323 5.6360 5.7653 5.7836 7.8071 7.8074 7.8542 7.8638 8.1080 8.1712 8.2033 8.2237 8.3150 8.3681 9.8786 9.8905 10.1315 10.1370 10.9440 10.9598 11.1886 11.2576 k = 0.1111 0.0642-0.0000 ( 7871 PWs) bands (ev): -69.6239 -69.6239 -69.6193 -69.6193 -39.4419 -39.4413 -39.4387 -39.4386 -38.2565 -38.2558 -38.2520 -38.2519 -38.2316 -38.2316 -38.2293 -38.2293 -4.0398 -4.0397 -3.0550 -3.0518 3.3195 3.3395 5.0538 5.0640 5.2082 5.2286 5.5563 5.5659 5.6266 5.6315 5.7688 5.7877 7.7920 7.7922 7.8509 7.8616 8.0959 8.1570 8.2041 8.2233 8.3190 8.3725 9.8044 9.8176 10.0809 10.0874 10.8987 10.9052 11.1346 11.1927 k = 0.1222 0.0706-0.0000 ( 7867 PWs) bands (ev): -69.6238 -69.6238 -69.6189 -69.6189 -39.4419 -39.4413 -39.4388 -39.4386 -38.2565 -38.2558 -38.2520 -38.2519 -38.2317 -38.2317 -38.2294 -38.2294 -4.0213 -4.0212 -3.0443 -3.0408 3.3403 3.3626 5.0249 5.0315 5.1796 5.1979 5.5423 5.5537 5.6225 5.6286 5.7733 5.7927 7.7750 7.7759 7.8486 7.8604 8.0892 8.1478 8.2076 8.2256 8.3273 8.3809 9.7308 9.7452 10.0290 10.0365 10.8411 10.8462 11.0863 11.1309 k = 0.1333 0.0770-0.0000 ( 7853 PWs) bands (ev): -69.6223 -69.6223 -69.6188 -69.6188 -39.4419 -39.4413 -39.4388 -39.4387 -38.2565 -38.2557 -38.2521 -38.2519 -38.2317 -38.2317 -38.2295 -38.2295 -4.0012 -4.0011 -3.0327 -3.0289 3.3630 3.3877 4.9923 4.9941 5.1483 5.1631 5.5304 5.5438 5.6199 5.6269 5.7783 5.7981 7.7614 7.7625 7.8490 7.8618 8.0832 8.1395 8.2144 8.2315 8.3384 8.3914 9.6532 9.6686 9.9770 9.9854 10.7701 10.7884 11.0421 11.0717 k = 0.1444 0.0834-0.0000 ( 7853 PWs) bands (ev): -69.6223 -69.6223 -69.6188 -69.6188 -39.4420 -39.4413 -39.4389 -39.4387 -38.2565 -38.2557 -38.2521 -38.2520 -38.2318 -38.2318 -38.2295 -38.2295 -3.9795 -3.9795 -3.0204 -3.0164 3.3873 3.4146 4.9506 4.9549 5.1149 5.1253 5.5183 5.5334 5.6177 5.6258 5.7828 5.8031 7.7438 7.7456 7.8468 7.8605 8.0742 8.1276 8.2178 8.2342 8.3466 8.3985 9.5763 9.5926 9.9229 9.9323 10.6912 10.7220 10.9988 11.0139 k = 0.1556 0.0898-0.0000 ( 7867 PWs) bands (ev): -69.6231 -69.6231 -69.6198 -69.6198 -39.4421 -39.4413 -39.4390 -39.4388 -38.2566 -38.2557 -38.2522 -38.2520 -38.2319 -38.2319 -38.2297 -38.2297 -3.9564 -3.9563 -3.0074 -3.0031 3.4133 3.4433 4.9017 4.9124 5.0785 5.0840 5.5069 5.5233 5.6161 5.6249 5.7872 5.8080 7.7227 7.7252 7.8437 7.8582 8.0627 8.1134 8.2176 8.2335 8.3532 8.4039 9.4943 9.5115 9.8654 9.8756 10.6069 10.6474 10.9545 10.9578 k = 0.1667 0.0962-0.0000 ( 7877 PWs) bands (ev): -69.6235 -69.6235 -69.6206 -69.6206 -39.4421 -39.4414 -39.4390 -39.4388 -38.2566 -38.2557 -38.2522 -38.2521 -38.2320 -38.2320 -38.2298 -38.2298 -3.9319 -3.9318 -2.9938 -2.9893 3.4408 3.4737 4.8492 4.8670 5.0404 5.0408 5.4974 5.5151 5.6146 5.6242 5.7917 5.8129 7.7036 7.7067 7.8394 7.8548 8.0512 8.0992 8.2184 8.2339 8.3601 8.4092 9.4181 9.4360 9.8067 9.8179 10.5193 10.5686 10.9023 10.9100 k = 0.1778 0.1026-0.0000 ( 7883 PWs) bands (ev): -69.6239 -69.6239 -69.6209 -69.6209 -39.4422 -39.4414 -39.4391 -39.4389 -38.2566 -38.2557 -38.2523 -38.2522 -38.2321 -38.2321 -38.2299 -38.2299 -3.9060 -3.9058 -2.9797 -2.9749 3.4698 3.5059 4.7932 4.8183 4.9954 4.9999 5.4889 5.5073 5.6151 5.6255 5.7961 5.8177 7.6842 7.6880 7.8372 7.8534 8.0408 8.0858 8.2209 8.2361 8.3685 8.4156 9.3437 9.3624 9.7479 9.7599 10.4284 10.4852 10.8472 10.8648 k = 0.1889 0.1091-0.0000 ( 7887 PWs) bands (ev): -69.6243 -69.6243 -69.6211 -69.6211 -39.4423 -39.4414 -39.4392 -39.4390 -38.2567 -38.2557 -38.2523 -38.2522 -38.2322 -38.2322 -38.2300 -38.2300 -3.8787 -3.8785 -2.9651 -2.9600 3.5000 3.5396 4.7337 4.7664 4.9484 4.9580 5.4831 5.5021 5.6163 5.6274 5.8008 5.8228 7.6651 7.6696 7.8359 7.8527 8.0289 8.0708 8.2235 8.2387 8.3759 8.4202 9.2703 9.2898 9.6931 9.7060 10.3351 10.3976 10.7931 10.8189 k = 0.2000 0.1155-0.0000 ( 7891 PWs) bands (ev): -69.6240 -69.6240 -69.6218 -69.6218 -39.4423 -39.4415 -39.4392 -39.4390 -38.2567 -38.2556 -38.2524 -38.2523 -38.2323 -38.2323 -38.2301 -38.2301 -3.8502 -3.8500 -2.9502 -2.9449 3.5312 3.5747 4.6719 4.7124 4.8992 4.9136 5.4785 5.4979 5.6177 5.6293 5.8054 5.8277 7.6455 7.6505 7.8380 7.8554 8.0182 8.0573 8.2272 8.2424 8.3843 8.4256 9.1971 9.2174 9.6347 9.6484 10.2396 10.3060 10.7386 10.7710 k = 0.2111 0.1219-0.0000 ( 7887 PWs) bands (ev): -69.6242 -69.6242 -69.6212 -69.6212 -39.4424 -39.4415 -39.4393 -39.4391 -38.2567 -38.2556 -38.2524 -38.2523 -38.2324 -38.2324 -38.2302 -38.2302 -3.8206 -3.8203 -2.9350 -2.9294 3.5632 3.6112 4.6085 4.6569 4.8495 4.8687 5.4751 5.4952 5.6207 5.6332 5.8098 5.8326 7.6253 7.6311 7.8439 7.8617 8.0076 8.0435 8.2309 8.2462 8.3932 8.4312 9.1317 9.1532 9.5787 9.5931 10.1421 10.2113 10.6835 10.7212 k = 0.2222 0.1283-0.0000 ( 7887 PWs) bands (ev): -69.6242 -69.6242 -69.6212 -69.6212 -39.4424 -39.4415 -39.4393 -39.4391 -38.2567 -38.2556 -38.2525 -38.2524 -38.2325 -38.2325 -38.2303 -38.2303 -3.7898 -3.7895 -2.9196 -2.9139 3.5957 3.6487 4.5432 4.6004 4.7991 4.8229 5.4728 5.4933 5.6234 5.6366 5.8144 5.8377 7.6068 7.6133 7.8465 7.8647 7.9962 8.0291 8.2334 8.2488 8.4019 8.4359 9.0675 9.0905 9.5226 9.5379 10.0444 10.1149 10.6299 10.6717 k = 0.2333 0.1347-0.0000 ( 7885 PWs) bands (ev): -69.6242 -69.6242 -69.6209 -69.6209 -39.4425 -39.4416 -39.4394 -39.4392 -38.2567 -38.2556 -38.2525 -38.2524 -38.2326 -38.2326 -38.2304 -38.2304 -3.7581 -3.7577 -2.9042 -2.8983 3.6281 3.6872 4.4773 4.5440 4.7485 4.7770 5.4713 5.4922 5.6259 5.6398 5.8186 5.8423 7.5898 7.5970 7.8487 7.8672 7.9849 8.0148 8.2355 8.2510 8.4100 8.4397 9.0104 9.0350 9.4670 9.4831 9.9469 10.0178 10.5765 10.6215 k = 0.2444 0.1411-0.0000 ( 7889 PWs) bands (ev): -69.6242 -69.6242 -69.6214 -69.6214 -39.4425 -39.4416 -39.4395 -39.4393 -38.2567 -38.2556 -38.2526 -38.2525 -38.2327 -38.2327 -38.2306 -38.2305 -3.7255 -3.7250 -2.8888 -2.8827 3.6599 3.7263 4.4102 4.4877 4.6976 4.7308 5.4702 5.4915 5.6279 5.6424 5.8221 5.8461 7.5723 7.5801 7.8530 7.8716 7.9734 8.0002 8.2375 8.2533 8.4184 8.4429 8.9522 8.9792 9.4087 9.4256 9.8469 9.9175 10.5224 10.5697 k = 0.2556 0.1475-0.0000 ( 7887 PWs) bands (ev): -69.6241 -69.6241 -69.6212 -69.6212 -39.4426 -39.4417 -39.4395 -39.4393 -38.2567 -38.2556 -38.2526 -38.2526 -38.2328 -38.2328 -38.2307 -38.2306 -3.6921 -3.6916 -2.8736 -2.8674 3.6903 3.7657 4.3428 4.4330 4.6473 4.6855 5.4700 5.4917 5.6308 5.6460 5.8255 5.8499 7.5568 7.5653 7.8585 7.8771 7.9621 7.9859 8.2401 8.2560 8.4267 8.4451 8.8981 8.9281 9.3545 9.3721 9.7475 9.8169 10.4700 10.5188 k = 0.2667 0.1540-0.0000 ( 7899 PWs) bands (ev): -69.6249 -69.6249 -69.6218 -69.6218 -39.4426 -39.4417 -39.4396 -39.4394 -38.2568 -38.2556 -38.2527 -38.2527 -38.2330 -38.2329 -38.2308 -38.2308 -3.6581 -3.6575 -2.8587 -2.8523 3.7180 3.8046 4.2754 4.3807 4.5971 4.6405 5.4694 5.4915 5.6331 5.6490 5.8274 5.8523 7.5375 7.5466 7.8646 7.8827 7.9496 7.9699 8.2419 8.2580 8.4332 8.4448 8.8469 8.8807 9.2979 9.3163 9.6434 9.7108 10.4151 10.4644 k = 0.2778 0.1604-0.0000 ( 7903 PWs) bands (ev): -69.6258 -69.6258 -69.6214 -69.6214 -39.4427 -39.4418 -39.4397 -39.4395 -38.2568 -38.2556 -38.2528 -38.2527 -38.2331 -38.2331 -38.2309 -38.2309 -3.6234 -3.6228 -2.8441 -2.8376 3.7416 3.8426 4.2086 4.3327 4.5491 4.5981 5.4696 5.4920 5.6360 5.6526 5.8294 5.8546 7.5202 7.5303 7.8712 7.8882 7.9392 7.9555 8.2444 8.2607 8.4395 8.4436 8.8020 8.8404 9.2456 9.2648 9.5402 9.6050 10.3629 10.4121 k = 0.2889 0.1668-0.0000 ( 7895 PWs) bands (ev): -69.6251 -69.6251 -69.6210 -69.6210 -39.4427 -39.4418 -39.4397 -39.4395 -38.2568 -38.2556 -38.2528 -38.2528 -38.2332 -38.2331 -38.2310 -38.2310 -3.5884 -3.5876 -2.8300 -2.8234 3.7592 3.8789 4.1432 4.2905 4.5042 4.5591 5.4707 5.4935 5.6386 5.6558 5.8314 5.8569 7.5083 7.5191 7.8808 7.8951 7.9326 7.9436 8.2480 8.2644 8.4423 8.4468 8.7615 8.8053 9.1948 9.2148 9.4418 9.5035 10.3136 10.3622 k = 0.3000 0.1732-0.0000 ( 7911 PWs) bands (ev): -69.6264 -69.6264 -69.6217 -69.6217 -39.4427 -39.4419 -39.4398 -39.4396 -38.2568 -38.2556 -38.2529 -38.2529 -38.2333 -38.2333 -38.2311 -38.2311 -3.5531 -3.5522 -2.8166 -2.8099 3.7686 3.9110 4.0798 4.2544 4.4623 4.5231 5.4706 5.4941 5.6401 5.6578 5.8316 5.8574 7.4902 7.5014 7.8888 7.8961 7.9284 7.9301 8.2488 8.2656 8.4353 8.4492 8.7236 8.7736 9.1408 9.1617 9.3401 9.3976 10.2584 10.3054 k = 0.3111 0.1796-0.0000 ( 7911 PWs) bands (ev): -69.6265 -69.6265 -69.6215 -69.6215 -39.4428 -39.4419 -39.4399 -39.4397 -38.2568 -38.2556 -38.2530 -38.2529 -38.2334 -38.2334 -38.2312 -38.2312 -3.5176 -3.5167 -2.8038 -2.7971 3.7681 3.9349 4.0227 4.2251 4.4280 4.4936 5.4705 5.4946 5.6421 5.6604 5.8311 5.8572 7.4796 7.4911 7.8928 7.8953 7.9212 7.9312 8.2518 8.2687 8.4280 8.4506 8.6967 8.7522 9.0907 9.1124 9.2426 9.2958 10.2081 10.2537 k = 0.3222 0.1860-0.0000 ( 7907 PWs) bands (ev): -69.6261 -69.6261 -69.6214 -69.6214 -39.4428 -39.4420 -39.4399 -39.4397 -38.2567 -38.2557 -38.2530 -38.2530 -38.2335 -38.2334 -38.2313 -38.2313 -3.4821 -3.4811 -2.7919 -2.7852 3.7571 3.9272 3.9931 4.2003 4.4032 4.4716 5.4713 5.4959 5.6442 5.6628 5.8310 5.8570 7.4716 7.4835 7.8861 7.8968 7.9204 7.9405 8.2554 8.2724 8.4157 8.4464 8.6732 8.7330 9.0440 9.0672 9.1487 9.1966 10.1614 10.2051 k = 0.3333 0.1925-0.0000 ( 7911 PWs) bands (ev): -69.6261 -69.6261 -69.6219 -69.6219 -39.4428 -39.4421 -39.4400 -39.4398 -38.2567 -38.2557 -38.2531 -38.2530 -38.2336 -38.2335 -38.2314 -38.2314 -3.4469 -3.4458 -2.7808 -2.7742 3.7367 3.8794 3.9982 4.1760 4.3913 4.4586 5.4710 5.4961 5.6457 5.6644 5.8296 5.8556 7.4653 7.4775 7.8762 7.8872 7.9261 7.9482 8.2581 8.2750 8.4007 8.4369 8.6563 8.7178 8.9943 9.0202 9.0601 9.1005 10.1156 10.1572 k = 0.3444 0.1989-0.0000 ( 7905 PWs) bands (ev): -69.6260 -69.6260 -69.6212 -69.6212 -39.4429 -39.4421 -39.4400 -39.4399 -38.2567 -38.2557 -38.2531 -38.2531 -38.2337 -38.2336 -38.2315 -38.2315 -3.4119 -3.4107 -2.7708 -2.7642 3.7090 3.8246 4.0038 4.1491 4.3934 4.4562 5.4708 5.4964 5.6475 5.6663 5.8282 5.8540 7.4603 7.4731 7.8698 7.8791 7.9409 7.9630 8.2613 8.2780 8.3851 8.4245 8.6496 8.7095 8.9368 8.9705 8.9831 9.0100 10.0724 10.1116 k = 0.3556 0.2053-0.0000 ( 7901 PWs) bands (ev): -69.6255 -69.6255 -69.6211 -69.6211 -39.4429 -39.4422 -39.4401 -39.4399 -38.2567 -38.2557 -38.2532 -38.2532 -38.2337 -38.2337 -38.2316 -38.2316 -3.3776 -3.3762 -2.7620 -2.7554 3.6766 3.7708 4.0025 4.1190 4.4079 4.4642 5.4702 5.4963 5.6492 5.6678 5.8264 5.8518 7.4588 7.4717 7.8605 7.8681 7.9545 7.9762 8.2647 8.2811 8.3661 8.4059 8.6449 8.6979 8.8684 8.9013 8.9325 8.9512 10.0306 10.0672 k = 0.3667 0.2117-0.0000 ( 7891 PWs) bands (ev): -69.6249 -69.6249 -69.6205 -69.6205 -39.4429 -39.4422 -39.4401 -39.4400 -38.2567 -38.2557 -38.2532 -38.2532 -38.2338 -38.2337 -38.2316 -38.2316 -3.3439 -3.3425 -2.7541 -2.7478 3.6418 3.7191 3.9943 4.0870 4.4317 4.4815 5.4688 5.4952 5.6509 5.6693 5.8242 5.8490 7.4590 7.4720 7.8544 7.8606 7.9691 7.9903 8.2688 8.2845 8.3509 8.3892 8.6467 8.6840 8.8011 8.8180 8.8919 8.9103 9.9924 10.0262 k = 0.3778 0.2181-0.0000 ( 7891 PWs) bands (ev): -69.6251 -69.6251 -69.6203 -69.6203 -39.4429 -39.4423 -39.4401 -39.4400 -38.2566 -38.2558 -38.2532 -38.2532 -38.2339 -38.2338 -38.2317 -38.2317 -3.3112 -3.3098 -2.7476 -2.7414 3.6060 3.6701 3.9805 4.0547 4.4613 4.5060 5.4664 5.4932 5.6518 5.6699 5.8217 5.8456 7.4600 7.4732 7.8474 7.8527 7.9839 8.0045 8.2711 8.2855 8.3335 8.3684 8.6415 8.6460 8.7402 8.7561 8.8520 8.8703 9.9559 9.9868 k = 0.3889 0.2245-0.0000 ( 7891 PWs) bands (ev): -69.6248 -69.6248 -69.6206 -69.6206 -39.4429 -39.4423 -39.4402 -39.4401 -38.2566 -38.2558 -38.2533 -38.2533 -38.2339 -38.2339 -38.2318 -38.2318 -3.2798 -3.2782 -2.7422 -2.7362 3.5710 3.6245 3.9632 4.0228 4.4944 4.5351 5.4632 5.4900 5.6528 5.6703 5.8188 5.8416 7.4638 7.4771 7.8410 7.8450 7.9984 8.0184 8.2732 8.2842 8.3164 8.3459 8.5843 8.6101 8.6956 8.7406 8.8175 8.8352 9.9213 9.9493 k = 0.4000 0.2309-0.0000 ( 7899 PWs) bands (ev): -69.6251 -69.6251 -69.6212 -69.6212 -39.4429 -39.4424 -39.4402 -39.4401 -38.2566 -38.2558 -38.2533 -38.2533 -38.2340 -38.2340 -38.2319 -38.2319 -3.2498 -3.2483 -2.7379 -2.7323 3.5373 3.5820 3.9441 3.9924 4.5294 4.5669 5.4592 5.4857 5.6537 5.6704 5.8157 5.8373 7.4681 7.4812 7.8343 7.8372 8.0129 8.0320 8.2732 8.2741 8.3056 8.3227 8.5141 8.5439 8.6864 8.7334 8.7855 8.8018 9.8881 9.9131 k = 0.4111 0.2374-0.0000 ( 7901 PWs) bands (ev): -69.6255 -69.6255 -69.6210 -69.6210 -39.4429 -39.4424 -39.4402 -39.4401 -38.2566 -38.2559 -38.2534 -38.2533 -38.2341 -38.2340 -38.2319 -38.2319 -3.2216 -3.2200 -2.7348 -2.7295 3.5061 3.5435 3.9247 3.9638 4.5649 4.5996 5.4547 5.4806 5.6546 5.6702 5.8130 5.8331 7.4745 7.4872 7.8282 7.8304 8.0277 8.0460 8.2625 8.2705 8.3040 8.3099 8.4440 8.4709 8.6905 8.7295 8.7590 8.7709 9.8578 9.8798 k = 0.4222 0.2438-0.0000 ( 7901 PWs) bands (ev): -69.6253 -69.6253 -69.6212 -69.6212 -39.4429 -39.4425 -39.4403 -39.4402 -38.2565 -38.2559 -38.2534 -38.2534 -38.2341 -38.2341 -38.2320 -38.2320 -3.1954 -3.1938 -2.7328 -2.7279 3.4778 3.5088 3.9062 3.9379 4.6000 4.6319 5.4497 5.4745 5.6556 5.6698 5.8105 5.8287 7.4834 7.4955 7.8240 7.8258 8.0419 8.0590 8.2488 8.2614 8.3025 8.3028 8.3824 8.4048 8.6967 8.7171 8.7434 8.7460 9.8305 9.8495 k = 0.4333 0.2502-0.0000 ( 7905 PWs) bands (ev): -69.6258 -69.6258 -69.6212 -69.6212 -39.4429 -39.4425 -39.4403 -39.4402 -38.2565 -38.2560 -38.2534 -38.2534 -38.2342 -38.2341 -38.2320 -38.2320 -3.1715 -3.1700 -2.7316 -2.7272 3.4528 3.4783 3.8893 3.9147 4.6335 4.6624 5.4442 5.4674 5.6564 5.6691 5.8082 5.8243 7.4935 7.5048 7.8205 7.8218 8.0547 8.0706 8.2358 8.2469 8.2936 8.2979 8.3291 8.3427 8.6956 8.7016 8.7201 8.7450 9.8067 9.8229 k = 0.4444 0.2566-0.0000 ( 7905 PWs) bands (ev): -69.6253 -69.6253 -69.6217 -69.6217 -39.4429 -39.4426 -39.4403 -39.4403 -38.2564 -38.2560 -38.2535 -38.2534 -38.2342 -38.2342 -38.2321 -38.2321 -3.1504 -3.1490 -2.7311 -2.7272 3.4316 3.4521 3.8747 3.8946 4.6646 4.6900 5.4388 5.4598 5.6572 5.6682 5.8062 5.8200 7.5068 7.5167 7.8165 7.8175 8.0652 8.0797 8.2230 8.2300 8.2632 8.2930 8.2977 8.3104 8.6744 8.6877 8.7166 8.7450 9.7895 9.8029 k = 0.4556 0.2630-0.0000 ( 7909 PWs) bands (ev): -69.6253 -69.6253 -69.6221 -69.6221 -39.4429 -39.4426 -39.4403 -39.4403 -38.2564 -38.2561 -38.2535 -38.2535 -38.2342 -38.2342 -38.2321 -38.2321 -3.1324 -3.1312 -2.7311 -2.7279 3.4141 3.4300 3.8620 3.8773 4.6921 4.7135 5.4339 5.4520 5.6588 5.6677 5.8048 5.8160 7.5162 7.5244 7.8124 7.8135 8.0746 8.0872 8.2062 8.2079 8.2289 8.2552 8.3005 8.3096 8.6607 8.6726 8.7203 8.7437 9.7709 9.7814 k = 0.4667 0.2694-0.0000 ( 7909 PWs) bands (ev): -69.6249 -69.6249 -69.6225 -69.6225 -39.4429 -39.4427 -39.4403 -39.4403 -38.2564 -38.2561 -38.2535 -38.2535 -38.2342 -38.2342 -38.2321 -38.2321 -3.1178 -3.1168 -2.7314 -2.7289 3.4008 3.4124 3.8525 3.8636 4.7156 4.7325 5.4301 5.4444 5.6598 5.6665 5.8039 5.8125 7.5270 7.5335 7.8102 7.8113 8.0804 8.0904 8.1838 8.1860 8.2157 8.2335 8.3021 8.3088 8.6472 8.6569 8.7254 8.7432 9.7586 9.7664 k = 0.4778 0.2758-0.0000 ( 7917 PWs) bands (ev): -69.6248 -69.6248 -69.6235 -69.6235 -39.4429 -39.4427 -39.4404 -39.4403 -38.2563 -38.2561 -38.2535 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.1070 -3.1063 -2.7317 -2.7299 3.3917 3.3993 3.8462 3.8533 4.7339 4.7455 5.4275 5.4375 5.6602 5.6647 5.8036 5.8093 7.5368 7.5412 7.8082 7.8090 8.0818 8.0885 8.1617 8.1636 8.2077 8.2189 8.3012 8.3060 8.6337 8.6407 8.7303 8.7422 9.7509 9.7561 k = 0.4889 0.2823-0.0000 ( 7924 PWs) bands (ev): -69.6254 -69.6254 -69.6239 -69.6239 -39.4428 -39.4428 -39.4404 -39.4404 -38.2563 -38.2562 -38.2536 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.1004 -3.1000 -2.7317 -2.7309 3.3868 3.3906 3.8427 3.8462 4.7464 4.7524 5.4269 5.4320 5.6615 5.6637 5.8040 5.8068 7.5410 7.5435 7.8079 7.8082 8.0806 8.0836 8.1507 8.1515 8.2002 8.2051 8.3026 8.3050 8.6295 8.6332 8.7355 8.7414 9.7437 9.7463 k = 0.5000 0.2887-0.0000 ( 7934 PWs) bands (ev): -69.6263 -69.6263 -69.6242 -69.6242 -39.4428 -39.4428 -39.4404 -39.4404 -38.2563 -38.2563 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0980 -3.0980 -2.7315 -2.7315 3.3864 3.3864 3.8426 3.8426 4.7525 4.7525 5.4282 5.4282 5.6624 5.6624 5.8047 5.8047 7.5434 7.5434 7.8065 7.8065 8.0768 8.0768 8.1449 8.1449 8.2002 8.2002 8.3021 8.3021 8.6276 8.6276 8.7382 8.7382 9.7416 9.7416 k = 0.5000 0.2887-0.0000 ( 7934 PWs) bands (ev): -69.6263 -69.6263 -69.6242 -69.6242 -39.4428 -39.4428 -39.4404 -39.4404 -38.2563 -38.2563 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0980 -3.0980 -2.7315 -2.7315 3.3864 3.3864 3.8426 3.8426 4.7525 4.7525 5.4282 5.4282 5.6624 5.6624 5.8047 5.8047 7.5434 7.5434 7.8065 7.8065 8.0768 8.0768 8.1449 8.1449 8.2002 8.2002 8.3021 8.3021 8.6276 8.6276 8.7382 8.7382 9.7416 9.7416 k = 0.4936 0.2998-0.0000 ( 7927 PWs) bands (ev): -69.6256 -69.6256 -69.6240 -69.6240 -39.4429 -39.4428 -39.4404 -39.4403 -38.2563 -38.2562 -38.2536 -38.2535 -38.2344 -38.2343 -38.2323 -38.2321 -3.0975 -3.0974 -2.7316 -2.7314 3.3877 3.3878 3.8434 3.8439 4.7529 4.7534 5.4226 5.4324 5.6567 5.6618 5.7981 5.8087 7.5433 7.5460 7.8051 7.8086 8.0779 8.0783 8.1416 8.1457 8.1996 8.2010 8.3024 8.3071 8.6308 8.6329 8.7377 8.7411 9.7331 9.7482 k = 0.4872 0.3109-0.0000 ( 7925 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4429 -39.4427 -39.4404 -39.4403 -38.2563 -38.2562 -38.2536 -38.2535 -38.2344 -38.2342 -38.2323 -38.2321 -3.0959 -3.0957 -2.7316 -2.7311 3.3916 3.3919 3.8460 3.8472 4.7546 4.7556 5.4139 5.4337 5.6444 5.6544 5.7869 5.8084 7.5430 7.5482 7.8026 7.8098 8.0725 8.0737 8.1341 8.1410 8.1974 8.1999 8.3068 8.3157 8.6396 8.6441 8.7386 8.7456 9.7196 9.7485 k = 0.4808 0.3220-0.0000 ( 7927 PWs) bands (ev): -69.6252 -69.6252 -69.6243 -69.6243 -39.4429 -39.4427 -39.4405 -39.4403 -38.2563 -38.2561 -38.2536 -38.2535 -38.2345 -38.2341 -38.2324 -38.2320 -3.0932 -3.0929 -2.7316 -2.7309 3.3981 3.3985 3.8503 3.8520 4.7574 4.7589 5.4040 5.4339 5.6255 5.6406 5.7731 5.8056 7.5443 7.5520 7.7976 7.8084 8.0595 8.0621 8.1247 8.1323 8.1965 8.1998 8.3092 8.3207 8.6521 8.6597 8.7380 8.7492 9.7013 9.7430 k = 0.4744 0.3331-0.0000 ( 7923 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4430 -39.4426 -39.4405 -39.4403 -38.2564 -38.2561 -38.2536 -38.2535 -38.2346 -38.2341 -38.2325 -38.2320 -3.0894 -3.0889 -2.7315 -2.7306 3.4073 3.4078 3.8566 3.8589 4.7616 4.7635 5.3919 5.4311 5.6009 5.6207 5.7564 5.7988 7.5463 7.5567 7.7935 7.8084 8.0411 8.0455 8.1170 8.1242 8.1982 8.2023 8.3137 8.3258 8.6702 8.6796 8.7420 8.7560 9.6808 9.7335 k = 0.4679 0.3442-0.0000 ( 7923 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4430 -39.4426 -39.4405 -39.4402 -38.2564 -38.2561 -38.2536 -38.2535 -38.2346 -38.2340 -38.2325 -38.2319 -3.0845 -3.0839 -2.7314 -2.7302 3.4191 3.4198 3.8647 3.8676 4.7667 4.7693 5.3778 5.4261 5.5695 5.5941 5.7372 5.7893 7.5493 7.5622 7.7884 7.8075 8.0179 8.0244 8.1094 8.1157 8.2009 8.2057 8.3160 8.3290 8.6854 8.6972 8.7469 8.7646 9.6562 9.7174 k = 0.4615 0.3553-0.0000 ( 7927 PWs) bands (ev): -69.6253 -69.6253 -69.6243 -69.6243 -39.4431 -39.4426 -39.4406 -39.4402 -38.2564 -38.2560 -38.2537 -38.2535 -38.2347 -38.2340 -38.2326 -38.2319 -3.0785 -3.0779 -2.7314 -2.7300 3.4335 3.4343 3.8745 3.8780 4.7730 4.7762 5.3610 5.4178 5.5328 5.5620 5.7157 5.7768 7.5514 7.5667 7.7807 7.8047 7.9896 7.9989 8.1014 8.1068 8.2045 8.2098 8.3200 8.3337 8.7028 8.7165 8.7531 8.7741 9.6280 9.6943 k = 0.4551 0.3664-0.0000 ( 7927 PWs) bands (ev): -69.6253 -69.6253 -69.6243 -69.6243 -39.4431 -39.4425 -39.4406 -39.4402 -38.2564 -38.2560 -38.2537 -38.2535 -38.2348 -38.2340 -38.2327 -38.2319 -3.0715 -3.0707 -2.7314 -2.7298 3.4503 3.4513 3.8861 3.8902 4.7801 4.7841 5.3422 5.4065 5.4915 5.5250 5.6926 5.7617 7.5557 7.5736 7.7710 7.8002 7.9610 7.9729 8.0944 8.0994 8.2122 8.2184 8.3234 8.3367 8.7216 8.7364 8.7603 8.7836 9.5984 9.6666 k = 0.4487 0.3775-0.0000 ( 7927 PWs) bands (ev): -69.6254 -69.6254 -69.6242 -69.6242 -39.4432 -39.4425 -39.4407 -39.4402 -38.2565 -38.2560 -38.2537 -38.2535 -38.2349 -38.2339 -38.2328 -38.2318 -3.0635 -3.0627 -2.7314 -2.7296 3.4697 3.4708 3.8993 3.9040 4.7879 4.7928 5.3209 5.3917 5.4459 5.4838 5.6689 5.7447 7.5613 7.5814 7.7608 7.7953 7.9342 7.9485 8.0833 8.0878 8.2202 8.2269 8.3276 8.3403 8.7397 8.7553 8.7691 8.7944 9.5673 9.6343 k = 0.4423 0.3886-0.0000 ( 7927 PWs) bands (ev): -69.6254 -69.6254 -69.6242 -69.6242 -39.4432 -39.4425 -39.4407 -39.4402 -38.2565 -38.2560 -38.2537 -38.2535 -38.2349 -38.2339 -38.2328 -38.2318 -3.0546 -3.0536 -2.7316 -2.7296 3.4915 3.4928 3.9140 3.9194 4.7963 4.8022 5.2968 5.3721 5.3969 5.4391 5.6447 5.7255 7.5674 7.5898 7.7495 7.7891 7.9098 7.9268 8.0713 8.0755 8.2296 8.2368 8.3312 8.3433 8.7581 8.7733 8.7798 8.8062 9.5332 9.5967 k = 0.4359 0.3997-0.0000 ( 7927 PWs) bands (ev): -69.6252 -69.6252 -69.6244 -69.6244 -39.4433 -39.4424 -39.4407 -39.4401 -38.2565 -38.2559 -38.2537 -38.2535 -38.2350 -38.2339 -38.2329 -38.2318 -3.0448 -3.0437 -2.7320 -2.7298 3.5157 3.5172 3.9303 3.9363 4.8051 4.8122 5.2697 5.3456 5.3465 5.3926 5.6211 5.7039 7.5738 7.5986 7.7373 7.7815 7.8872 7.9066 8.0607 8.0645 8.2409 8.2489 8.3343 8.3454 8.7765 8.7856 8.7963 8.8182 9.4964 9.5544 k = 0.4295 0.4108-0.0000 ( 7931 PWs) bands (ev): -69.6255 -69.6255 -69.6246 -69.6246 -39.4433 -39.4424 -39.4408 -39.4401 -38.2565 -38.2559 -38.2538 -38.2535 -38.2351 -38.2339 -38.2330 -38.2318 -3.0342 -3.0329 -2.7326 -2.7303 3.5422 3.5438 3.9478 3.9545 4.8134 4.8218 5.2388 5.2938 5.3140 5.3469 5.5982 5.6814 7.5806 7.6077 7.7237 7.7714 7.8677 7.8886 8.0459 8.0497 8.2538 8.2632 8.3363 8.3458 8.7922 8.7957 8.8129 8.8308 9.4585 9.5099 k = 0.4231 0.4219-0.0000 ( 7933 PWs) bands (ev): -69.6256 -69.6256 -69.6246 -69.6246 -39.4434 -39.4424 -39.4408 -39.4401 -38.2565 -38.2559 -38.2538 -38.2535 -38.2352 -38.2339 -38.2331 -38.2317 -3.0228 -3.0214 -2.7336 -2.7310 3.5709 3.5727 3.9664 3.9738 4.8205 4.8305 5.2027 5.2445 5.2734 5.3040 5.5766 5.6573 7.5886 7.6179 7.7095 7.7588 7.8521 7.8728 8.0308 8.0341 8.2679 8.2784 8.3415 8.3494 8.8078 8.8101 8.8308 8.8444 9.4173 9.4613 k = 0.4167 0.4330-0.0000 ( 7931 PWs) bands (ev): -69.6255 -69.6255 -69.6246 -69.6246 -39.4434 -39.4424 -39.4408 -39.4401 -38.2566 -38.2558 -38.2538 -38.2534 -38.2352 -38.2338 -38.2331 -38.2317 -3.0106 -3.0090 -2.7349 -2.7321 3.6017 3.6037 3.9862 3.9942 4.8253 4.8370 5.1612 5.2009 5.2291 5.2637 5.5559 5.6328 7.5961 7.6275 7.6960 7.7454 7.8404 7.8598 8.0133 8.0163 8.2850 8.2985 8.3467 8.3509 8.8203 8.8251 8.8504 8.8625 9.3778 9.4147 k = 0.4103 0.4441-0.0000 ( 7931 PWs) bands (ev): -69.6255 -69.6255 -69.6245 -69.6245 -39.4434 -39.4423 -39.4409 -39.4401 -38.2566 -38.2558 -38.2538 -38.2534 -38.2353 -38.2338 -38.2332 -38.2317 -2.9977 -2.9961 -2.7366 -2.7338 3.6345 3.6367 4.0066 4.0152 4.8257 4.8387 5.1173 5.1626 5.1866 5.2216 5.5371 5.6078 7.6051 7.6387 7.6844 7.7328 7.8295 7.8466 7.9958 7.9988 8.3012 8.3196 8.3520 8.3538 8.8281 8.8355 8.8689 8.8801 9.3359 9.3658 k = 0.4038 0.4552-0.0000 ( 7927 PWs) bands (ev): -69.6253 -69.6253 -69.6242 -69.6242 -39.4435 -39.4423 -39.4409 -39.4401 -38.2566 -38.2558 -38.2538 -38.2534 -38.2354 -38.2338 -38.2333 -38.2317 -2.9843 -2.9825 -2.7389 -2.7359 3.6691 3.6715 4.0272 4.0365 4.8193 4.8324 5.0771 5.1284 5.1510 5.1789 5.5184 5.5827 7.6137 7.6492 7.6717 7.7182 7.8211 7.8353 7.9792 7.9820 8.3172 8.3436 8.3571 8.3675 8.8358 8.8451 8.8879 8.8988 9.2974 9.3209 k = 0.3974 0.4663-0.0000 ( 7923 PWs) bands (ev): -69.6252 -69.6251 -69.6239 -69.6239 -39.4435 -39.4423 -39.4409 -39.4401 -38.2566 -38.2557 -38.2538 -38.2534 -38.2354 -38.2338 -38.2333 -38.2317 -2.9703 -2.9683 -2.7418 -2.7387 3.7055 3.7081 4.0480 4.0578 4.8039 4.8145 5.0432 5.0999 5.1253 5.1344 5.4999 5.5569 7.6232 7.6608 7.6617 7.7059 7.8136 7.8249 7.9602 7.9628 8.3301 8.3568 8.3750 8.3865 8.8423 8.8525 8.9077 8.9192 9.2576 9.2750 k = 0.3910 0.4774-0.0000 ( 7915 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4435 -39.4423 -39.4410 -39.4401 -38.2566 -38.2557 -38.2539 -38.2534 -38.2355 -38.2338 -38.2334 -38.2317 -2.9559 -2.9538 -2.7453 -2.7421 3.7433 3.7461 4.0681 4.0782 4.7788 4.7847 5.0116 5.0830 5.0880 5.1126 5.4816 5.5305 7.6326 7.6547 7.6726 7.6957 7.8068 7.8147 7.9431 7.9455 8.3418 8.3642 8.4038 8.4115 8.8501 8.8612 8.9285 8.9412 9.2168 9.2291 k = 0.3846 0.4885-0.0000 ( 7909 PWs) bands (ev): -69.6243 -69.6243 -69.6230 -69.6230 -39.4436 -39.4423 -39.4410 -39.4401 -38.2566 -38.2557 -38.2539 -38.2534 -38.2355 -38.2337 -38.2334 -38.2316 -2.9412 -2.9388 -2.7496 -2.7463 3.7823 3.7852 4.0869 4.0972 4.7456 4.7464 4.9778 5.0422 5.0803 5.1105 5.4624 5.5032 7.6405 7.6494 7.6845 7.6852 7.8015 7.8065 7.9255 7.9276 8.3494 8.3682 8.4367 8.4412 8.8581 8.8691 8.9502 8.9650 9.1748 9.1831 k = 0.3782 0.4996-0.0000 ( 7909 PWs) bands (ev): -69.6243 -69.6243 -69.6230 -69.6230 -39.4436 -39.4423 -39.4410 -39.4401 -38.2566 -38.2557 -38.2539 -38.2534 -38.2355 -38.2337 -38.2335 -38.2316 -2.9262 -2.9236 -2.7548 -2.7514 3.8222 3.8253 4.1038 4.1138 4.7044 4.7079 4.9425 4.9974 5.0886 5.1175 5.4428 5.4756 7.6383 7.6541 7.6752 7.6958 7.7956 7.7974 7.9063 7.9083 8.3547 8.3709 8.4694 8.4720 8.8595 8.8706 8.9723 8.9901 9.1334 9.1393 k = 0.3718 0.5107-0.0000 ( 7903 PWs) bands (ev): -69.6242 -69.6242 -69.6224 -69.6224 -39.4436 -39.4422 -39.4410 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2335 -38.2316 -2.9110 -2.9082 -2.7609 -2.7574 3.8628 3.8659 4.1178 4.1270 4.6632 4.6694 4.9074 4.9543 5.1039 5.1310 5.4222 5.4474 7.6339 7.6641 7.6661 7.7089 7.7904 7.7922 7.8889 7.8908 8.3610 8.3748 8.5040 8.5051 8.8622 8.8732 8.9933 9.0167 9.0922 9.0989 k = 0.3654 0.5218-0.0000 ( 7903 PWs) bands (ev): -69.6242 -69.6242 -69.6224 -69.6224 -39.4436 -39.4422 -39.4410 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2335 -38.2316 -2.8958 -2.8928 -2.7680 -2.7645 3.9033 3.9064 4.1275 4.1351 4.6255 4.6328 4.8748 4.9143 5.1235 5.1493 5.4007 5.4186 7.6300 7.6579 7.6727 7.7203 7.7829 7.7875 7.8711 7.8728 8.3660 8.3779 8.5398 8.5399 8.8606 8.8714 9.0033 9.0428 9.0533 9.0720 k = 0.3590 0.5329-0.0000 ( 7893 PWs) bands (ev): -69.6231 -69.6231 -69.6222 -69.6222 -39.4436 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2335 -38.2316 -2.8806 -2.8773 -2.7761 -2.7727 3.9431 3.9461 4.1318 4.1370 4.5935 4.6007 4.8461 4.8786 5.1463 5.1711 5.3788 5.3898 7.6297 7.6535 7.6834 7.7349 7.7776 7.7841 7.8553 7.8571 8.3714 8.3805 8.5763 8.5770 8.8638 8.8735 8.9848 9.0118 9.0751 9.0778 k = 0.3526 0.5440-0.0000 ( 7907 PWs) bands (ev): -69.6240 -69.6240 -69.6230 -69.6230 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2337 -38.2336 -38.2317 -2.8656 -2.8620 -2.7854 -2.7820 3.9813 3.9839 4.1297 4.1319 4.5685 4.5744 4.8222 4.8473 5.1706 5.1951 5.3549 5.3593 7.6265 7.6454 7.6900 7.7464 7.7712 7.7795 7.8367 7.8386 8.3708 8.3776 8.6090 8.6104 8.8608 8.8687 8.9478 8.9718 9.0972 9.1015 k = 0.3462 0.5551-0.0000 ( 7915 PWs) bands (ev): -69.6246 -69.6246 -69.6234 -69.6234 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2336 -38.2317 -2.8509 -2.8470 -2.7958 -2.7926 4.0164 4.0186 4.1200 4.1217 4.5512 4.5553 4.8059 4.8232 5.1962 5.2212 5.3289 5.3303 7.6256 7.6388 7.6950 7.7566 7.7668 7.7776 7.8210 7.8234 8.3703 8.3746 8.6409 8.6425 8.8554 8.8603 8.9149 8.9401 9.1233 9.1309 k = 0.3397 0.5662-0.0000 ( 7917 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8369 -2.8323 -2.8072 -2.8045 4.0460 4.0477 4.1036 4.1094 4.5412 4.5433 4.7976 4.8065 5.2220 5.2495 5.2989 5.3045 7.6261 7.6335 7.6977 7.7625 7.7656 7.7806 7.8118 7.8145 8.3710 8.3730 8.6673 8.6687 8.8487 8.8507 8.8936 8.9211 9.1523 9.1627 k = 0.3333 0.5774-0.0000 ( 7917 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8273 -2.8198 -2.8161 -2.8157 4.0615 4.0617 4.0923 4.1012 4.5384 4.5388 4.7979 4.7982 5.2377 5.2774 5.2797 5.2799 7.6295 7.6299 7.6985 7.7644 7.7650 7.7840 7.8079 7.8083 8.3723 8.3723 8.6789 8.6790 8.8427 8.8442 8.8882 8.9157 9.1708 9.1874 k = 0.3333 0.5774-0.0000 ( 7917 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8273 -2.8198 -2.8161 -2.8157 4.0615 4.0617 4.0923 4.1012 4.5384 4.5388 4.7979 4.7982 5.2377 5.2774 5.2797 5.2799 7.6295 7.6299 7.6985 7.7644 7.7650 7.7840 7.8079 7.8083 8.3723 8.3723 8.6789 8.6790 8.8427 8.8442 8.8882 8.9157 9.1708 9.1874 k = 0.3269 0.5662-0.0000 ( 7921 PWs) bands (ev): -69.6249 -69.6249 -69.6238 -69.6238 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8374 -2.8327 -2.8070 -2.8039 4.0460 4.0515 4.1006 4.1089 4.5411 4.5435 4.7971 4.8063 5.2196 5.2518 5.2942 5.3088 7.6258 7.6330 7.6979 7.7622 7.7643 7.7815 7.8068 7.8148 8.3707 8.3728 8.6659 8.6675 8.8491 8.8510 8.8919 8.9196 9.1528 9.1617 k = 0.3205 0.5551-0.0000 ( 7907 PWs) bands (ev): -69.6240 -69.6240 -69.6230 -69.6230 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2337 -38.2336 -38.2317 -2.8529 -2.8487 -2.7946 -2.7909 4.0219 4.0305 4.1087 4.1187 4.5514 4.5566 4.8033 4.8219 5.1892 5.2258 5.3226 5.3403 7.6239 7.6374 7.7000 7.7602 7.7625 7.7831 7.8178 7.8333 8.3705 8.3747 8.6387 8.6405 8.8688 8.8701 8.9077 8.9363 9.1316 9.1348 k = 0.3141 0.5440-0.0000 ( 7911 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2336 -38.2317 -2.8702 -2.8663 -2.7827 -2.7785 3.9971 4.0075 4.1101 4.1227 4.5689 4.5771 4.8139 4.8425 5.1561 5.2000 5.3525 5.3715 7.6172 7.6348 7.7022 7.7559 7.7564 7.7883 7.8302 7.8505 8.3667 8.3734 8.6011 8.6022 8.8819 8.8857 8.9289 8.9591 9.1093 9.1133 k = 0.3077 0.5329-0.0000 ( 7903 PWs) bands (ev): -69.6240 -69.6240 -69.6226 -69.6226 -39.4436 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2336 -38.2316 -2.8891 -2.8854 -2.7714 -2.7670 3.9737 3.9852 4.1052 4.1208 4.5925 4.6042 4.8274 4.8666 5.1232 5.1761 5.3843 5.4041 7.6155 7.6349 7.7068 7.7504 7.7567 7.7980 7.8468 7.8699 8.3669 8.3757 8.5599 8.5601 8.8945 8.9020 8.9496 8.9856 9.0950 9.1093 k = 0.3013 0.5218-0.0000 ( 7911 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4436 -39.4422 -39.4410 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2335 -38.2316 -2.9096 -2.9060 -2.7612 -2.7565 3.9525 3.9646 4.0956 4.1141 4.6201 4.6356 4.8420 4.8926 5.0916 5.1551 5.4157 5.4361 7.6101 7.6294 7.7083 7.7431 7.7593 7.8071 7.8624 7.8879 8.3615 8.3731 8.5164 8.5183 8.9043 8.9149 8.9550 8.9953 9.0988 9.1205 k = 0.2949 0.5107-0.0000 ( 7917 PWs) bands (ev): -69.6247 -69.6247 -69.6235 -69.6235 -39.4436 -39.4422 -39.4410 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2356 -38.2337 -38.2335 -38.2316 -2.9316 -2.9282 -2.7519 -2.7469 3.9343 3.9468 4.0832 4.1045 4.6490 4.6692 4.8559 4.9174 5.0649 5.1398 5.4473 5.4682 7.6041 7.6221 7.7087 7.7379 7.7691 7.8202 7.8799 7.9069 8.3547 8.3697 8.4737 8.4781 8.9104 8.9255 8.9493 8.9855 9.1302 9.1518 k = 0.2885 0.4996-0.0000 ( 7905 PWs) bands (ev): -69.6240 -69.6240 -69.6227 -69.6227 -39.4436 -39.4422 -39.4410 -39.4400 -38.2566 -38.2556 -38.2539 -38.2534 -38.2355 -38.2337 -38.2334 -38.2316 -2.9551 -2.9518 -2.7437 -2.7385 3.9195 3.9321 4.0696 4.0936 4.6759 4.7026 4.8689 4.9358 5.0498 5.1322 5.4796 5.5009 7.6008 7.6171 7.7098 7.7360 7.7897 7.8411 7.9035 7.9314 8.3483 8.3664 8.4346 8.4419 8.9123 8.9405 8.9473 8.9695 9.1770 9.1966 k = 0.2821 0.4885-0.0000 ( 7901 PWs) bands (ev): -69.6236 -69.6236 -69.6226 -69.6226 -39.4435 -39.4422 -39.4410 -39.4400 -38.2566 -38.2556 -38.2538 -38.2534 -38.2354 -38.2337 -38.2333 -38.2316 -2.9800 -2.9768 -2.7367 -2.7312 3.9082 3.9208 4.0556 4.0826 4.6956 4.7311 4.8814 4.9407 5.0539 5.1333 5.5108 5.5324 7.5964 7.6107 7.7089 7.7341 7.8153 7.8654 7.9263 7.9545 8.3396 8.3622 8.3956 8.4074 8.8984 8.9411 8.9565 8.9640 9.2294 9.2473 k = 0.2756 0.4774-0.0000 ( 7891 PWs) bands (ev): -69.6230 -69.6230 -69.6221 -69.6221 -39.4435 -39.4422 -39.4409 -39.4400 -38.2566 -38.2556 -38.2538 -38.2534 -38.2354 -38.2336 -38.2333 -38.2315 -3.0063 -3.0032 -2.7308 -2.7252 3.9008 3.9133 4.0423 4.0726 4.7032 4.7490 4.8984 4.9406 5.0753 5.1431 5.5416 5.5635 7.5927 7.6050 7.7093 7.7346 7.8469 7.8947 7.9493 7.9770 8.3281 8.3533 8.3646 8.3794 8.8798 8.9230 8.9745 8.9823 9.2849 9.3019 k = 0.2692 0.4663-0.0000 ( 7881 PWs) bands (ev): -69.6226 -69.6226 -69.6212 -69.6212 -39.4435 -39.4422 -39.4409 -39.4400 -38.2566 -38.2556 -38.2537 -38.2533 -38.2353 -38.2336 -38.2332 -38.2315 -3.0339 -3.0310 -2.7264 -2.7205 3.8975 3.9096 4.0303 4.0643 4.6962 4.7497 4.9227 4.9497 5.1050 5.1602 5.5717 5.5938 7.5871 7.5978 7.7102 7.7364 7.8840 7.9292 7.9745 8.0012 8.3083 8.3201 8.3585 8.3611 8.8589 8.9026 8.9968 9.0060 9.3406 9.3570 k = 0.2628 0.4552-0.0000 ( 7895 PWs) bands (ev): -69.6237 -69.6237 -69.6219 -69.6219 -39.4435 -39.4422 -39.4408 -39.4400 -38.2566 -38.2556 -38.2537 -38.2533 -38.2352 -38.2336 -38.2331 -38.2315 -3.0629 -3.0602 -2.7233 -2.7172 3.8980 3.9098 4.0197 4.0578 4.6763 4.7331 4.9529 4.9713 5.1375 5.1818 5.6005 5.6226 7.5790 7.5884 7.7095 7.7368 7.9209 7.9642 7.9954 8.0204 8.2810 8.2854 8.3463 8.3497 8.8338 8.8787 9.0125 9.0226 9.3945 9.4105 k = 0.2564 0.4441-0.0000 ( 7907 PWs) bands (ev): -69.6247 -69.6247 -69.6223 -69.6223 -39.4434 -39.4422 -39.4408 -39.4400 -38.2567 -38.2556 -38.2537 -38.2533 -38.2352 -38.2336 -38.2330 -38.2315 -3.0931 -3.0905 -2.7215 -2.7153 3.9024 3.9139 4.0110 4.0538 4.6477 4.7060 4.9872 5.0016 5.1713 5.2068 5.6277 5.6498 7.5712 7.5793 7.7094 7.7384 7.9600 8.0019 8.0170 8.0377 8.2556 8.2565 8.3356 8.3418 8.8096 8.8561 9.0292 9.0404 9.4521 9.4680 k = 0.2500 0.4330-0.0000 ( 7911 PWs) bands (ev): -69.6251 -69.6251 -69.6224 -69.6224 -39.4434 -39.4422 -39.4407 -39.4400 -38.2567 -38.2556 -38.2537 -38.2533 -38.2351 -38.2336 -38.2329 -38.2315 -3.1245 -3.1220 -2.7211 -2.7147 3.9110 3.9220 4.0042 4.0523 4.6136 4.6736 5.0232 5.0359 5.2053 5.2338 5.6539 5.6760 7.5646 7.5712 7.7107 7.7418 8.0002 8.0404 8.0433 8.0582 8.2320 8.2382 8.3281 8.3355 8.7871 8.8356 9.0544 9.0666 9.5115 9.5274 k = 0.2436 0.4219-0.0000 ( 7919 PWs) bands (ev): -69.6256 -69.6256 -69.6229 -69.6229 -39.4434 -39.4422 -39.4407 -39.4400 -38.2567 -38.2557 -38.2536 -38.2533 -38.2350 -38.2336 -38.2329 -38.2314 -3.1569 -3.1546 -2.7221 -2.7156 3.9235 3.9340 3.9989 4.0534 4.5762 4.6393 5.0598 5.0717 5.2388 5.2617 5.6784 5.7006 7.5578 7.5634 7.7134 7.7467 8.0311 8.0583 8.0743 8.0923 8.2156 8.2284 8.3212 8.3281 8.7659 8.8166 9.0786 9.0918 9.5711 9.5871 k = 0.2372 0.4108-0.0000 ( 7907 PWs) bands (ev): -69.6245 -69.6245 -69.6225 -69.6225 -39.4433 -39.4421 -39.4406 -39.4399 -38.2567 -38.2556 -38.2536 -38.2532 -38.2349 -38.2335 -38.2327 -38.2314 -3.1902 -3.1880 -2.7245 -2.7178 3.9400 3.9501 3.9952 4.0569 4.5374 4.6053 5.0964 5.1078 5.2718 5.2902 5.7019 5.7242 7.5560 7.5602 7.7192 7.7546 8.0491 8.0628 8.1214 8.1413 8.2130 8.2325 8.3193 8.3242 8.7499 8.8030 9.1119 9.1262 9.6346 9.6508 k = 0.2308 0.3997-0.0000 ( 7897 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4433 -39.4421 -39.4406 -39.4399 -38.2567 -38.2556 -38.2535 -38.2532 -38.2347 -38.2335 -38.2326 -38.2313 -3.2243 -3.2223 -2.7282 -2.7214 3.9595 3.9697 3.9929 4.0622 4.4985 4.5728 5.1320 5.1432 5.3037 5.3183 5.7233 5.7457 7.5527 7.5559 7.7262 7.7639 8.0566 8.0613 8.1743 8.1905 8.2213 8.2457 8.3201 8.3204 8.7374 8.7929 9.1450 9.1606 9.6987 9.7153 k = 0.2244 0.3886-0.0000 ( 7897 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4432 -39.4421 -39.4405 -39.4399 -38.2567 -38.2556 -38.2535 -38.2532 -38.2346 -38.2334 -38.2325 -38.2313 -3.2592 -3.2573 -2.7332 -2.7264 3.9774 3.9926 3.9954 4.0684 4.4607 4.5427 5.1663 5.1771 5.3340 5.3453 5.7423 5.7647 7.5498 7.5520 7.7303 7.7702 8.0508 8.0514 8.2261 8.2337 8.2437 8.2695 8.3192 8.3294 8.7216 8.7798 9.1797 9.1969 9.7608 9.7778 k = 0.2179 0.3775-0.0000 ( 7897 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4432 -39.4420 -39.4404 -39.4398 -38.2567 -38.2556 -38.2534 -38.2531 -38.2345 -38.2334 -38.2324 -38.2312 -3.2947 -3.2930 -2.7396 -2.7327 3.9792 4.0164 4.0185 4.0747 4.4260 4.5171 5.1989 5.2094 5.3627 5.3712 5.7594 5.7818 7.5476 7.5490 7.7346 7.7772 8.0382 8.0419 8.2532 8.2564 8.2829 8.3051 8.3332 8.3588 8.7077 8.7687 9.2166 9.2355 9.8246 9.8422 k = 0.2115 0.3664-0.0000 ( 7899 PWs) bands (ev): -69.6235 -69.6235 -69.6226 -69.6226 -39.4431 -39.4420 -39.4404 -39.4398 -38.2567 -38.2556 -38.2533 -38.2531 -38.2344 -38.2333 -38.2323 -38.2312 -3.3307 -3.3291 -2.7472 -2.7402 3.9731 4.0452 4.0463 4.0806 4.3970 4.4968 5.2299 5.2401 5.3898 5.3960 5.7744 5.7969 7.5470 7.5476 7.7388 7.7837 8.0263 8.0319 8.2585 8.2797 8.2948 8.3337 8.3840 8.4111 8.6961 8.7596 9.2557 9.2767 9.8887 9.9069 k = 0.2051 0.3553-0.0000 ( 7889 PWs) bands (ev): -69.6236 -69.6236 -69.6214 -69.6214 -39.4431 -39.4420 -39.4403 -39.4397 -38.2567 -38.2556 -38.2532 -38.2530 -38.2343 -38.2333 -38.2321 -38.2311 -3.3670 -3.3656 -2.7559 -2.7489 3.9629 4.0612 4.0804 4.0954 4.3765 4.4836 5.2597 5.2694 5.4157 5.4198 5.7882 5.8108 7.5500 7.5500 7.7412 7.7889 8.0155 8.0222 8.2622 8.2890 8.3180 8.3636 8.4552 8.4800 8.6859 8.7515 9.2999 9.3234 9.9554 9.9745 k = 0.1987 0.3442-0.0000 ( 7889 PWs) bands (ev): -69.6236 -69.6236 -69.6214 -69.6214 -39.4430 -39.4419 -39.4402 -39.4397 -38.2568 -38.2556 -38.2532 -38.2530 -38.2341 -38.2332 -38.2320 -38.2310 -3.4036 -3.4023 -2.7657 -2.7587 3.9484 4.0551 4.1174 4.1265 4.3675 4.4780 5.2868 5.2958 5.4391 5.4414 5.7993 5.8220 7.5498 7.5505 7.7447 7.7942 8.0072 8.0142 8.2606 8.2860 8.3466 8.3906 8.5281 8.5510 8.6835 8.7500 9.3465 9.3724 10.0197 10.0399 k = 0.1923 0.3331-0.0000 ( 7887 PWs) bands (ev): -69.6233 -69.6233 -69.6215 -69.6215 -39.4430 -39.4419 -39.4401 -39.4396 -38.2568 -38.2556 -38.2531 -38.2529 -38.2340 -38.2331 -38.2318 -38.2310 -3.4403 -3.4392 -2.7766 -2.7696 3.9292 4.0362 4.1572 4.1641 4.3710 4.4804 5.3122 5.3205 5.4605 5.4611 5.8084 5.8312 7.5528 7.5541 7.7492 7.8002 8.0007 8.0075 8.2584 8.2825 8.3732 8.4132 8.6025 8.6239 8.6896 8.7546 9.3961 9.4247 10.0844 10.1058 k = 0.1859 0.3220-0.0000 ( 7885 PWs) bands (ev): -69.6230 -69.6230 -69.6216 -69.6216 -39.4429 -39.4419 -39.4400 -39.4396 -38.2568 -38.2556 -38.2531 -38.2529 -38.2339 -38.2330 -38.2317 -38.2309 -3.4771 -3.4760 -2.7883 -2.7814 3.9057 4.0083 4.1997 4.2051 4.3858 4.4905 5.3358 5.3433 5.4795 5.4803 5.8152 5.8382 7.5567 7.5585 7.7536 7.8053 7.9978 8.0037 8.2556 8.2786 8.3966 8.4306 8.6773 8.6905 8.7115 8.7656 9.4496 9.4813 10.1487 10.1715 k = 0.1795 0.3109-0.0000 ( 7891 PWs) bands (ev): -69.6231 -69.6231 -69.6222 -69.6222 -39.4429 -39.4418 -39.4400 -39.4396 -38.2568 -38.2556 -38.2530 -38.2529 -38.2337 -38.2330 -38.2316 -38.2308 -3.5138 -3.5128 -2.8010 -2.7940 3.8782 3.9743 4.2448 4.2487 4.4096 4.5079 5.3571 5.3634 5.4955 5.4974 5.8199 5.8434 7.5601 7.5625 7.7561 7.8082 7.9967 8.0008 8.2526 8.2748 8.4156 8.4406 8.7191 8.7471 8.7753 8.7827 9.5097 9.5436 10.2107 10.2344 k = 0.1731 0.2998-0.0000 ( 7887 PWs) bands (ev): -69.6229 -69.6229 -69.6220 -69.6220 -39.4428 -39.4418 -39.4399 -39.4395 -38.2568 -38.2555 -38.2529 -38.2528 -38.2336 -38.2329 -38.2314 -38.2307 -3.5502 -3.5493 -2.8143 -2.8074 3.8476 3.9363 4.2917 4.2945 4.4404 4.5319 5.3771 5.3825 5.5105 5.5134 5.8235 5.8471 7.5673 7.5700 7.7595 7.8111 7.9986 8.0004 8.2505 8.2718 8.4308 8.4457 8.7517 8.7990 8.8335 8.8528 9.5713 9.6087 10.2735 10.2984 k = 0.1667 0.2887-0.0000 ( 7889 PWs) bands (ev): -69.6234 -69.6234 -69.6218 -69.6218 -39.4428 -39.4417 -39.4398 -39.4395 -38.2568 -38.2556 -38.2529 -38.2527 -38.2335 -38.2328 -38.2313 -38.2307 -3.5863 -3.5855 -2.8282 -2.8215 3.8147 3.8962 4.3397 4.3415 4.4768 4.5617 5.3950 5.3994 5.5235 5.5274 5.8255 5.8492 7.5728 7.5758 7.7626 7.8133 8.0003 8.0016 8.2469 8.2674 8.4425 8.4468 8.7927 8.8348 8.9090 8.9309 9.6326 9.6735 10.3343 10.3602 k = 0.1603 0.2776-0.0000 ( 7893 PWs) bands (ev): -69.6234 -69.6234 -69.6223 -69.6223 -39.4427 -39.4417 -39.4398 -39.4394 -38.2568 -38.2556 -38.2528 -38.2527 -38.2333 -38.2328 -38.2312 -38.2306 -3.6220 -3.6213 -2.8427 -2.8361 3.7801 3.8549 4.3898 4.3902 4.5168 4.5956 5.4113 5.4142 5.5349 5.5394 5.8265 5.8504 7.5793 7.5827 7.7666 7.8156 8.0012 8.0063 8.2429 8.2628 8.4427 8.4482 8.8363 8.8723 8.9849 9.0079 9.7027 9.7461 10.3936 10.4194 k = 0.1538 0.2665-0.0000 ( 7889 PWs) bands (ev): -69.6232 -69.6232 -69.6220 -69.6220 -39.4427 -39.4417 -39.4397 -39.4394 -38.2568 -38.2556 -38.2528 -38.2526 -38.2332 -38.2327 -38.2310 -38.2305 -3.6570 -3.6564 -2.8576 -2.8511 3.7446 3.8131 4.4402 4.4409 4.5601 4.6335 5.4263 5.4280 5.5456 5.5508 5.8258 5.8498 7.5902 7.5937 7.7710 7.8180 8.0048 8.0136 8.2398 8.2588 8.4387 8.4520 8.8856 8.9167 9.0629 9.0869 9.7763 9.8233 10.4524 10.4787 k = 0.1474 0.2554-0.0000 ( 7877 PWs) bands (ev): -69.6224 -69.6224 -69.6214 -69.6214 -39.4426 -39.4416 -39.4396 -39.4393 -38.2567 -38.2555 -38.2527 -38.2526 -38.2330 -38.2326 -38.2309 -38.2304 -3.6914 -3.6909 -2.8729 -2.8665 3.7086 3.7715 4.4914 4.4932 4.6061 4.6748 5.4406 5.4411 5.5550 5.5605 5.8248 5.8490 7.6025 7.6061 7.7792 7.8242 8.0107 8.0233 8.2384 8.2569 8.4328 8.4530 8.9411 8.9681 9.1381 9.1628 9.8558 9.9055 10.5117 10.5376 k = 0.1410 0.2443-0.0000 ( 7881 PWs) bands (ev): -69.6229 -69.6229 -69.6214 -69.6214 -39.4425 -39.4416 -39.4395 -39.4392 -38.2567 -38.2556 -38.2526 -38.2525 -38.2329 -38.2325 -38.2307 -38.2303 -3.7251 -3.7247 -2.8883 -2.8821 3.6725 3.7304 4.5425 4.5456 4.6538 4.7183 5.4518 5.4526 5.5626 5.5683 5.8220 5.8462 7.6155 7.6192 7.7823 7.8248 8.0137 8.0308 8.2326 8.2505 8.4229 8.4496 8.9979 9.0215 9.2118 9.2372 9.9357 9.9885 10.5675 10.5934 k = 0.1346 0.2332-0.0000 ( 7885 PWs) bands (ev): -69.6234 -69.6234 -69.6215 -69.6215 -39.4425 -39.4415 -39.4394 -39.4392 -38.2567 -38.2556 -38.2526 -38.2524 -38.2328 -38.2324 -38.2306 -38.2303 -3.7579 -3.7575 -2.9038 -2.8979 3.6367 3.6899 4.5936 4.5979 4.7028 4.7635 5.4609 5.4633 5.5691 5.5752 5.8182 5.8424 7.6275 7.6313 7.7841 7.8244 8.0193 8.0404 8.2309 8.2483 8.4137 8.4455 9.0558 9.0770 9.2869 9.3127 10.0178 10.0731 10.6205 10.6459 k = 0.1282 0.2221-0.0000 ( 7887 PWs) bands (ev): -69.6237 -69.6237 -69.6215 -69.6215 -39.4424 -39.4415 -39.4394 -39.4391 -38.2567 -38.2556 -38.2525 -38.2524 -38.2327 -38.2324 -38.2305 -38.2302 -3.7898 -3.7895 -2.9194 -2.9136 3.6014 3.6505 4.6442 4.6498 4.7525 4.8099 5.4695 5.4735 5.5749 5.5812 5.8141 5.8380 7.6402 7.6441 7.7886 7.8266 8.0257 8.0508 8.2276 8.2446 8.4044 8.4405 9.1172 9.1366 9.3612 9.3873 10.1015 10.1588 10.6726 10.6971 k = 0.1218 0.2110-0.0000 ( 7883 PWs) bands (ev): -69.6233 -69.6233 -69.6215 -69.6215 -39.4424 -39.4415 -39.4393 -39.4391 -38.2567 -38.2556 -38.2524 -38.2523 -38.2325 -38.2323 -38.2304 -38.2301 -3.8206 -3.8203 -2.9348 -2.9293 3.5671 3.6122 4.6951 4.7023 4.8027 4.8570 5.4774 5.4832 5.5800 5.5863 5.8095 5.8334 7.6553 7.6592 7.7935 7.8290 8.0335 8.0628 8.2260 8.2427 8.3960 8.4359 9.1810 9.1990 9.4352 9.4613 10.1914 10.2495 10.7236 10.7462 k = 0.1154 0.1999-0.0000 ( 7875 PWs) bands (ev): -69.6229 -69.6229 -69.6209 -69.6209 -39.4423 -39.4414 -39.4392 -39.4390 -38.2567 -38.2556 -38.2524 -38.2522 -38.2324 -38.2322 -38.2302 -38.2300 -3.8503 -3.8501 -2.9501 -2.9448 3.5338 3.5754 4.7448 4.7532 4.8528 4.9042 5.4854 5.4926 5.5847 5.5909 5.8055 5.8290 7.6724 7.6763 7.7998 7.8329 8.0408 8.0741 8.2270 8.2435 8.3875 8.4305 9.2474 9.2643 9.5084 9.5343 10.2803 10.3391 10.7753 10.7960 k = 0.1090 0.1887-0.0000 ( 7877 PWs) bands (ev): -69.6237 -69.6237 -69.6203 -69.6203 -39.4423 -39.4414 -39.4392 -39.4389 -38.2567 -38.2556 -38.2523 -38.2522 -38.2323 -38.2321 -38.2301 -38.2299 -3.8789 -3.8787 -2.9651 -2.9600 3.5015 3.5399 4.7924 4.8022 4.9029 4.9517 5.4926 5.5013 5.5893 5.5955 5.8008 5.8240 7.6876 7.6914 7.8041 7.8350 8.0457 8.0825 8.2238 8.2400 8.3762 8.4219 9.3160 9.3322 9.5819 9.6073 10.3675 10.4259 10.8246 10.8424 k = 0.1026 0.1776-0.0000 ( 7865 PWs) bands (ev): -69.6232 -69.6232 -69.6194 -69.6194 -39.4422 -39.4414 -39.4391 -39.4389 -38.2566 -38.2557 -38.2522 -38.2521 -38.2322 -38.2320 -38.2299 -38.2298 -3.9061 -3.9059 -2.9797 -2.9749 3.4708 3.5060 4.8388 4.8498 4.9522 4.9985 5.5004 5.5104 5.5944 5.6006 5.7967 5.8196 7.7043 7.7080 7.8113 7.8396 8.0540 8.0947 8.2226 8.2388 8.3691 8.4169 9.3887 9.4042 9.6580 9.6824 10.4556 10.5123 10.8739 10.8878 k = 0.0962 0.1665-0.0000 ( 7867 PWs) bands (ev): -69.6235 -69.6235 -69.6192 -69.6192 -39.4421 -39.4413 -39.4390 -39.4388 -38.2566 -38.2557 -38.2522 -38.2521 -38.2321 -38.2319 -38.2298 -38.2297 -3.9321 -3.9319 -2.9939 -2.9893 3.4413 3.4737 4.8823 4.8950 4.9998 5.0436 5.5080 5.5198 5.5979 5.6039 5.7917 5.8143 7.7186 7.7223 7.8172 7.8432 8.0608 8.1055 8.2174 8.2337 8.3599 8.4100 9.4605 9.4756 9.7277 9.7512 10.5403 10.5924 10.9233 10.9306 k = 0.0897 0.1554-0.0000 ( 7871 PWs) bands (ev): -69.6239 -69.6239 -69.6194 -69.6194 -39.4421 -39.4413 -39.4390 -39.4388 -38.2566 -38.2557 -38.2521 -38.2520 -38.2320 -38.2318 -38.2297 -38.2296 -3.9566 -3.9565 -3.0075 -3.0032 3.4135 3.4431 4.9234 4.9373 5.0448 5.0861 5.5163 5.5291 5.6019 5.6076 5.7864 5.8084 7.7341 7.7375 7.8225 7.8462 8.0676 8.1156 8.2125 8.2291 8.3502 8.4018 9.5310 9.5454 9.7976 9.8199 10.6229 10.6696 10.9722 10.9722 k = 0.0833 0.1443-0.0000 ( 7859 PWs) bands (ev): -69.6230 -69.6230 -69.6188 -69.6188 -39.4420 -39.4413 -39.4389 -39.4387 -38.2566 -38.2557 -38.2521 -38.2520 -38.2319 -38.2318 -38.2296 -38.2295 -3.9797 -3.9796 -3.0205 -3.0164 3.3874 3.4144 4.9617 4.9767 5.0882 5.1268 5.5256 5.5394 5.6070 5.6127 5.7821 5.8037 7.7503 7.7536 7.8291 7.8505 8.0785 8.1298 8.2161 8.2329 8.3454 8.3979 9.6035 9.6175 9.8675 9.8882 10.7045 10.7417 11.0140 11.0252 k = 0.0769 0.1332-0.0000 ( 7855 PWs) bands (ev): -69.6223 -69.6223 -69.6190 -69.6190 -39.4419 -39.4413 -39.4388 -39.4387 -38.2565 -38.2557 -38.2520 -38.2519 -38.2317 -38.2317 -38.2295 -38.2294 -4.0013 -4.0013 -3.0328 -3.0290 3.3630 3.3875 4.9970 5.0129 5.1285 5.1644 5.5365 5.5507 5.6114 5.6167 5.7776 5.7986 7.7664 7.7695 7.8360 7.8548 8.0873 8.1421 8.2131 8.2305 8.3386 8.3920 9.6766 9.6898 9.9323 9.9513 10.7807 10.8070 11.0562 11.0800 k = 0.0705 0.1221-0.0000 ( 7855 PWs) bands (ev): -69.6223 -69.6223 -69.6190 -69.6190 -39.4419 -39.4413 -39.4388 -39.4386 -38.2565 -38.2558 -38.2520 -38.2519 -38.2317 -38.2316 -38.2294 -38.2294 -4.0214 -4.0214 -3.0443 -3.0408 3.3403 3.3625 5.0282 5.0442 5.1654 5.1985 5.5478 5.5618 5.6171 5.6221 5.7732 5.7932 7.7810 7.7839 7.8418 7.8587 8.0955 8.1531 8.2123 8.2306 8.3308 8.3844 9.7477 9.7602 9.9962 10.0133 10.8478 10.8632 11.1001 11.1363 k = 0.0641 0.1110-0.0000 ( 7861 PWs) bands (ev): -69.6231 -69.6231 -69.6189 -69.6189 -39.4418 -39.4413 -39.4387 -39.4386 -38.2565 -38.2558 -38.2520 -38.2519 -38.2316 -38.2316 -38.2293 -38.2293 -4.0399 -4.0398 -3.0550 -3.0519 3.3195 3.3394 5.0557 5.0719 5.1994 5.2296 5.5590 5.5726 5.6234 5.6281 5.7690 5.7885 7.7946 7.7974 7.8451 7.8601 8.1008 8.1607 8.2087 8.2282 8.3213 8.3747 9.8189 9.8305 10.0577 10.0727 10.9089 10.9113 11.1469 11.1974 k = 0.0577 0.0999-0.0000 ( 7861 PWs) bands (ev): -69.6231 -69.6231 -69.6189 -69.6189 -39.4418 -39.4413 -39.4387 -39.4386 -38.2564 -38.2558 -38.2519 -38.2518 -38.2315 -38.2315 -38.2293 -38.2292 -4.0567 -4.0567 -3.0649 -3.0620 3.3007 3.3183 5.0799 5.0958 5.2299 5.2570 5.5716 5.5841 5.6302 5.6344 5.7655 5.7841 7.8079 7.8106 7.8500 7.8629 8.1089 8.1711 8.2062 8.2269 8.3151 8.3677 9.8887 9.8993 10.1156 10.1285 10.9529 10.9611 11.1987 11.2613 k = 0.0513 0.0888-0.0000 ( 7857 PWs) bands (ev): -69.6223 -69.6223 -69.6191 -69.6191 -39.4417 -39.4413 -39.4386 -39.4385 -38.2564 -38.2558 -38.2519 -38.2518 -38.2314 -38.2314 -38.2292 -38.2292 -4.0719 -4.0719 -3.0738 -3.0713 3.2838 3.2993 5.1012 5.1166 5.2562 5.2802 5.5853 5.5963 5.6375 5.6412 5.7626 5.7804 7.8213 7.8238 7.8546 7.8656 8.1182 8.1822 8.2049 8.2273 8.3109 8.3622 9.9544 9.9638 10.1699 10.1806 10.9888 11.0051 11.2566 11.3287 k = 0.0449 0.0777-0.0000 ( 7855 PWs) bands (ev): -69.6220 -69.6220 -69.6192 -69.6192 -39.4417 -39.4413 -39.4386 -39.4385 -38.2564 -38.2559 -38.2519 -38.2518 -38.2314 -38.2314 -38.2291 -38.2291 -4.0853 -4.0853 -3.0818 -3.0796 3.2689 3.2824 5.1190 5.1335 5.2790 5.2997 5.5986 5.6076 5.6456 5.6487 5.7605 5.7774 7.8325 7.8350 7.8584 7.8674 8.1272 8.1926 8.2023 8.2263 8.3069 8.3563 10.0159 10.0240 10.2220 10.2303 11.0190 11.0398 11.3186 11.3970 k = 0.0385 0.0666-0.0000 ( 7851 PWs) bands (ev): -69.6216 -69.6216 -69.6191 -69.6191 -39.4416 -39.4413 -39.4386 -39.4385 -38.2563 -38.2559 -38.2519 -38.2518 -38.2313 -38.2313 -38.2291 -38.2291 -4.0970 -4.0970 -3.0888 -3.0868 3.2560 3.2675 5.1342 5.1469 5.2987 5.3162 5.6115 5.6182 5.6545 5.6567 5.7596 5.7747 7.8411 7.8436 7.8630 7.8701 8.1354 8.1977 8.2027 8.2254 8.3034 8.3497 10.0743 10.0808 10.2715 10.2776 11.0461 11.0662 11.3844 11.4639 k = 0.0321 0.0555-0.0000 ( 7851 PWs) bands (ev): -69.6215 -69.6215 -69.6192 -69.6192 -39.4416 -39.4413 -39.4385 -39.4385 -38.2563 -38.2559 -38.2518 -38.2518 -38.2313 -38.2313 -38.2290 -38.2290 -4.1070 -4.1070 -3.0947 -3.0931 3.2452 3.2547 5.1463 5.1575 5.3148 5.3292 5.6228 5.6273 5.6628 5.6639 5.7587 5.7721 7.8486 7.8511 7.8662 7.8716 8.1420 8.1961 8.2090 8.2267 8.2995 8.3412 10.1251 10.1300 10.3161 10.3203 11.0674 11.0867 11.4501 11.5307 k = 0.0256 0.0444-0.0000 ( 7855 PWs) bands (ev): -69.6220 -69.6220 -69.6192 -69.6192 -39.4415 -39.4413 -39.4385 -39.4385 -38.2563 -38.2560 -38.2518 -38.2518 -38.2312 -38.2312 -38.2290 -38.2290 -4.1152 -4.1152 -3.0996 -3.0983 3.2365 3.2441 5.1557 5.1652 5.3277 5.3390 5.6323 5.6350 5.6705 5.6709 5.7581 5.7697 7.8540 7.8562 7.8700 7.8740 8.1478 8.1912 8.2135 8.2246 8.2957 8.3322 10.1663 10.1698 10.3571 10.3596 11.0839 11.1012 11.5146 11.5939 k = 0.0192 0.0333-0.0000 ( 7845 PWs) bands (ev): -69.6215 -69.6215 -69.6184 -69.6184 -39.4415 -39.4413 -39.4385 -39.4384 -38.2562 -38.2560 -38.2518 -38.2518 -38.2312 -38.2312 -38.2289 -38.2289 -4.1215 -4.1215 -3.1034 -3.1024 3.2299 3.2356 5.1642 5.1710 5.3387 5.3471 5.6407 5.6419 5.6780 5.6781 5.7600 5.7688 7.8587 7.8605 7.8741 7.8770 8.1553 8.1876 8.2184 8.2250 8.2973 8.3261 10.2020 10.2042 10.3945 10.3955 11.1007 11.1136 11.5778 11.6498 k = 0.0128 0.0222-0.0000 ( 7831 PWs) bands (ev): -69.6211 -69.6211 -69.6171 -69.6171 -39.4414 -39.4413 -39.4384 -39.4384 -38.2562 -38.2561 -38.2518 -38.2517 -38.2311 -38.2311 -38.2289 -38.2289 -4.1261 -4.1261 -3.1061 -3.1054 3.2255 3.2292 5.1708 5.1752 5.3473 5.3529 5.6477 5.6480 5.6846 5.6846 5.7617 5.7678 7.8662 7.8676 7.8787 7.8803 8.1613 8.1831 8.2212 8.2251 8.2993 8.3193 10.2286 10.2299 10.4244 10.4247 11.1131 11.1217 11.6348 11.6909 k = 0.0064 0.0111-0.0000 ( 7801 PWs) bands (ev): -69.6191 -69.6191 -69.6155 -69.6155 -39.4414 -39.4413 -39.4384 -39.4384 -38.2561 -38.2560 -38.2517 -38.2517 -38.2311 -38.2311 -38.2288 -38.2288 -4.1287 -4.1287 -3.1076 -3.1073 3.2232 3.2251 5.1765 5.1789 5.3531 5.3558 5.6539 5.6540 5.6888 5.6888 5.7648 5.7682 7.8766 7.8778 7.8848 7.8850 8.1729 8.1835 8.2282 8.2291 8.3073 8.3179 10.2446 10.2452 10.4433 10.4434 11.1238 11.1286 11.6811 11.7119 k = 0.0000 0.0000 0.0000 ( 7789 PWs) bands (ev): -69.6181 -69.6181 -69.6150 -69.6150 -39.4413 -39.4413 -39.4384 -39.4384 -38.2560 -38.2560 -38.2517 -38.2517 -38.2310 -38.2310 -38.2288 -38.2288 -4.1296 -4.1296 -3.1080 -3.1080 3.2231 3.2231 5.1792 5.1792 5.3557 5.3557 5.6559 5.6559 5.6900 5.6900 5.7670 5.7670 7.8802 7.8802 7.8875 7.8875 8.1829 8.1829 8.2339 8.2339 8.3127 8.3127 10.2496 10.2496 10.4493 10.4493 11.1289 11.1289 11.7074 11.7074 k = 0.0000 0.0000 0.0000 ( 7789 PWs) bands (ev): -69.6181 -69.6181 -69.6150 -69.6150 -39.4413 -39.4413 -39.4384 -39.4384 -38.2560 -38.2560 -38.2517 -38.2517 -38.2310 -38.2310 -38.2288 -38.2288 -4.1296 -4.1296 -3.1080 -3.1080 3.2231 3.2231 5.1792 5.1792 5.3557 5.3557 5.6559 5.6559 5.6900 5.6900 5.7670 5.7670 7.8802 7.8802 7.8875 7.8875 8.1829 8.1829 8.2339 8.2339 8.3127 8.3127 10.2496 10.2496 10.4493 10.4493 11.1289 11.1289 11.7074 11.7074 k = 0.0000 0.0000 0.0127 ( 7819 PWs) bands (ev): -69.6200 -69.6200 -69.6168 -69.6168 -39.4414 -39.4414 -39.4384 -39.4384 -38.2561 -38.2561 -38.2517 -38.2517 -38.2311 -38.2311 -38.2288 -38.2288 -4.1288 -4.1288 -3.1094 -3.1094 3.2255 3.2255 5.1769 5.1769 5.3552 5.3552 5.6539 5.6539 5.6893 5.6893 5.7623 5.7623 7.8738 7.8738 7.8810 7.8810 8.1747 8.1747 8.2243 8.2243 8.3122 8.3122 10.2495 10.2495 10.4494 10.4494 11.1155 11.1155 11.6939 11.6939 k = 0.0000 0.0000 0.0254 ( 7806 PWs) bands (ev): -69.6189 -69.6189 -69.6163 -69.6163 -39.4413 -39.4413 -39.4384 -39.4384 -38.2560 -38.2560 -38.2517 -38.2517 -38.2311 -38.2311 -38.2288 -38.2288 -4.1261 -4.1261 -3.1134 -3.1134 3.2330 3.2330 5.1752 5.1752 5.3551 5.3551 5.6540 5.6540 5.6890 5.6890 5.7569 5.7569 7.8762 7.8762 7.8835 7.8835 8.1793 8.1793 8.2277 8.2277 8.3237 8.3237 10.2525 10.2525 10.4528 10.4528 11.0922 11.0922 11.6713 11.6713 k = 0.0000 0.0000 0.0381 ( 7830 PWs) bands (ev): -69.6200 -69.6200 -69.6182 -69.6182 -39.4413 -39.4413 -39.4384 -39.4384 -38.2561 -38.2561 -38.2518 -38.2518 -38.2311 -38.2311 -38.2289 -38.2289 -4.1217 -4.1217 -3.1203 -3.1203 3.2452 3.2452 5.1705 5.1705 5.3534 5.3534 5.6518 5.6518 5.6866 5.6866 5.7453 5.7453 7.8720 7.8720 7.8793 7.8794 8.1758 8.1758 8.2225 8.2225 8.3319 8.3319 10.2535 10.2535 10.4548 10.4548 11.0506 11.0506 11.6382 11.6382 k = 0.0000 0.0000 0.0508 ( 7824 PWs) bands (ev): -69.6202 -69.6202 -69.6173 -69.6173 -39.4413 -39.4413 -39.4384 -39.4384 -38.2560 -38.2560 -38.2518 -38.2518 -38.2311 -38.2311 -38.2289 -38.2289 -4.1154 -4.1154 -3.1299 -3.1299 3.2623 3.2623 5.1658 5.1658 5.3535 5.3535 5.6523 5.6523 5.6863 5.6863 5.7299 5.7299 7.8794 7.8794 7.8869 7.8869 8.1771 8.1771 8.2228 8.2228 8.3395 8.3395 10.2612 10.2612 10.4635 10.4635 10.9976 10.9976 11.6085 11.6085 k = 0.0000 0.0000 0.0635 ( 7824 PWs) bands (ev): -69.6202 -69.6202 -69.6173 -69.6173 -39.4413 -39.4413 -39.4385 -39.4385 -38.2560 -38.2560 -38.2518 -38.2518 -38.2311 -38.2311 -38.2289 -38.2289 -4.1075 -4.1075 -3.1420 -3.1420 3.2841 3.2841 5.1590 5.1590 5.3530 5.3530 5.6519 5.6519 5.6852 5.6852 5.7110 5.7110 7.8837 7.8837 7.8914 7.8914 8.1772 8.1772 8.2209 8.2209 8.3567 8.3567 10.2697 10.2697 10.4733 10.4733 10.9359 10.9359 11.5767 11.5767 k = 0.0000 0.0000 0.0762 ( 7830 PWs) bands (ev): -69.6203 -69.6203 -69.6181 -69.6181 -39.4413 -39.4413 -39.4385 -39.4385 -38.2559 -38.2559 -38.2519 -38.2519 -38.2311 -38.2311 -38.2289 -38.2289 -4.0977 -4.0977 -3.1564 -3.1564 3.3107 3.3107 5.1489 5.1489 5.3516 5.3516 5.6493 5.6493 5.6829 5.6829 5.6878 5.6878 7.8865 7.8865 7.8944 7.8944 8.1795 8.1795 8.2211 8.2211 8.3834 8.3834 10.2779 10.2779 10.4832 10.4832 10.8665 10.8665 11.5406 11.5406 k = 0.0000 0.0000 0.0889 ( 7842 PWs) bands (ev): -69.6214 -69.6214 -69.6185 -69.6185 -39.4413 -39.4413 -39.4385 -39.4385 -38.2559 -38.2559 -38.2519 -38.2519 -38.2311 -38.2311 -38.2289 -38.2289 -4.0863 -4.0863 -3.1735 -3.1735 3.3415 3.3415 5.1375 5.1375 5.3508 5.3508 5.6483 5.6483 5.6624 5.6624 5.6812 5.6812 7.8911 7.8911 7.8993 7.8993 8.1728 8.1728 8.2124 8.2124 8.4069 8.4069 10.2899 10.2899 10.4970 10.4971 10.7930 10.7930 11.5064 11.5064 k = 0.0000 0.0000 0.1017 ( 7842 PWs) bands (ev): -69.6214 -69.6214 -69.6185 -69.6185 -39.4413 -39.4413 -39.4385 -39.4385 -38.2559 -38.2559 -38.2520 -38.2520 -38.2311 -38.2311 -38.2289 -38.2289 -4.0732 -4.0732 -3.1927 -3.1927 3.3766 3.3766 5.1237 5.1237 5.3502 5.3502 5.6352 5.6352 5.6478 5.6478 5.6795 5.6795 7.8982 7.8982 7.9067 7.9067 8.1714 8.1714 8.2092 8.2092 8.4366 8.4366 10.3042 10.3042 10.5134 10.5134 10.7168 10.7168 11.4719 11.4719 k = 0.0000 0.0000 0.1144 ( 7842 PWs) bands (ev): -69.6215 -69.6215 -69.6184 -69.6184 -39.4413 -39.4413 -39.4385 -39.4385 -38.2558 -38.2558 -38.2520 -38.2520 -38.2311 -38.2311 -38.2289 -38.2289 -4.0584 -4.0584 -3.2140 -3.2140 3.4159 3.4159 5.1067 5.1067 5.3495 5.3495 5.6066 5.6066 5.6473 5.6473 5.6777 5.6777 7.9062 7.9062 7.9150 7.9150 8.1694 8.1694 8.2055 8.2055 8.4705 8.4705 10.3205 10.3205 10.5319 10.5319 10.6383 10.6383 11.4360 11.4360 k = 0.0000 0.0000 0.1271 ( 7842 PWs) bands (ev): -69.6212 -69.6212 -69.6188 -69.6188 -39.4412 -39.4412 -39.4386 -39.4386 -38.2558 -38.2558 -38.2521 -38.2521 -38.2311 -38.2311 -38.2289 -38.2289 -4.0420 -4.0420 -3.2373 -3.2373 3.4591 3.4591 5.0851 5.0851 5.3498 5.3498 5.5759 5.5759 5.6472 5.6472 5.6770 5.6770 7.9139 7.9139 7.9231 7.9231 8.1679 8.1679 8.2024 8.2025 8.5085 8.5085 10.3411 10.3411 10.5519 10.5519 10.5549 10.5549 11.3991 11.3991 k = 0.0000 0.0000 0.1398 ( 7848 PWs) bands (ev): -69.6219 -69.6219 -69.6188 -69.6188 -39.4412 -39.4412 -39.4386 -39.4386 -38.2557 -38.2557 -38.2522 -38.2522 -38.2311 -38.2311 -38.2289 -38.2289 -4.0240 -4.0240 -3.2624 -3.2624 3.5058 3.5058 5.0599 5.0599 5.3491 5.3491 5.5473 5.5473 5.6465 5.6465 5.6748 5.6748 7.9230 7.9230 7.9326 7.9326 8.1631 8.1631 8.1961 8.1962 8.5446 8.5446 10.3611 10.3611 10.4704 10.4704 10.5776 10.5776 11.3597 11.3597 k = 0.0000 0.0000 0.1525 ( 7836 PWs) bands (ev): -69.6216 -69.6216 -69.6177 -69.6177 -39.4412 -39.4412 -39.4386 -39.4386 -38.2557 -38.2557 -38.2522 -38.2522 -38.2311 -38.2311 -38.2289 -38.2289 -4.0044 -4.0044 -3.2891 -3.2891 3.5562 3.5562 5.0304 5.0304 5.3497 5.3497 5.5205 5.5205 5.6468 5.6468 5.6742 5.6742 7.9354 7.9354 7.9454 7.9454 8.1602 8.1602 8.1918 8.1918 8.5906 8.5906 10.3863 10.3863 10.3889 10.3889 10.6054 10.6054 11.3209 11.3209 k = 0.0000 0.0000 0.1652 ( 7836 PWs) bands (ev): -69.6217 -69.6217 -69.6177 -69.6177 -39.4412 -39.4412 -39.4386 -39.4386 -38.2556 -38.2556 -38.2523 -38.2523 -38.2311 -38.2311 -38.2289 -38.2289 -3.9834 -3.9834 -3.3173 -3.3173 3.6098 3.6098 4.9953 4.9953 5.3492 5.3492 5.4950 5.4950 5.6464 5.6464 5.6720 5.6720 7.9459 7.9459 7.9563 7.9563 8.1556 8.1556 8.1857 8.1857 8.6398 8.6398 10.3057 10.3057 10.4103 10.4103 10.6325 10.6325 11.2790 11.2790 k = 0.0000 0.0000 0.1779 ( 7842 PWs) bands (ev): -69.6217 -69.6217 -69.6184 -69.6184 -39.4411 -39.4411 -39.4387 -39.4387 -38.2555 -38.2555 -38.2524 -38.2524 -38.2311 -38.2311 -38.2289 -38.2289 -3.9610 -3.9610 -3.3467 -3.3467 3.6664 3.6664 4.9532 4.9532 5.3489 5.3489 5.4707 5.4707 5.6460 5.6460 5.6698 5.6698 7.9565 7.9565 7.9674 7.9675 8.1503 8.1503 8.1791 8.1791 8.6927 8.6927 10.2145 10.2145 10.4362 10.4362 10.6616 10.6616 11.2357 11.2357 k = 0.0000 0.0000 0.1906 ( 7830 PWs) bands (ev): -69.6207 -69.6207 -69.6181 -69.6181 -39.4411 -39.4411 -39.4387 -39.4387 -38.2554 -38.2554 -38.2524 -38.2524 -38.2310 -38.2310 -38.2289 -38.2289 -3.9371 -3.9371 -3.3772 -3.3772 3.7258 3.7258 4.9077 4.9077 5.3491 5.3491 5.4511 5.4511 5.6467 5.6467 5.6682 5.6682 7.9697 7.9697 7.9812 7.9812 8.1492 8.1492 8.1767 8.1768 8.7490 8.7490 10.1303 10.1303 10.4651 10.4651 10.6939 10.6939 11.1938 11.1938 k = 0.0000 0.0000 0.2033 ( 7830 PWs) bands (ev): -69.6208 -69.6208 -69.6181 -69.6181 -39.4411 -39.4411 -39.4387 -39.4387 -38.2554 -38.2554 -38.2525 -38.2525 -38.2310 -38.2310 -38.2289 -38.2289 -3.9120 -3.9120 -3.4086 -3.4086 3.7877 3.7877 4.8572 4.8572 5.3491 5.3491 5.4335 5.4335 5.6465 5.6465 5.6659 5.6660 7.9804 7.9804 7.9924 7.9924 8.1421 8.1421 8.1684 8.1684 8.8092 8.8092 10.0481 10.0481 10.4948 10.4948 10.7271 10.7271 11.1488 11.1488 k = 0.0000 0.0000 0.2160 ( 7824 PWs) bands (ev): -69.6206 -69.6206 -69.6175 -69.6175 -39.4411 -39.4411 -39.4387 -39.4387 -38.2553 -38.2553 -38.2525 -38.2525 -38.2310 -38.2310 -38.2289 -38.2289 -3.8856 -3.8856 -3.4408 -3.4408 3.8518 3.8518 4.8025 4.8025 5.3496 5.3496 5.4187 5.4187 5.6467 5.6467 5.6640 5.6640 7.9940 7.9940 8.0066 8.0066 8.1354 8.1354 8.1604 8.1605 8.8725 8.8725 9.9656 9.9656 10.5268 10.5268 10.7627 10.7627 11.1043 11.1043 k = 0.0000 0.0000 0.2287 ( 7812 PWs) bands (ev): -69.6201 -69.6201 -69.6167 -69.6167 -39.4410 -39.4410 -39.4387 -39.4387 -38.2552 -38.2552 -38.2526 -38.2526 -38.2310 -38.2310 -38.2289 -38.2289 -3.8580 -3.8580 -3.4735 -3.4735 3.9182 3.9182 4.7436 4.7436 5.3506 5.3506 5.4062 5.4062 5.6472 5.6472 5.6624 5.6624 8.0096 8.0096 8.0228 8.0228 8.1291 8.1291 8.1530 8.1530 8.9416 8.9416 9.8826 9.8826 10.5611 10.5611 10.8006 10.8006 11.0597 11.0597 k = 0.0000 0.0000 0.2414 ( 7842 PWs) bands (ev): -69.6211 -69.6211 -69.6194 -69.6194 -39.4410 -39.4410 -39.4388 -39.4388 -38.2552 -38.2552 -38.2527 -38.2527 -38.2310 -38.2310 -38.2289 -38.2289 -3.8295 -3.8295 -3.5068 -3.5068 3.9852 3.9852 4.6795 4.6795 5.3506 5.3506 5.3939 5.3939 5.6462 5.6462 5.6595 5.6595 8.0117 8.0117 8.0256 8.0256 8.1186 8.1186 8.1414 8.1414 9.0024 9.0024 9.7908 9.7908 10.5941 10.5941 10.8376 10.8376 11.0109 11.0109 k = 0.0000 0.0000 0.2541 ( 7842 PWs) bands (ev): -69.6212 -69.6212 -69.6195 -69.6195 -39.4410 -39.4410 -39.4388 -39.4388 -38.2552 -38.2552 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.7999 -3.7999 -3.5402 -3.5402 4.0541 4.0541 4.6144 4.6144 5.3519 5.3519 5.3848 5.3848 5.6466 5.6466 5.6576 5.6576 8.0237 8.0237 8.0383 8.0383 8.1095 8.1095 8.1313 8.1313 9.0730 9.0730 9.7067 9.7067 10.6307 10.6307 10.8781 10.8781 10.9654 10.9654 k = 0.0000 0.0000 0.2668 ( 7842 PWs) bands (ev): -69.6212 -69.6212 -69.6195 -69.6195 -39.4410 -39.4410 -39.4388 -39.4388 -38.2551 -38.2551 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.7694 -3.7694 -3.5738 -3.5738 4.1241 4.1241 4.5471 4.5471 5.3536 5.3536 5.3771 5.3771 5.6472 5.6472 5.6558 5.6558 8.0356 8.0356 8.0510 8.0510 8.0999 8.0999 8.1206 8.1206 9.1460 9.1460 9.6232 9.6232 10.6688 10.6688 10.9202 10.9202 10.9202 10.9202 k = 0.0000 0.0000 0.2795 ( 7842 PWs) bands (ev): -69.6212 -69.6212 -69.6195 -69.6195 -39.4410 -39.4410 -39.4388 -39.4388 -38.2551 -38.2551 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.7381 -3.7381 -3.6073 -3.6073 4.1948 4.1948 4.4781 4.4781 5.3559 5.3559 5.3708 5.3708 5.6479 5.6479 5.6542 5.6543 8.0475 8.0475 8.0637 8.0637 8.0897 8.0897 8.1095 8.1095 9.2211 9.2211 9.5406 9.5406 10.7084 10.7084 10.8755 10.8755 10.9637 10.9638 k = 0.0000 0.0000 0.2922 ( 7830 PWs) bands (ev): -69.6202 -69.6202 -69.6191 -69.6191 -39.4410 -39.4410 -39.4388 -39.4388 -38.2550 -38.2550 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.7061 -3.7061 -3.6406 -3.6406 4.2661 4.2661 4.4082 4.4082 5.3594 5.3594 5.3668 5.3668 5.6505 5.6505 5.6537 5.6537 8.0601 8.0601 8.0771 8.0771 8.0811 8.0811 8.0999 8.0999 9.2998 9.2998 9.4596 9.4596 10.7509 10.7509 10.8348 10.8348 11.0102 11.0102 k = 0.0000 0.0000 0.3050 ( 7824 PWs) bands (ev): -69.6197 -69.6197 -69.6189 -69.6189 -39.4410 -39.4410 -39.4388 -39.4388 -38.2550 -38.2550 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.6737 -3.6737 -3.6734 -3.6734 4.3372 4.3372 4.3375 4.3375 5.3627 5.3627 5.3635 5.3635 5.6521 5.6521 5.6530 5.6530 8.0713 8.0713 8.0728 8.0728 8.0891 8.0891 8.0906 8.0906 9.3786 9.3786 9.3800 9.3800 10.7928 10.7928 10.7938 10.7938 11.0562 11.0562 k = 0.0000 0.0000 0.3050 ( 7824 PWs) bands (ev): -69.6197 -69.6197 -69.6189 -69.6189 -39.4410 -39.4410 -39.4388 -39.4388 -38.2550 -38.2550 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.6737 -3.6737 -3.6734 -3.6734 4.3372 4.3372 4.3375 4.3375 5.3627 5.3627 5.3635 5.3635 5.6521 5.6521 5.6530 5.6530 8.0713 8.0713 8.0728 8.0728 8.0891 8.0891 8.0906 8.0906 9.3786 9.3786 9.3800 9.3800 10.7928 10.7928 10.7938 10.7938 11.0562 11.0562 k = 0.0111 0.0064 0.3050 ( 7836 PWs) bands (ev): -69.6205 -69.6205 -69.6196 -69.6196 -39.4410 -39.4410 -39.4388 -39.4388 -38.2551 -38.2550 -38.2529 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.6730 -3.6729 -3.6727 -3.6726 4.3358 4.3361 4.3378 4.3381 5.3598 5.3606 5.3628 5.3636 5.6504 5.6504 5.6513 5.6513 8.0691 8.0694 8.0706 8.0709 8.0872 8.0873 8.0887 8.0887 9.3768 9.3782 9.3785 9.3799 10.7852 10.7860 10.7862 10.7870 11.0477 11.0477 k = 0.0222 0.0128 0.3050 ( 7840 PWs) bands (ev): -69.6207 -69.6207 -69.6198 -69.6198 -39.4410 -39.4409 -39.4389 -39.4388 -38.2551 -38.2550 -38.2529 -38.2528 -38.2310 -38.2310 -38.2290 -38.2290 -3.6707 -3.6705 -3.6704 -3.6702 4.3340 4.3343 4.3379 4.3382 5.3564 5.3572 5.3625 5.3632 5.6487 5.6487 5.6496 5.6496 8.0682 8.0687 8.0696 8.0702 8.0864 8.0866 8.0879 8.0881 9.3748 9.3762 9.3783 9.3797 10.7690 10.7701 10.7707 10.7717 11.0288 11.0291 k = 0.0333 0.0192 0.3050 ( 7852 PWs) bands (ev): -69.6214 -69.6214 -69.6205 -69.6205 -39.4411 -39.4409 -39.4389 -39.4388 -38.2551 -38.2550 -38.2529 -38.2528 -38.2311 -38.2311 -38.2290 -38.2290 -3.6668 -3.6665 -3.6665 -3.6662 4.3315 4.3317 4.3373 4.3376 5.3514 5.3522 5.3604 5.3612 5.6453 5.6454 5.6462 5.6463 8.0662 8.0669 8.0676 8.0684 8.0846 8.0849 8.0861 8.0864 9.3715 9.3729 9.3767 9.3781 10.7410 10.7420 10.7435 10.7445 10.9984 10.9993 k = 0.0444 0.0257 0.3050 ( 7856 PWs) bands (ev): -69.6216 -69.6216 -69.6207 -69.6207 -39.4411 -39.4409 -39.4389 -39.4388 -38.2552 -38.2550 -38.2530 -38.2528 -38.2311 -38.2311 -38.2290 -38.2290 -3.6614 -3.6611 -3.6609 -3.6606 4.3285 4.3287 4.3362 4.3365 5.3461 5.3469 5.3580 5.3588 5.6421 5.6423 5.6430 5.6432 8.0645 8.0654 8.0660 8.0669 8.0832 8.0837 8.0847 8.0852 9.3692 9.3706 9.3763 9.3777 10.7039 10.7049 10.7073 10.7083 10.9622 10.9631 k = 0.0556 0.0321 0.3050 ( 7864 PWs) bands (ev): -69.6221 -69.6221 -69.6212 -69.6212 -39.4411 -39.4410 -39.4390 -39.4388 -38.2552 -38.2550 -38.2530 -38.2528 -38.2312 -38.2312 -38.2291 -38.2291 -3.6544 -3.6541 -3.6539 -3.6535 4.3247 4.3249 4.3343 4.3346 5.3393 5.3401 5.3542 5.3549 5.6380 5.6384 5.6389 5.6393 8.0623 8.0631 8.0638 8.0645 8.0813 8.0823 8.0828 8.0837 9.3658 9.3672 9.3748 9.3762 10.6547 10.6557 10.6588 10.6599 10.9213 10.9222 k = 0.0667 0.0385 0.3050 ( 7872 PWs) bands (ev): -69.6225 -69.6225 -69.6217 -69.6217 -39.4412 -39.4410 -39.4390 -39.4388 -38.2552 -38.2550 -38.2531 -38.2528 -38.2312 -38.2312 -38.2292 -38.2291 -3.6459 -3.6456 -3.6452 -3.6449 4.3202 4.3204 4.3315 4.3318 5.3317 5.3324 5.3493 5.3500 5.6336 5.6343 5.6344 5.6351 8.0595 8.0601 8.0610 8.0615 8.0787 8.0801 8.0801 8.0816 9.3625 9.3639 9.3736 9.3749 10.5965 10.5975 10.6008 10.6018 10.8773 10.8782 k = 0.0778 0.0449 0.3050 ( 7870 PWs) bands (ev): -69.6224 -69.6224 -69.6215 -69.6215 -39.4412 -39.4410 -39.4391 -39.4388 -38.2553 -38.2550 -38.2531 -38.2528 -38.2313 -38.2313 -38.2292 -38.2292 -3.6359 -3.6356 -3.6351 -3.6348 4.3149 4.3151 4.3279 4.3282 5.3236 5.3244 5.3441 5.3447 5.6298 5.6307 5.6308 5.6316 8.0579 8.0583 8.0594 8.0598 8.0772 8.0787 8.0791 8.0806 9.3604 9.3618 9.3737 9.3751 10.5316 10.5326 10.5355 10.5366 10.8331 10.8341 k = 0.0889 0.0513 0.3050 ( 7878 PWs) bands (ev): -69.6228 -69.6228 -69.6220 -69.6220 -39.4413 -39.4410 -39.4391 -39.4388 -38.2553 -38.2550 -38.2531 -38.2528 -38.2313 -38.2313 -38.2293 -38.2293 -3.6244 -3.6241 -3.6236 -3.6232 4.3083 4.3085 4.3230 4.3232 5.3144 5.3151 5.3374 5.3380 5.6261 5.6270 5.6274 5.6282 8.0512 8.0522 8.0527 8.0536 8.0726 8.0740 8.0761 8.0775 9.3578 9.3591 9.3736 9.3749 10.4580 10.4590 10.4609 10.4619 10.7883 10.7892 k = 0.1000 0.0577 0.3050 ( 7880 PWs) bands (ev): -69.6229 -69.6229 -69.6221 -69.6221 -39.4413 -39.4410 -39.4392 -39.4389 -38.2553 -38.2550 -38.2532 -38.2528 -38.2314 -38.2314 -38.2293 -38.2293 -3.6115 -3.6112 -3.6105 -3.6102 4.3004 4.3005 4.3164 4.3167 5.3042 5.3049 5.3295 5.3302 5.6225 5.6233 5.6241 5.6249 8.0481 8.0495 8.0498 8.0512 8.0710 8.0724 8.0755 8.0769 9.3536 9.3550 9.3722 9.3736 10.3800 10.3810 10.3811 10.3822 10.7418 10.7428 k = 0.1111 0.0642 0.3050 ( 7884 PWs) bands (ev): -69.6232 -69.6232 -69.6223 -69.6223 -39.4414 -39.4410 -39.4392 -39.4389 -38.2554 -38.2550 -38.2532 -38.2528 -38.2315 -38.2315 -38.2294 -38.2294 -3.5972 -3.5969 -3.5961 -3.5958 4.2906 4.2907 4.3080 4.3083 5.2937 5.2944 5.3210 5.3216 5.6199 5.6207 5.6217 5.6225 8.0427 8.0441 8.0455 8.0469 8.0684 8.0698 8.0742 8.0756 9.3481 9.3495 9.3697 9.3711 10.2974 10.2985 10.2987 10.2997 10.6953 10.6962 k = 0.1222 0.0706 0.3050 ( 7882 PWs) bands (ev): -69.6230 -69.6230 -69.6221 -69.6221 -39.4414 -39.4411 -39.4393 -39.4389 -38.2554 -38.2550 -38.2532 -38.2528 -38.2316 -38.2316 -38.2295 -38.2295 -3.5816 -3.5812 -3.5804 -3.5800 4.2792 4.2793 4.2977 4.2979 5.2833 5.2840 5.3123 5.3129 5.6183 5.6192 5.6203 5.6211 8.0389 8.0403 8.0426 8.0440 8.0664 8.0678 8.0733 8.0747 9.3423 9.3436 9.3674 9.3687 10.2129 10.2139 10.2172 10.2183 10.6476 10.6486 k = 0.1333 0.0770 0.3050 ( 7886 PWs) bands (ev): -69.6232 -69.6232 -69.6223 -69.6223 -39.4415 -39.4411 -39.4393 -39.4389 -38.2554 -38.2550 -38.2533 -38.2528 -38.2317 -38.2316 -38.2296 -38.2296 -3.5646 -3.5643 -3.5633 -3.5630 4.2653 4.2653 4.2847 4.2849 5.2726 5.2732 5.3028 5.3033 5.6168 5.6176 5.6188 5.6196 8.0355 8.0369 8.0400 8.0414 8.0645 8.0659 8.0723 8.0737 9.3330 9.3343 9.3619 9.3632 10.1265 10.1276 10.1346 10.1357 10.5970 10.5980 k = 0.1444 0.0834 0.3050 ( 7894 PWs) bands (ev): -69.6237 -69.6237 -69.6228 -69.6228 -39.4416 -39.4411 -39.4394 -39.4390 -38.2555 -38.2550 -38.2533 -38.2528 -38.2318 -38.2317 -38.2297 -38.2297 -3.5464 -3.5461 -3.5450 -3.5447 4.2492 4.2492 4.2692 4.2695 5.2621 5.2628 5.2931 5.2936 5.6162 5.6170 5.6182 5.6189 8.0278 8.0292 8.0336 8.0350 8.0620 8.0634 8.0711 8.0726 9.3228 9.3241 9.3563 9.3576 10.0397 10.0408 10.0524 10.0535 10.5455 10.5465 k = 0.1556 0.0898 0.3050 ( 7906 PWs) bands (ev): -69.6244 -69.6244 -69.6235 -69.6235 -39.4416 -39.4412 -39.4395 -39.4390 -38.2556 -38.2551 -38.2534 -38.2529 -38.2319 -38.2319 -38.2298 -38.2298 -3.5270 -3.5267 -3.5256 -3.5252 4.2304 4.2304 4.2509 4.2511 5.2525 5.2531 5.2838 5.2843 5.6164 5.6172 5.6183 5.6190 8.0182 8.0196 8.0252 8.0266 8.0586 8.0601 8.0690 8.0705 9.3101 9.3114 9.3488 9.3501 9.9540 9.9551 9.9721 9.9732 10.4927 10.4937 k = 0.1667 0.0962 0.3050 ( 7908 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4417 -39.4412 -39.4395 -39.4391 -38.2556 -38.2551 -38.2534 -38.2529 -38.2320 -38.2319 -38.2299 -38.2299 -3.5065 -3.5062 -3.5050 -3.5046 4.2090 4.2090 4.2297 4.2300 5.2443 5.2449 5.2757 5.2761 5.6178 5.6185 5.6195 5.6202 8.0126 8.0140 8.0205 8.0218 8.0571 8.0585 8.0685 8.0699 9.2935 9.2948 9.3379 9.3391 9.8736 9.8748 9.8978 9.8989 10.4397 10.4407 k = 0.1778 0.1026 0.3050 ( 7900 PWs) bands (ev): -69.6239 -69.6239 -69.6231 -69.6231 -39.4417 -39.4412 -39.4396 -39.4391 -38.2556 -38.2551 -38.2534 -38.2529 -38.2320 -38.2320 -38.2300 -38.2299 -3.4849 -3.4846 -3.4833 -3.4830 4.1849 4.1850 4.2057 4.2059 5.2380 5.2385 5.2689 5.2693 5.6209 5.6217 5.6223 5.6230 8.0083 8.0096 8.0171 8.0184 8.0578 8.0592 8.0701 8.0715 9.2752 9.2764 9.3257 9.3270 9.7974 9.7986 9.8283 9.8294 10.3882 10.3892 k = 0.1889 0.1091 0.3050 ( 7892 PWs) bands (ev): -69.6234 -69.6234 -69.6226 -69.6226 -39.4418 -39.4413 -39.4396 -39.4391 -38.2556 -38.2551 -38.2535 -38.2529 -38.2321 -38.2321 -38.2300 -38.2300 -3.4624 -3.4620 -3.4607 -3.4603 4.1581 4.1582 4.1787 4.1789 5.2335 5.2340 5.2637 5.2640 5.6250 5.6257 5.6260 5.6267 8.0025 8.0038 8.0122 8.0135 8.0566 8.0580 8.0697 8.0712 9.2530 9.2543 9.3098 9.3110 9.7283 9.7294 9.7659 9.7670 10.3367 10.3377 k = 0.2000 0.1155 0.3050 ( 7888 PWs) bands (ev): -69.6232 -69.6232 -69.6223 -69.6223 -39.4418 -39.4413 -39.4397 -39.4392 -38.2557 -38.2551 -38.2535 -38.2529 -38.2322 -38.2322 -38.2301 -38.2301 -3.4389 -3.4386 -3.4371 -3.4368 4.1283 4.1284 4.1484 4.1486 5.2304 5.2308 5.2593 5.2597 5.6289 5.6296 5.6296 5.6302 7.9974 7.9988 8.0080 8.0093 8.0568 8.0583 8.0708 8.0722 9.2241 9.2253 9.2864 9.2876 9.6653 9.6664 9.7092 9.7102 10.2829 10.2839 k = 0.2111 0.1219 0.3050 ( 7892 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4419 -39.4414 -39.4398 -39.4392 -38.2557 -38.2551 -38.2535 -38.2529 -38.2323 -38.2323 -38.2302 -38.2302 -3.4147 -3.4143 -3.4128 -3.4125 4.0954 4.0955 4.1147 4.1149 5.2287 5.2291 5.2561 5.2564 5.6334 5.6336 5.6342 5.6343 7.9893 7.9906 8.0008 8.0020 8.0575 8.0589 8.0722 8.0736 9.1881 9.1892 9.2545 9.2556 9.6088 9.6099 9.6574 9.6585 10.2292 10.2302 k = 0.2222 0.1283 0.3050 ( 7890 PWs) bands (ev): -69.6232 -69.6232 -69.6224 -69.6224 -39.4420 -39.4414 -39.4398 -39.4393 -38.2557 -38.2552 -38.2536 -38.2530 -38.2324 -38.2324 -38.2303 -38.2303 -3.3897 -3.3894 -3.3878 -3.3875 4.0600 4.0602 4.0786 4.0788 5.2292 5.2296 5.2550 5.2552 5.6385 5.6387 5.6391 5.6394 7.9825 7.9838 7.9948 7.9961 8.0578 8.0592 8.0731 8.0745 9.1480 9.1490 9.2159 9.2169 9.5647 9.5658 9.6154 9.6164 10.1758 10.1768 k = 0.2333 0.1347 0.3050 ( 7898 PWs) bands (ev): -69.6237 -69.6237 -69.6228 -69.6228 -39.4420 -39.4415 -39.4399 -39.4393 -38.2558 -38.2552 -38.2536 -38.2530 -38.2325 -38.2325 -38.2305 -38.2304 -3.3641 -3.3638 -3.3622 -3.3619 4.0221 4.0223 4.0397 4.0400 5.2312 5.2316 5.2550 5.2552 5.6430 5.6436 5.6437 5.6444 7.9736 7.9749 7.9868 7.9880 8.0576 8.0590 8.0735 8.0749 9.1008 9.1018 9.1676 9.1684 9.5291 9.5301 9.5793 9.5803 10.1208 10.1218 k = 0.2444 0.1411 0.3050 ( 7898 PWs) bands (ev): -69.6237 -69.6237 -69.6228 -69.6228 -39.4421 -39.4415 -39.4399 -39.4394 -38.2558 -38.2552 -38.2536 -38.2530 -38.2327 -38.2326 -38.2306 -38.2306 -3.3381 -3.3377 -3.3361 -3.3357 3.9823 3.9825 3.9989 3.9991 5.2353 5.2356 5.2568 5.2571 5.6483 5.6490 5.6496 5.6502 7.9648 7.9661 7.9787 7.9799 8.0590 8.0605 8.0756 8.0770 9.0520 9.0529 9.1156 9.1164 9.5033 9.5044 9.5512 9.5522 10.0673 10.0683 k = 0.2556 0.1475 0.3050 ( 7890 PWs) bands (ev): -69.6232 -69.6232 -69.6223 -69.6223 -39.4421 -39.4416 -39.4400 -39.4394 -38.2558 -38.2552 -38.2536 -38.2530 -38.2328 -38.2327 -38.2307 -38.2307 -3.3116 -3.3113 -3.3096 -3.3092 3.9405 3.9407 3.9560 3.9563 5.2411 5.2414 5.2605 5.2607 5.6550 5.6556 5.6567 5.6573 7.9586 7.9599 7.9734 7.9745 8.0631 8.0645 8.0801 8.0815 9.0004 9.0013 9.0598 9.0606 9.4827 9.4836 9.5268 9.5278 10.0168 10.0178 k = 0.2667 0.1540 0.3050 ( 7896 PWs) bands (ev): -69.6235 -69.6235 -69.6226 -69.6226 -39.4422 -39.4416 -39.4400 -39.4395 -38.2559 -38.2553 -38.2537 -38.2531 -38.2329 -38.2328 -38.2308 -38.2308 -3.2848 -3.2845 -3.2828 -3.2825 3.8970 3.8972 3.9115 3.9118 5.2479 5.2482 5.2652 5.2654 5.6609 5.6615 5.6631 5.6637 7.9493 7.9505 7.9647 7.9658 8.0645 8.0659 8.0819 8.0833 8.9459 8.9468 9.0006 9.0014 9.4662 9.4672 9.5062 9.5072 9.9639 9.9649 k = 0.2778 0.1604 0.3050 ( 7892 PWs) bands (ev): -69.6232 -69.6232 -69.6224 -69.6224 -39.4422 -39.4417 -39.4401 -39.4395 -38.2559 -38.2553 -38.2537 -38.2531 -38.2330 -38.2329 -38.2309 -38.2309 -3.2579 -3.2576 -3.2559 -3.2556 3.8526 3.8528 3.8661 3.8663 5.2559 5.2562 5.2712 5.2714 5.6672 5.6678 5.6697 5.6704 7.9444 7.9456 7.9605 7.9616 8.0682 8.0696 8.0859 8.0873 8.8922 8.8930 8.9424 8.9432 9.4530 9.4539 9.4891 9.4900 9.9122 9.9132 k = 0.2889 0.1668 0.3050 ( 7890 PWs) bands (ev): -69.6231 -69.6231 -69.6222 -69.6222 -39.4423 -39.4417 -39.4401 -39.4396 -38.2559 -38.2553 -38.2537 -38.2531 -38.2331 -38.2331 -38.2310 -38.2310 -3.2310 -3.2307 -3.2290 -3.2286 3.8073 3.8075 3.8198 3.8201 5.2651 5.2653 5.2783 5.2785 5.6737 5.6743 5.6766 5.6773 7.9392 7.9403 7.9560 7.9570 8.0706 8.0720 8.0886 8.0899 8.8383 8.8390 8.8841 8.8849 9.4433 9.4443 9.4755 9.4764 9.8612 9.8622 k = 0.3000 0.1732 0.3050 ( 7898 PWs) bands (ev): -69.6236 -69.6236 -69.6227 -69.6227 -39.4423 -39.4418 -39.4402 -39.4397 -38.2559 -38.2554 -38.2538 -38.2532 -38.2332 -38.2332 -38.2311 -38.2311 -3.2042 -3.2039 -3.2022 -3.2019 3.7613 3.7616 3.7729 3.7732 5.2744 5.2747 5.2858 5.2860 5.6803 5.6809 5.6835 5.6842 7.9319 7.9330 7.9494 7.9504 8.0735 8.0749 8.0917 8.0931 8.7826 8.7833 8.8245 8.8253 9.4318 9.4327 9.4603 9.4612 9.8116 9.8126 k = 0.3111 0.1796 0.3050 ( 7892 PWs) bands (ev): -69.6232 -69.6232 -69.6223 -69.6223 -39.4424 -39.4419 -39.4402 -39.4397 -38.2560 -38.2554 -38.2538 -38.2532 -38.2333 -38.2333 -38.2312 -38.2312 -3.1777 -3.1774 -3.1757 -3.1753 3.7156 3.7158 3.7262 3.7265 5.2847 5.2849 5.2942 5.2944 5.6874 5.6880 5.6909 5.6915 7.9291 7.9302 7.9472 7.9482 8.0790 8.0804 8.0973 8.0987 8.7312 8.7319 8.7698 8.7705 9.4223 9.4232 9.4476 9.4485 9.7643 9.7653 k = 0.3222 0.1860 0.3050 ( 7892 PWs) bands (ev): -69.6231 -69.6231 -69.6223 -69.6223 -39.4424 -39.4419 -39.4403 -39.4398 -38.2560 -38.2554 -38.2538 -38.2532 -38.2334 -38.2334 -38.2313 -38.2313 -3.1515 -3.1512 -3.1495 -3.1492 3.6700 3.6703 3.6798 3.6801 5.2952 5.2954 5.3030 5.3032 5.6947 5.6952 5.6984 5.6990 7.9249 7.9260 7.9436 7.9445 8.0837 8.0851 8.1020 8.1034 8.6799 8.6805 8.7151 8.7159 9.4133 9.4142 9.4355 9.4364 9.7192 9.7202 k = 0.3333 0.1925 0.3050 ( 7894 PWs) bands (ev): -69.6232 -69.6232 -69.6224 -69.6224 -39.4425 -39.4420 -39.4403 -39.4398 -38.2560 -38.2554 -38.2538 -38.2533 -38.2335 -38.2335 -38.2314 -38.2314 -3.1260 -3.1256 -3.1240 -3.1237 3.6251 3.6254 3.6341 3.6344 5.3057 5.3059 5.3119 5.3121 5.7014 5.7018 5.7052 5.7058 7.9223 7.9233 7.9415 7.9424 8.0880 8.0894 8.1063 8.1077 8.6317 8.6323 8.6641 8.6649 9.4037 9.4046 9.4230 9.4240 9.6737 9.6747 k = 0.3444 0.1989 0.3050 ( 7892 PWs) bands (ev): -69.6231 -69.6231 -69.6222 -69.6222 -39.4425 -39.4420 -39.4404 -39.4399 -38.2560 -38.2555 -38.2538 -38.2533 -38.2336 -38.2335 -38.2315 -38.2315 -3.1011 -3.1007 -3.0992 -3.0988 3.5814 3.5817 3.5897 3.5900 5.3161 5.3163 5.3210 5.3212 5.7084 5.7089 5.7124 5.7129 7.9188 7.9199 7.9383 7.9392 8.0949 8.0963 8.1131 8.1145 8.5871 8.5877 8.6169 8.6176 9.3939 9.3948 9.4107 9.4116 9.6318 9.6328 k = 0.3556 0.2053 0.3050 ( 7896 PWs) bands (ev): -69.6233 -69.6233 -69.6225 -69.6225 -39.4425 -39.4421 -39.4404 -39.4400 -38.2560 -38.2555 -38.2538 -38.2533 -38.2337 -38.2336 -38.2316 -38.2316 -3.0770 -3.0767 -3.0752 -3.0749 3.5390 3.5393 3.5466 3.5469 5.3262 5.3263 5.3299 5.3301 5.7149 5.7154 5.7189 5.7195 7.9157 7.9167 7.9353 7.9361 8.1005 8.1019 8.1184 8.1198 8.5439 8.5445 8.5713 8.5720 9.3840 9.3848 9.3983 9.3992 9.5906 9.5915 k = 0.3667 0.2117 0.3050 ( 7900 PWs) bands (ev): -69.6236 -69.6236 -69.6227 -69.6227 -39.4426 -39.4422 -39.4404 -39.4400 -38.2560 -38.2556 -38.2539 -38.2534 -38.2337 -38.2337 -38.2317 -38.2316 -3.0540 -3.0537 -3.0522 -3.0519 3.4982 3.4985 3.5051 3.5054 5.3358 5.3360 5.3386 5.3388 5.7214 5.7219 5.7254 5.7259 7.9155 7.9165 7.9354 7.9362 8.1060 8.1074 8.1235 8.1249 8.5004 8.5010 8.5259 8.5266 9.3735 9.3743 9.3856 9.3865 9.5527 9.5536 k = 0.3778 0.2181 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4426 -39.4422 -39.4405 -39.4401 -38.2561 -38.2556 -38.2539 -38.2534 -38.2338 -38.2338 -38.2318 -38.2317 -3.0321 -3.0318 -3.0304 -3.0301 3.4594 3.4596 3.4656 3.4659 5.3450 5.3451 5.3468 5.3470 5.7274 5.7278 5.7312 5.7317 7.9147 7.9158 7.9349 7.9357 8.1102 8.1116 8.1273 8.1287 8.4572 8.4578 8.4809 8.4817 9.3626 9.3633 9.3726 9.3735 9.5165 9.5173 k = 0.3889 0.2245 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4426 -39.4423 -39.4405 -39.4401 -38.2561 -38.2557 -38.2539 -38.2535 -38.2339 -38.2339 -38.2318 -38.2318 -3.0115 -3.0112 -3.0099 -3.0096 3.4231 3.4233 3.4287 3.4290 5.3536 5.3538 5.3548 5.3550 5.7334 5.7339 5.7371 5.7377 7.9171 7.9181 7.9373 7.9380 8.1171 8.1185 8.1337 8.1351 8.4201 8.4206 8.4420 8.4428 9.3509 9.3516 9.3591 9.3600 9.4852 9.4860 k = 0.4000 0.2309 0.3050 ( 7910 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4427 -39.4423 -39.4405 -39.4402 -38.2561 -38.2557 -38.2539 -38.2535 -38.2340 -38.2339 -38.2319 -38.2319 -2.9924 -2.9920 -2.9909 -2.9906 3.3892 3.3895 3.3942 3.3945 5.3618 5.3620 5.3624 5.3626 5.7395 5.7400 5.7430 5.7435 7.9211 7.9221 7.9412 7.9420 8.1254 8.1268 8.1413 8.1427 8.3831 8.3836 8.4036 8.4044 9.3393 9.3400 9.3460 9.3469 9.4586 9.4593 k = 0.4111 0.2374 0.3050 ( 7910 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4427 -39.4424 -39.4405 -39.4402 -38.2561 -38.2557 -38.2539 -38.2536 -38.2340 -38.2340 -38.2320 -38.2319 -2.9748 -2.9745 -2.9735 -2.9732 3.3582 3.3585 3.3627 3.3630 5.3695 5.3696 5.3696 5.3698 5.7452 5.7456 5.7484 5.7489 7.9259 7.9269 7.9458 7.9465 8.1309 8.1323 8.1460 8.1474 8.3488 8.3494 8.3678 8.3686 9.3279 9.3285 9.3333 9.3342 9.4364 9.4370 k = 0.4222 0.2438 0.3050 ( 7906 PWs) bands (ev): -69.6239 -69.6239 -69.6230 -69.6230 -39.4427 -39.4424 -39.4405 -39.4403 -38.2561 -38.2558 -38.2539 -38.2536 -38.2341 -38.2341 -38.2320 -38.2320 -2.9589 -2.9586 -2.9577 -2.9574 3.3305 3.3307 3.3343 3.3346 5.3762 5.3764 5.3764 5.3766 5.7503 5.7508 5.7533 5.7537 7.9324 7.9335 7.9518 7.9525 8.1379 8.1393 8.1521 8.1535 8.3189 8.3195 8.3361 8.3370 9.3154 9.3160 9.3198 9.3207 9.4181 9.4187 k = 0.4333 0.2502 0.3050 ( 7896 PWs) bands (ev): -69.6233 -69.6233 -69.6224 -69.6224 -39.4427 -39.4424 -39.4405 -39.4403 -38.2560 -38.2558 -38.2539 -38.2536 -38.2341 -38.2341 -38.2320 -38.2320 -2.9449 -2.9446 -2.9439 -2.9435 3.3060 3.3063 3.3093 3.3096 5.3822 5.3824 5.3826 5.3827 5.7554 5.7558 5.7579 5.7584 7.9408 7.9419 7.9594 7.9601 8.1470 8.1484 8.1602 8.1616 8.2910 8.2917 8.3066 8.3076 9.3033 9.3040 9.3071 9.3080 9.4049 9.4055 k = 0.4444 0.2566 0.3050 ( 7904 PWs) bands (ev): -69.6238 -69.6238 -69.6229 -69.6229 -39.4427 -39.4425 -39.4405 -39.4403 -38.2560 -38.2558 -38.2539 -38.2536 -38.2342 -38.2341 -38.2321 -38.2321 -2.9328 -2.9325 -2.9319 -2.9316 3.2849 3.2852 3.2876 3.2879 5.3868 5.3870 5.3873 5.3875 5.7590 5.7594 5.7611 5.7616 7.9468 7.9479 7.9639 7.9647 8.1511 8.1525 8.1633 8.1647 8.2646 8.2654 8.2781 8.2791 9.2892 9.2899 9.2925 9.2934 9.3930 9.3936 k = 0.4556 0.2630 0.3050 ( 7900 PWs) bands (ev): -69.6235 -69.6235 -69.6226 -69.6226 -39.4427 -39.4425 -39.4405 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2342 -38.2342 -38.2321 -38.2321 -2.9228 -2.9225 -2.9221 -2.9218 3.2675 3.2678 3.2697 3.2700 5.3911 5.3913 5.3916 5.3918 5.7628 5.7632 5.7645 5.7650 7.9538 7.9550 7.9689 7.9697 8.1587 8.1601 8.1697 8.1711 8.2427 8.2436 8.2535 8.2546 9.2790 9.2798 9.2818 9.2827 9.3859 9.3865 k = 0.4667 0.2694 0.3050 ( 7904 PWs) bands (ev): -69.6238 -69.6238 -69.6229 -69.6229 -39.4427 -39.4426 -39.4405 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2342 -38.2342 -38.2321 -38.2321 -2.9149 -2.9146 -2.9144 -2.9140 3.2538 3.2541 3.2554 3.2557 5.3942 5.3944 5.3946 5.3948 5.7655 5.7659 5.7668 5.7673 7.9600 7.9612 7.9723 7.9732 8.1629 8.1642 8.1726 8.1739 8.2249 8.2258 8.2325 8.2336 9.2695 9.2703 9.2717 9.2726 9.3803 9.3813 k = 0.4778 0.2758 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4427 -39.4426 -39.4405 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2342 -38.2342 -38.2322 -38.2321 -2.9092 -2.9089 -2.9088 -2.9085 3.2440 3.2442 3.2450 3.2453 5.3964 5.3967 5.3968 5.3969 5.7674 5.7678 5.7683 5.7687 7.9682 7.9694 7.9773 7.9784 8.1647 8.1660 8.1725 8.1738 8.2102 8.2113 8.2148 8.2160 9.2622 9.2630 9.2637 9.2646 9.3759 9.3787 k = 0.4889 0.2823 0.3050 ( 7888 PWs) bands (ev): -69.6228 -69.6228 -69.6219 -69.6219 -39.4426 -39.4426 -39.4405 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2342 -38.2342 -38.2321 -38.2321 -2.9056 -2.9055 -2.9053 -2.9051 3.2384 3.2387 3.2390 3.2393 5.3986 5.3988 5.3988 5.3990 5.7695 5.7699 5.7699 5.7704 7.9775 7.9787 7.9823 7.9835 8.1709 8.1722 8.1755 8.1769 8.2066 8.2078 8.2085 8.2097 9.2604 9.2612 9.2613 9.2621 9.3763 9.3776 k = 0.5000 0.2887 0.3050 ( 7884 PWs) bands (ev): -69.6225 -69.6225 -69.6216 -69.6216 -39.4426 -39.4426 -39.4405 -39.4405 -38.2559 -38.2559 -38.2538 -38.2538 -38.2342 -38.2342 -38.2321 -38.2321 -2.9044 -2.9044 -2.9041 -2.9041 3.2367 3.2367 3.2370 3.2370 5.3994 5.3994 5.3996 5.3996 5.7704 5.7704 5.7708 5.7708 7.9817 7.9817 7.9829 7.9829 8.1739 8.1739 8.1752 8.1752 8.2050 8.2050 8.2063 8.2063 9.2601 9.2601 9.2610 9.2610 9.3770 9.3774 k = 0.5000 0.2887 0.3050 ( 7884 PWs) bands (ev): -69.6225 -69.6225 -69.6216 -69.6216 -39.4426 -39.4426 -39.4405 -39.4405 -38.2559 -38.2559 -38.2538 -38.2538 -38.2342 -38.2342 -38.2321 -38.2321 -2.9044 -2.9044 -2.9041 -2.9041 3.2367 3.2367 3.2370 3.2370 5.3994 5.3994 5.3996 5.3996 5.7704 5.7704 5.7708 5.7708 7.9817 7.9817 7.9829 7.9829 8.1739 8.1739 8.1752 8.1752 8.2050 8.2050 8.2063 8.2063 9.2601 9.2601 9.2610 9.2610 9.3770 9.3770 k = 0.4936 0.2998 0.3050 ( 7894 PWs) bands (ev): -69.6231 -69.6231 -69.6223 -69.6223 -39.4427 -39.4426 -39.4405 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2343 -38.2342 -38.2322 -38.2321 -2.9043 -2.9040 -2.9039 -2.9036 3.2354 3.2357 3.2400 3.2403 5.3791 5.3792 5.4124 5.4125 5.7554 5.7557 5.7855 5.7859 7.9768 7.9781 7.9831 7.9843 8.1657 8.1668 8.1795 8.1806 8.1992 8.2005 8.2106 8.2118 9.2312 9.2320 9.2780 9.2788 9.3514 9.3521 k = 0.4872 0.3109 0.3050 ( 7906 PWs) bands (ev): -69.6239 -69.6239 -69.6230 -69.6230 -39.4427 -39.4426 -39.4406 -39.4404 -38.2560 -38.2559 -38.2538 -38.2537 -38.2344 -38.2341 -38.2323 -38.2320 -2.9036 -2.9032 -2.9027 -2.9024 3.2362 3.2365 3.2454 3.2457 5.3538 5.3540 5.4186 5.4187 5.7426 5.7429 5.8010 5.8014 7.9706 7.9718 7.9832 7.9844 8.1560 8.1570 8.1786 8.1795 8.1987 8.1997 8.2164 8.2175 9.1984 9.1993 9.2732 9.2742 9.3437 9.3446 k = 0.4808 0.3220 0.3050 ( 7906 PWs) bands (ev): -69.6239 -69.6239 -69.6230 -69.6230 -39.4428 -39.4425 -39.4406 -39.4404 -38.2560 -38.2559 -38.2539 -38.2537 -38.2344 -38.2341 -38.2323 -38.2320 -2.9022 -2.9019 -2.9010 -2.9006 3.2390 3.2393 3.2529 3.2532 5.3247 5.3250 5.4176 5.4177 5.7339 5.7342 5.8172 5.8176 7.9641 7.9654 7.9827 7.9839 8.1490 8.1499 8.1767 8.1773 8.2044 8.2052 8.2241 8.2252 9.1659 9.1667 9.2480 9.2489 9.3569 9.3578 k = 0.4744 0.3331 0.3050 ( 7916 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4428 -39.4425 -39.4407 -39.4404 -38.2561 -38.2559 -38.2539 -38.2537 -38.2345 -38.2340 -38.2324 -38.2320 -2.9002 -2.8999 -2.8986 -2.8983 3.2438 3.2441 3.2625 3.2628 5.2912 5.2914 5.4079 5.4081 5.7285 5.7288 5.8323 5.8328 7.9551 7.9564 7.9794 7.9807 8.1412 8.1422 8.1718 8.1725 8.2103 8.2111 8.2303 8.2314 9.1305 9.1314 9.2125 9.2134 9.3733 9.3742 k = 0.4679 0.3442 0.3050 ( 7906 PWs) bands (ev): -69.6238 -69.6238 -69.6230 -69.6230 -39.4428 -39.4425 -39.4407 -39.4403 -38.2561 -38.2559 -38.2539 -38.2537 -38.2346 -38.2340 -38.2325 -38.2319 -2.8976 -2.8973 -2.8956 -2.8953 3.2506 3.2508 3.2743 3.2745 5.2547 5.2549 5.3909 5.3911 5.7284 5.7287 5.8483 5.8488 7.9459 7.9473 7.9761 7.9773 8.1365 8.1375 8.1696 8.1703 8.2220 8.2228 8.2415 8.2425 9.0990 9.0999 9.1786 9.1795 9.3923 9.3931 k = 0.4615 0.3553 0.3050 ( 7910 PWs) bands (ev): -69.6241 -69.6241 -69.6232 -69.6232 -39.4429 -39.4424 -39.4407 -39.4403 -38.2561 -38.2558 -38.2539 -38.2537 -38.2346 -38.2340 -38.2326 -38.2319 -2.8944 -2.8941 -2.8920 -2.8917 3.2592 3.2595 3.2881 3.2883 5.2143 5.2146 5.3660 5.3663 5.7307 5.7311 5.8625 5.8630 7.9340 7.9354 7.9690 7.9703 8.1326 8.1335 8.1676 8.1684 8.2300 8.2309 8.2494 8.2504 9.0634 9.0643 9.1393 9.1402 9.4079 9.4087 k = 0.4551 0.3664 0.3050 ( 7914 PWs) bands (ev): -69.6243 -69.6243 -69.6235 -69.6234 -39.4429 -39.4424 -39.4408 -39.4403 -38.2561 -38.2558 -38.2539 -38.2537 -38.2347 -38.2339 -38.2327 -38.2319 -2.8907 -2.8904 -2.8880 -2.8876 3.2697 3.2699 3.3039 3.3042 5.1708 5.1710 5.3346 5.3350 5.7357 5.7361 5.8758 5.8763 7.9208 7.9222 7.9596 7.9610 8.1308 8.1317 8.1670 8.1679 8.2381 8.2389 8.2571 8.2581 9.0272 9.0282 9.0992 9.1001 9.4225 9.4233 k = 0.4487 0.3775 0.3050 ( 7922 PWs) bands (ev): -69.6248 -69.6248 -69.6239 -69.6239 -39.4430 -39.4424 -39.4408 -39.4402 -38.2562 -38.2558 -38.2540 -38.2537 -38.2348 -38.2339 -38.2327 -38.2318 -2.8866 -2.8863 -2.8834 -2.8831 3.2818 3.2820 3.3217 3.3219 5.1241 5.1244 5.2977 5.2981 5.7424 5.7427 5.8882 5.8887 7.9054 7.9068 7.9471 7.9485 8.1313 8.1323 8.1678 8.1687 8.2463 8.2472 8.2645 8.2655 8.9901 8.9910 9.0579 9.0588 9.4347 9.4355 k = 0.4423 0.3886 0.3050 ( 7924 PWs) bands (ev): -69.6249 -69.6249 -69.6241 -69.6241 -39.4430 -39.4424 -39.4409 -39.4402 -38.2562 -38.2558 -38.2540 -38.2536 -38.2349 -38.2339 -38.2328 -38.2318 -2.8819 -2.8816 -2.8784 -2.8781 3.2955 3.2958 3.3415 3.3417 5.0749 5.0752 5.2567 5.2571 5.7505 5.7509 5.9001 5.9005 7.8896 7.8910 7.9338 7.9352 8.1332 8.1342 8.1700 8.1709 8.2565 8.2574 8.2742 8.2751 8.9551 8.9561 9.0188 9.0197 9.4456 9.4464 k = 0.4359 0.3997 0.3050 ( 7916 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4431 -39.4423 -39.4409 -39.4402 -38.2562 -38.2558 -38.2540 -38.2536 -38.2349 -38.2338 -38.2329 -38.2318 -2.8769 -2.8766 -2.8730 -2.8727 3.3108 3.3111 3.3632 3.3634 5.0239 5.0242 5.2128 5.2132 5.7599 5.7603 5.9119 5.9124 7.8730 7.8744 7.9193 7.9207 8.1378 8.1388 8.1749 8.1759 8.2689 8.2698 8.2858 8.2867 8.9237 8.9246 8.9830 8.9839 9.4562 9.4569 k = 0.4295 0.4108 0.3050 ( 7924 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4431 -39.4423 -39.4410 -39.4402 -38.2562 -38.2558 -38.2540 -38.2536 -38.2350 -38.2338 -38.2330 -38.2318 -2.8715 -2.8712 -2.8673 -2.8670 3.3275 3.3277 3.3867 3.3870 4.9700 4.9703 5.1654 5.1658 5.7689 5.7693 5.9221 5.9226 7.8552 7.8567 7.9026 7.9040 8.1419 8.1429 8.1788 8.1799 8.2782 8.2792 8.2942 8.2952 8.8879 8.8889 8.9434 8.9443 9.4640 9.4647 k = 0.4231 0.4219 0.3050 ( 7932 PWs) bands (ev): -69.6255 -69.6255 -69.6246 -69.6246 -39.4432 -39.4423 -39.4410 -39.4402 -38.2563 -38.2558 -38.2541 -38.2536 -38.2351 -38.2338 -38.2330 -38.2318 -2.8659 -2.8656 -2.8613 -2.8610 3.3452 3.3455 3.4119 3.4121 4.9148 4.9151 5.1166 5.1170 5.7776 5.7780 5.9314 5.9318 7.8361 7.8375 7.8845 7.8859 8.1468 8.1478 8.1836 8.1847 8.2865 8.2875 8.3018 8.3028 8.8557 8.8567 8.9075 8.9084 9.4701 9.4708 k = 0.4167 0.4330 0.3050 ( 7932 PWs) bands (ev): -69.6255 -69.6255 -69.6246 -69.6246 -39.4432 -39.4423 -39.4411 -39.4402 -38.2563 -38.2558 -38.2541 -38.2536 -38.2352 -38.2338 -38.2331 -38.2317 -2.8600 -2.8597 -2.8552 -2.8548 3.3639 3.3642 3.4387 3.4389 4.8585 4.8588 5.0668 5.0672 5.7867 5.7871 5.9405 5.9410 7.8179 7.8194 7.8672 7.8686 8.1531 8.1541 8.1895 8.1907 8.2971 8.2981 8.3122 8.3132 8.8256 8.8265 8.8739 8.8748 9.4765 9.4771 k = 0.4103 0.4441 0.3050 ( 7940 PWs) bands (ev): -69.6260 -69.6260 -69.6251 -69.6251 -39.4433 -39.4423 -39.4411 -39.4402 -38.2563 -38.2558 -38.2541 -38.2536 -38.2353 -38.2338 -38.2332 -38.2317 -2.8540 -2.8537 -2.8489 -2.8486 3.3834 3.3836 3.4669 3.4671 4.8010 4.8013 5.0163 5.0167 5.7953 5.7957 5.9488 5.9492 7.7985 7.8000 7.8484 7.8499 8.1582 8.1594 8.1946 8.1958 8.3068 8.3078 8.3220 8.3230 8.7957 8.7966 8.8407 8.8416 9.4805 9.4811 k = 0.4038 0.4552 0.3050 ( 7928 PWs) bands (ev): -69.6252 -69.6252 -69.6244 -69.6244 -39.4433 -39.4423 -39.4411 -39.4401 -38.2563 -38.2557 -38.2541 -38.2536 -38.2353 -38.2338 -38.2332 -38.2317 -2.8480 -2.8477 -2.8425 -2.8422 3.4033 3.4036 3.4965 3.4967 4.7434 4.7437 4.9664 4.9668 5.8043 5.8047 5.9574 5.9579 7.7835 7.7850 7.8339 7.8354 8.1670 8.1682 8.2029 8.2042 8.3207 8.3217 8.3364 8.3374 8.7687 8.7697 8.8109 8.8118 9.4870 9.4876 k = 0.3974 0.4663 0.3050 ( 7924 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4433 -39.4423 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2536 -38.2354 -38.2338 -38.2333 -38.2317 -2.8419 -2.8416 -2.8362 -2.8359 3.4235 3.4237 3.5270 3.5273 4.6858 4.6861 4.9172 4.9176 5.8126 5.8130 5.9651 5.9655 7.7669 7.7684 7.8179 7.8193 8.1739 8.1752 8.2098 8.2111 8.3339 8.3349 8.3505 8.3515 8.7428 8.7437 8.7825 8.7833 9.4909 9.4915 k = 0.3910 0.4774 0.3050 ( 7922 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4433 -39.4423 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2354 -38.2338 -38.2333 -38.2317 -2.8360 -2.8357 -2.8301 -2.8298 3.4435 3.4437 3.5584 3.5587 4.6288 4.6291 4.8695 4.8700 5.8202 5.8206 5.9720 5.9724 7.7510 7.7525 7.8025 7.8040 8.1811 8.1824 8.2173 8.2186 8.3465 8.3475 8.3642 8.3653 8.7172 8.7181 8.7546 8.7555 9.4941 9.4945 k = 0.3846 0.4885 0.3050 ( 7918 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4434 -39.4422 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2354 -38.2337 -38.2334 -38.2317 -2.8303 -2.8300 -2.8242 -2.8238 3.4629 3.4631 3.5902 3.5904 4.5730 4.5733 4.8242 4.8246 5.8276 5.8280 5.9787 5.9791 7.7368 7.7383 7.7888 7.7902 8.1867 8.1880 8.2231 8.2245 8.3608 8.3619 8.3798 8.3808 8.6925 8.6934 8.7280 8.7288 9.4978 9.4982 k = 0.3782 0.4996 0.3050 ( 7918 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4434 -39.4422 -39.4412 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2355 -38.2337 -38.2334 -38.2317 -2.8249 -2.8246 -2.8186 -2.8182 3.4814 3.4816 3.6219 3.6221 4.5193 4.5196 4.7818 4.7822 5.8339 5.8343 5.9843 5.9847 7.7239 7.7254 7.7762 7.7777 8.1899 8.1912 8.2268 8.2282 8.3748 8.3759 8.3953 8.3963 8.6687 8.6696 8.7027 8.7035 9.5005 9.5009 k = 0.3718 0.5107 0.3050 ( 7918 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4434 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2355 -38.2337 -38.2335 -38.2317 -2.8199 -2.8196 -2.8134 -2.8131 3.4984 3.4986 3.6529 3.6531 4.4684 4.4688 4.7433 4.7437 5.8396 5.8400 5.9893 5.9897 7.7117 7.7132 7.7644 7.7659 8.1941 8.1954 8.2315 8.2329 8.3893 8.3904 8.4111 8.4121 8.6462 8.6470 8.6785 8.6793 9.5020 9.5023 k = 0.3654 0.5218 0.3050 ( 7922 PWs) bands (ev): -69.6248 -69.6248 -69.6240 -69.6240 -39.4434 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2335 -38.2317 -2.8154 -2.8151 -2.8087 -2.8084 3.5135 3.5137 3.6824 3.6826 4.4215 4.4218 4.7093 4.7097 5.8445 5.8449 5.9936 5.9940 7.7001 7.7016 7.7532 7.7547 8.1971 8.1985 8.2350 8.2364 8.4047 8.4057 8.4279 8.4289 8.6227 8.6235 8.6537 8.6545 9.5028 9.5031 k = 0.3590 0.5329 0.3050 ( 7922 PWs) bands (ev): -69.6248 -69.6248 -69.6240 -69.6240 -39.4434 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2338 -38.2335 -38.2317 -2.8115 -2.8112 -2.8047 -2.8044 3.5263 3.5265 3.7094 3.7095 4.3798 4.3801 4.6805 4.6809 5.8492 5.8496 5.9979 5.9983 7.6908 7.6923 7.7443 7.7458 8.1999 8.2013 8.2384 8.2398 8.4208 8.4218 8.4453 8.4463 8.6009 8.6017 8.6305 8.6313 9.5044 9.5046 k = 0.3526 0.5440 0.3050 ( 7912 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4434 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8083 -2.8080 -2.8014 -2.8011 3.5366 3.5368 3.7327 3.7328 4.3453 4.3456 4.6580 4.6584 5.8526 5.8530 6.0008 6.0013 7.6845 7.6860 7.7383 7.7398 8.2045 8.2059 8.2433 8.2447 8.4414 8.4423 8.4657 8.4666 8.5823 8.5829 8.6098 8.6105 9.5059 9.5061 k = 0.3462 0.5551 0.3050 ( 7904 PWs) bands (ev): -69.6237 -69.6237 -69.6229 -69.6228 -39.4434 -39.4422 -39.4413 -39.4401 -38.2563 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2316 -2.8059 -2.8056 -2.7989 -2.7986 3.5439 3.5441 3.7506 3.7507 4.3190 4.3193 4.6416 4.6420 5.8555 5.8559 6.0035 6.0039 7.6807 7.6822 7.7347 7.7361 8.2070 8.2084 8.2461 8.2475 8.4601 8.4610 8.4838 8.4847 8.5652 8.5658 8.5904 8.5911 9.5084 9.5085 k = 0.3397 0.5662 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8044 -2.8041 -2.7974 -2.7971 3.5481 3.5483 3.7618 3.7619 4.3025 4.3028 4.6316 4.6320 5.8569 5.8573 6.0048 6.0052 7.6771 7.6786 7.7312 7.7327 8.2070 8.2084 8.2464 8.2478 8.4755 8.4764 8.4943 8.4951 8.5526 8.5528 8.5710 8.5716 9.5095 9.5096 k = 0.3333 0.5774 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8039 -2.8036 -2.7968 -2.7965 3.5496 3.5498 3.7656 3.7657 4.2969 4.2972 4.6282 4.6287 5.8576 5.8580 6.0054 6.0059 7.6762 7.6777 7.7302 7.7317 8.2058 8.2072 8.2452 8.2466 8.4854 8.4859 8.4956 8.4963 8.5521 8.5523 8.5603 8.5608 9.5111 9.5113 k = 0.3333 0.5774 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8039 -2.8036 -2.7968 -2.7965 3.5496 3.5498 3.7656 3.7657 4.2969 4.2972 4.6282 4.6287 5.8576 5.8580 6.0054 6.0059 7.6762 7.6777 7.7302 7.7317 8.2058 8.2072 8.2452 8.2466 8.4854 8.4859 8.4956 8.4963 8.5521 8.5523 8.5603 8.5608 9.5111 9.5113 k = 0.3269 0.5662 0.3050 ( 7914 PWs) bands (ev): -69.6243 -69.6243 -69.6235 -69.6234 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8044 -2.8041 -2.7974 -2.7971 3.5482 3.5485 3.7620 3.7621 4.3022 4.3026 4.6314 4.6318 5.8568 5.8572 6.0047 6.0051 7.6757 7.6773 7.7298 7.7313 8.2053 8.2067 8.2447 8.2461 8.4745 8.4753 8.4936 8.4943 8.5518 8.5519 8.5703 8.5709 9.5091 9.5092 k = 0.3205 0.5551 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8061 -2.8058 -2.7992 -2.7989 3.5448 3.5450 3.7522 3.7523 4.3175 4.3179 4.6409 4.6413 5.8551 5.8555 6.0032 6.0037 7.6800 7.6815 7.7341 7.7356 8.2074 8.2087 8.2464 8.2478 8.4572 8.4581 8.4837 8.4845 8.5642 8.5645 8.5909 8.5916 9.5081 9.5083 k = 0.3141 0.5440 0.3050 ( 7918 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8091 -2.8088 -2.8022 -2.8019 3.5396 3.5398 3.7379 3.7380 4.3407 4.3410 4.6557 4.6561 5.8519 5.8523 6.0002 6.0007 7.6836 7.6851 7.7375 7.7389 8.2049 8.2062 8.2433 8.2446 8.4358 8.4368 8.4658 8.4666 8.5813 8.5817 8.6120 8.6126 9.5060 9.5062 k = 0.3077 0.5329 0.3050 ( 7918 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4434 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2335 -38.2317 -2.8133 -2.8130 -2.8065 -2.8062 3.5335 3.5338 3.7211 3.7212 4.3703 4.3706 4.6756 4.6760 5.8479 5.8483 5.9967 5.9971 7.6915 7.6930 7.7448 7.7463 8.2033 8.2046 8.2408 8.2421 8.4167 8.4177 8.4481 8.4489 8.6031 8.6035 8.6354 8.6359 9.5062 9.5064 k = 0.3013 0.5218 0.3050 ( 7902 PWs) bands (ev): -69.6236 -69.6236 -69.6227 -69.6227 -39.4434 -39.4422 -39.4413 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2355 -38.2337 -38.2335 -38.2316 -2.8189 -2.8186 -2.8122 -2.8119 3.5272 3.5274 3.7033 3.7035 4.4047 4.4050 4.7001 4.7005 5.8439 5.8443 5.9933 5.9937 7.7042 7.7057 7.7568 7.7583 8.2033 8.2047 8.2395 8.2408 8.3992 8.4002 8.4318 8.4326 8.6310 8.6313 8.6641 8.6646 9.5099 9.5101 k = 0.2949 0.5107 0.3050 ( 7902 PWs) bands (ev): -69.6236 -69.6236 -69.6227 -69.6227 -39.4434 -39.4422 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2355 -38.2337 -38.2334 -38.2316 -2.8259 -2.8256 -2.8194 -2.8190 3.5210 3.5212 3.6857 3.6859 4.4422 4.4425 4.7280 4.7284 5.8377 5.8381 5.9879 5.9884 7.7161 7.7175 7.7680 7.7694 8.2016 8.2029 8.2358 8.2371 8.3812 8.3821 8.4155 8.4162 8.6550 8.6553 8.6896 8.6900 9.5114 9.5116 k = 0.2885 0.4996 0.3050 ( 7906 PWs) bands (ev): -69.6239 -69.6239 -69.6230 -69.6230 -39.4434 -39.4422 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2354 -38.2337 -38.2334 -38.2316 -2.8344 -2.8341 -2.8280 -2.8277 3.5156 3.5158 3.6695 3.6697 4.4819 4.4822 4.7588 4.7592 5.8301 5.8305 5.9811 5.9816 7.7286 7.7301 7.7796 7.7810 8.1990 8.2002 8.2306 8.2317 8.3637 8.3646 8.4002 8.4009 8.6793 8.6795 8.7153 8.7157 9.5131 9.5134 k = 0.2821 0.4885 0.3050 ( 7910 PWs) bands (ev): -69.6241 -69.6241 -69.6232 -69.6232 -39.4433 -39.4422 -39.4412 -39.4401 -38.2563 -38.2557 -38.2541 -38.2535 -38.2354 -38.2337 -38.2333 -38.2316 -2.8443 -2.8440 -2.8381 -2.8378 3.5116 3.5118 3.6553 3.6555 4.5229 4.5232 4.7919 4.7923 5.8217 5.8221 5.9738 5.9742 7.7429 7.7444 7.7929 7.7943 8.1951 8.1961 8.2237 8.2247 8.3481 8.3489 8.3873 8.3878 8.7046 8.7048 8.7421 8.7425 9.5158 9.5162 k = 0.2756 0.4774 0.3050 ( 7902 PWs) bands (ev): -69.6236 -69.6236 -69.6228 -69.6228 -39.4433 -39.4422 -39.4411 -39.4400 -38.2563 -38.2556 -38.2541 -38.2535 -38.2353 -38.2336 -38.2333 -38.2316 -2.8557 -2.8554 -2.8496 -2.8493 3.5094 3.5097 3.6437 3.6439 4.5647 4.5651 4.8269 4.8273 5.8126 5.8130 5.9659 5.9663 7.7609 7.7623 7.8097 7.8110 8.1923 8.1931 8.2176 8.2184 8.3377 8.3383 8.3794 8.3797 8.7323 8.7325 8.7713 8.7716 9.5211 9.5215 k = 0.2692 0.4663 0.3050 ( 7902 PWs) bands (ev): -69.6236 -69.6236 -69.6228 -69.6228 -39.4433 -39.4422 -39.4411 -39.4400 -38.2563 -38.2556 -38.2541 -38.2535 -38.2352 -38.2336 -38.2332 -38.2315 -2.8686 -2.8683 -2.8627 -2.8624 3.5093 3.5095 3.6349 3.6351 4.6066 4.6069 4.8630 4.8634 5.8020 5.8024 5.9566 5.9570 7.7790 7.7804 7.8263 7.8276 8.1864 8.1868 8.2087 8.2092 8.3312 8.3316 8.3753 8.3755 8.7591 8.7592 8.7995 8.7998 9.5252 9.5256 k = 0.2628 0.4552 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4432 -39.4422 -39.4411 -39.4400 -38.2563 -38.2556 -38.2541 -38.2535 -38.2352 -38.2336 -38.2331 -38.2315 -2.8829 -2.8826 -2.8773 -2.8770 3.5116 3.5119 3.6293 3.6296 4.6479 4.6483 4.8994 4.8999 5.7904 5.7908 5.9465 5.9469 7.7966 7.7979 7.8421 7.8433 8.1768 8.1769 8.1969 8.1971 8.3274 8.3276 8.3737 8.3739 8.7848 8.7850 8.8271 8.8274 9.5312 9.5317 k = 0.2564 0.4441 0.3050 ( 7916 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4432 -39.4422 -39.4410 -39.4400 -38.2563 -38.2556 -38.2541 -38.2535 -38.2351 -38.2336 -38.2330 -38.2315 -2.8987 -2.8984 -2.8933 -2.8930 3.5166 3.5168 3.6270 3.6273 4.6886 4.6890 4.9361 4.9366 5.7778 5.7782 5.9355 5.9359 7.8133 7.8146 7.8566 7.8577 8.1658 8.1661 8.1854 8.1856 8.3271 8.3275 8.3752 8.3756 8.8123 8.8125 8.8562 8.8565 9.5372 9.5377 k = 0.2500 0.4330 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4431 -39.4421 -39.4410 -39.4400 -38.2563 -38.2556 -38.2541 -38.2534 -38.2350 -38.2336 -38.2329 -38.2315 -2.9159 -2.9155 -2.9107 -2.9104 3.5244 3.5246 3.6282 3.6285 4.7286 4.7289 4.9728 4.9733 5.7649 5.7652 5.9242 5.9246 7.8328 7.8339 7.8735 7.8745 8.1548 8.1555 8.1755 8.1759 8.3347 8.3353 8.3838 8.3843 8.8417 8.8419 8.8872 8.8875 9.5458 9.5463 k = 0.2436 0.4219 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4431 -39.4421 -39.4410 -39.4400 -38.2562 -38.2556 -38.2541 -38.2534 -38.2349 -38.2335 -38.2329 -38.2314 -2.9344 -2.9341 -2.9294 -2.9291 3.5350 3.5352 3.6328 3.6330 4.7672 4.7675 5.0089 5.0093 5.7506 5.7510 5.9117 5.9122 7.8501 7.8512 7.8880 7.8889 8.1430 8.1438 8.1655 8.1661 8.3495 8.3502 8.3989 8.3995 8.8713 8.8716 8.9185 8.9188 9.5527 9.5532 k = 0.2372 0.4108 0.3050 ( 7916 PWs) bands (ev): -69.6245 -69.6245 -69.6237 -69.6237 -39.4431 -39.4421 -39.4409 -39.4400 -38.2562 -38.2556 -38.2540 -38.2534 -38.2348 -38.2335 -38.2328 -38.2314 -2.9542 -2.9539 -2.9495 -2.9491 3.5484 3.5487 3.6408 3.6410 4.8040 4.8044 5.0438 5.0442 5.7358 5.7362 5.8987 5.8991 7.8668 7.8678 7.9018 7.9026 8.1293 8.1303 8.1539 8.1546 8.3686 8.3693 8.4175 8.4182 8.9004 8.9008 8.9494 8.9497 9.5613 9.5619 k = 0.2308 0.3997 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4430 -39.4421 -39.4408 -39.4399 -38.2562 -38.2556 -38.2540 -38.2534 -38.2347 -38.2334 -38.2327 -38.2314 -2.9752 -2.9748 -2.9707 -2.9704 3.5649 3.5651 3.6522 3.6525 4.8394 4.8397 5.0776 5.0780 5.7208 5.7212 5.8854 5.8859 7.8826 7.8835 7.9147 7.9154 8.1171 8.1181 8.1438 8.1446 8.3957 8.3963 8.4437 8.4443 8.9310 8.9314 8.9818 8.9822 9.5726 9.5732 k = 0.2244 0.3886 0.3050 ( 7912 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4429 -39.4421 -39.4408 -39.4399 -38.2562 -38.2555 -38.2540 -38.2534 -38.2346 -38.2334 -38.2325 -38.2313 -2.9973 -2.9969 -2.9930 -2.9927 3.5841 3.5844 3.6668 3.6670 4.8728 4.8732 5.1097 5.1101 5.7051 5.7055 5.8714 5.8719 7.8974 7.8982 7.9269 7.9275 8.1050 8.1061 8.1336 8.1345 8.4261 8.4267 8.4728 8.4734 8.9614 8.9619 9.0138 9.0142 9.5848 9.5854 k = 0.2179 0.3775 0.3050 ( 7916 PWs) bands (ev): -69.6245 -69.6245 -69.6237 -69.6237 -39.4429 -39.4420 -39.4407 -39.4399 -38.2562 -38.2555 -38.2540 -38.2533 -38.2345 -38.2334 -38.2324 -38.2313 -3.0204 -3.0201 -3.0163 -3.0160 3.6061 3.6063 3.6845 3.6847 4.9040 4.9044 5.1396 5.1400 5.6893 5.6897 5.8571 5.8576 7.9089 7.9097 7.9354 7.9359 8.0918 8.0930 8.1219 8.1229 8.4632 8.4637 8.5084 8.5090 8.9925 8.9930 9.0462 9.0467 9.5981 9.5987 k = 0.2115 0.3664 0.3050 ( 7918 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4428 -39.4420 -39.4407 -39.4398 -38.2562 -38.2555 -38.2540 -38.2533 -38.2344 -38.2333 -38.2323 -38.2312 -3.0445 -3.0442 -3.0406 -3.0403 3.6306 3.6308 3.7051 3.7053 4.9331 4.9335 5.1674 5.1679 5.6741 5.6745 5.8432 5.8436 7.9187 7.9195 7.9428 7.9433 8.0801 8.0813 8.1115 8.1126 8.5039 8.5043 8.5475 8.5481 9.0248 9.0254 9.0796 9.0802 9.6141 9.6148 k = 0.2051 0.3553 0.3050 ( 7918 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4428 -39.4420 -39.4406 -39.4398 -38.2561 -38.2555 -38.2539 -38.2533 -38.2343 -38.2332 -38.2322 -38.2312 -3.0694 -3.0690 -3.0657 -3.0654 3.6576 3.6578 3.7284 3.7286 4.9602 4.9605 5.1929 5.1934 5.6586 5.6590 5.8285 5.8290 7.9281 7.9289 7.9502 7.9508 8.0703 8.0716 8.1027 8.1039 8.5504 8.5507 8.5929 8.5934 9.0579 9.0585 9.1133 9.1139 9.6302 9.6309 k = 0.1987 0.3442 0.3050 ( 7922 PWs) bands (ev): -69.6250 -69.6249 -69.6241 -69.6241 -39.4427 -39.4419 -39.4406 -39.4398 -38.2561 -38.2555 -38.2539 -38.2533 -38.2341 -38.2332 -38.2321 -38.2311 -3.0950 -3.0947 -3.0915 -3.0912 3.6866 3.6869 3.7541 3.7543 4.9848 4.9851 5.2156 5.2160 5.6439 5.6442 5.8141 5.8145 7.9359 7.9367 7.9569 7.9575 8.0603 8.0616 8.0935 8.0948 8.5995 8.5999 8.6415 8.6420 9.0912 9.0919 9.1467 9.1473 9.6477 9.6485 k = 0.1923 0.3331 0.3050 ( 7924 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4427 -39.4419 -39.4405 -39.4397 -38.2561 -38.2554 -38.2539 -38.2533 -38.2340 -38.2331 -38.2319 -38.2310 -3.1212 -3.1208 -3.1179 -3.1175 3.7177 3.7179 3.7819 3.7821 5.0073 5.0076 5.2354 5.2359 5.6300 5.6304 5.7998 5.8003 7.9427 7.9436 7.9635 7.9641 8.0519 8.0531 8.0857 8.0869 8.6524 8.6529 8.6946 8.6952 9.1247 9.1254 9.1795 9.1802 9.6679 9.6687 k = 0.1859 0.3220 0.3050 ( 7924 PWs) bands (ev): -69.6251 -69.6251 -69.6243 -69.6242 -39.4426 -39.4419 -39.4404 -39.4397 -38.2561 -38.2554 -38.2539 -38.2532 -38.2339 -38.2331 -38.2318 -38.2310 -3.1478 -3.1475 -3.1447 -3.1444 3.7505 3.7507 3.8117 3.8120 5.0281 5.0284 5.2526 5.2531 5.6172 5.6176 5.7855 5.7860 7.9480 7.9490 7.9684 7.9691 8.0460 8.0473 8.0801 8.0814 8.7082 8.7087 8.7512 8.7518 9.1596 9.1604 9.2128 9.2136 9.6908 9.6917 k = 0.1795 0.3109 0.3050 ( 7920 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4425 -39.4418 -39.4404 -39.4397 -38.2560 -38.2554 -38.2539 -38.2532 -38.2337 -38.2330 -38.2317 -38.2309 -3.1748 -3.1745 -3.1718 -3.1715 3.7849 3.7851 3.8432 3.8435 5.0471 5.0474 5.2669 5.2673 5.6057 5.6062 5.7713 5.7718 7.9537 7.9546 7.9739 7.9747 8.0423 8.0436 8.0765 8.0778 8.7671 8.7678 8.8120 8.8126 9.1943 9.1951 9.2448 9.2456 9.7177 9.7186 k = 0.1731 0.2998 0.3050 ( 7908 PWs) bands (ev): -69.6242 -69.6242 -69.6233 -69.6233 -39.4425 -39.4417 -39.4403 -39.4396 -38.2560 -38.2553 -38.2538 -38.2532 -38.2336 -38.2329 -38.2315 -38.2308 -3.2021 -3.2018 -3.1992 -3.1989 3.8205 3.8207 3.8760 3.8762 5.0646 5.0649 5.2782 5.2786 5.5964 5.5968 5.7581 5.7586 7.9618 7.9628 7.9820 7.9828 8.0411 8.0425 8.0752 8.0765 8.8278 8.8285 8.8752 8.8759 9.2305 9.2313 9.2775 9.2784 9.7483 9.7492 k = 0.1667 0.2887 0.3050 ( 7912 PWs) bands (ev): -69.6245 -69.6245 -69.6236 -69.6236 -39.4424 -39.4417 -39.4402 -39.4396 -38.2560 -38.2553 -38.2538 -38.2531 -38.2334 -38.2328 -38.2314 -38.2307 -3.2294 -3.2291 -3.2267 -3.2264 3.8566 3.8568 3.9095 3.9097 5.0799 5.0802 5.2862 5.2865 5.5884 5.5889 5.7449 5.7454 7.9658 7.9669 7.9863 7.9872 8.0372 8.0385 8.0709 8.0723 8.8860 8.8867 8.9369 8.9376 9.2662 9.2671 9.3098 9.3106 9.7803 9.7813 k = 0.1603 0.2776 0.3050 ( 7920 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4423 -39.4417 -39.4402 -39.4395 -38.2560 -38.2553 -38.2538 -38.2531 -38.2333 -38.2327 -38.2312 -38.2307 -3.2568 -3.2565 -3.2543 -3.2539 3.8932 3.8934 3.9436 3.9437 5.0937 5.0940 5.2913 5.2916 5.5824 5.5829 5.7323 5.7329 7.9678 7.9689 7.9887 7.9896 8.0329 8.0341 8.0661 8.0674 8.9433 8.9441 8.9983 8.9991 9.3014 9.3022 9.3425 9.3433 9.8168 9.8177 k = 0.1538 0.2665 0.3050 ( 7920 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4423 -39.4416 -39.4401 -39.4395 -38.2559 -38.2553 -38.2537 -38.2531 -38.2332 -38.2327 -38.2311 -38.2306 -3.2841 -3.2838 -3.2816 -3.2813 3.9301 3.9303 3.9779 3.9781 5.1068 5.1072 5.2943 5.2946 5.5779 5.5784 5.7200 5.7206 7.9733 7.9744 7.9941 7.9950 8.0310 8.0323 8.0636 8.0649 8.9997 9.0005 9.0595 9.0603 9.3382 9.3388 9.3788 9.3794 9.8566 9.8576 k = 0.1474 0.2554 0.3050 ( 7922 PWs) bands (ev): -69.6251 -69.6251 -69.6243 -69.6243 -39.4422 -39.4416 -39.4401 -39.4394 -38.2559 -38.2552 -38.2537 -38.2531 -38.2330 -38.2326 -38.2310 -38.2305 -3.3111 -3.3108 -3.3087 -3.3084 3.9666 3.9668 4.0119 4.0121 5.1190 5.1194 5.2952 5.2955 5.5753 5.5758 5.7086 5.7091 7.9776 7.9787 7.9983 7.9993 8.0302 8.0315 8.0619 8.0633 9.0527 9.0537 9.1172 9.1180 9.3759 9.3762 9.4195 9.4198 9.8996 9.9006 k = 0.1410 0.2443 0.3050 ( 7914 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4421 -39.4415 -39.4400 -39.4394 -38.2558 -38.2552 -38.2537 -38.2530 -38.2329 -38.2325 -38.2308 -38.2304 -3.3378 -3.3375 -3.3355 -3.3352 4.0029 4.0031 4.0458 4.0460 5.1311 5.1315 5.2957 5.2960 5.5743 5.5749 5.6985 5.6990 7.9833 7.9845 8.0041 8.0051 8.0302 8.0314 8.0609 8.0623 9.1039 9.1049 9.1721 9.1730 9.4173 9.4176 9.4667 9.4669 9.9485 9.9495 k = 0.1346 0.2332 0.3050 ( 7914 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4421 -39.4415 -39.4399 -39.4393 -38.2558 -38.2552 -38.2536 -38.2530 -38.2328 -38.2324 -38.2307 -38.2303 -3.3640 -3.3637 -3.3619 -3.3615 4.0378 4.0379 4.0782 4.0784 5.1426 5.1430 5.2947 5.2950 5.5743 5.5749 5.6884 5.6890 7.9892 7.9904 8.0096 8.0106 8.0314 8.0326 8.0611 8.0625 9.1469 9.1480 9.2165 9.2175 9.4624 9.4628 9.5180 9.5183 9.9985 9.9996 k = 0.1282 0.2221 0.3050 ( 7922 PWs) bands (ev): -69.6252 -69.6252 -69.6243 -69.6243 -39.4420 -39.4414 -39.4399 -39.4393 -38.2558 -38.2552 -38.2536 -38.2530 -38.2326 -38.2323 -38.2306 -38.2302 -3.3897 -3.3894 -3.3877 -3.3873 4.0712 4.0713 4.1092 4.1094 5.1540 5.1544 5.2932 5.2935 5.5748 5.5754 5.6784 5.6790 7.9922 7.9933 8.0125 8.0135 8.0320 8.0333 8.0603 8.0617 9.1833 9.1844 9.2518 9.2529 9.5133 9.5139 9.5735 9.5740 10.0517 10.0527 k = 0.1218 0.2110 0.3050 ( 7924 PWs) bands (ev): -69.6254 -69.6254 -69.6245 -69.6245 -39.4420 -39.4414 -39.4398 -39.4392 -38.2558 -38.2552 -38.2536 -38.2530 -38.2325 -38.2322 -38.2304 -38.2302 -3.4148 -3.4145 -3.4128 -3.4125 4.1033 4.1034 4.1390 4.1392 5.1659 5.1663 5.2925 5.2928 5.5763 5.5769 5.6697 5.6703 7.9956 7.9968 8.0154 8.0164 8.0322 8.0333 8.0589 8.0603 9.2159 9.2170 9.2806 9.2818 9.5737 9.5744 9.6364 9.6371 10.1085 10.1095 k = 0.1154 0.1999 0.3050 ( 7916 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4419 -39.4413 -39.4397 -39.4392 -38.2557 -38.2551 -38.2535 -38.2530 -38.2324 -38.2321 -38.2303 -38.2301 -3.4391 -3.4388 -3.4372 -3.4369 4.1337 4.1337 4.1672 4.1674 5.1784 5.1789 5.2929 5.2932 5.5784 5.5791 5.6622 5.6628 8.0018 8.0029 8.0207 8.0217 8.0349 8.0360 8.0599 8.0612 9.2445 9.2457 9.3039 9.3050 9.6415 9.6423 9.7052 9.7059 10.1686 10.1696 k = 0.1090 0.1887 0.3050 ( 7908 PWs) bands (ev): -69.6244 -69.6244 -69.6236 -69.6236 -39.4418 -39.4413 -39.4397 -39.4391 -38.2557 -38.2551 -38.2535 -38.2529 -38.2322 -38.2320 -38.2302 -38.2300 -3.4625 -3.4622 -3.4608 -3.4604 4.1617 4.1618 4.1930 4.1932 5.1915 5.1920 5.2938 5.2942 5.5814 5.5821 5.6554 5.6560 8.0083 8.0095 8.0262 8.0272 8.0387 8.0398 8.0619 8.0632 9.2685 9.2697 9.3220 9.3232 9.7137 9.7146 9.7768 9.7776 10.2302 10.2311 k = 0.1026 0.1776 0.3050 ( 7912 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4418 -39.4412 -39.4396 -39.4391 -38.2556 -38.2551 -38.2535 -38.2529 -38.2321 -38.2320 -38.2301 -38.2299 -3.4851 -3.4848 -3.4834 -3.4831 4.1873 4.1874 4.2165 4.2167 5.2044 5.2049 5.2954 5.2959 5.5835 5.5842 5.6485 5.6492 8.0128 8.0140 8.0291 8.0300 8.0413 8.0425 8.0622 8.0635 9.2861 9.2873 9.3335 9.3348 9.7887 9.7896 9.8510 9.8518 10.2909 10.2918 k = 0.0962 0.1665 0.3050 ( 7916 PWs) bands (ev): -69.6250 -69.6250 -69.6241 -69.6241 -39.4417 -39.4412 -39.4395 -39.4391 -38.2556 -38.2551 -38.2534 -38.2529 -38.2320 -38.2319 -38.2300 -38.2298 -3.5067 -3.5064 -3.5051 -3.5048 4.2104 4.2104 4.2375 4.2377 5.2179 5.2184 5.2980 5.2984 5.5865 5.5872 5.6426 5.6433 8.0165 8.0177 8.0313 8.0323 8.0438 8.0449 8.0626 8.0639 9.3009 9.3022 9.3429 9.3441 9.8667 9.8675 9.9270 9.9279 10.3526 10.3535 k = 0.0897 0.1554 0.3050 ( 7904 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4416 -39.4412 -39.4395 -39.4390 -38.2555 -38.2550 -38.2534 -38.2529 -38.2319 -38.2318 -38.2298 -38.2297 -3.5272 -3.5269 -3.5257 -3.5254 4.2315 4.2315 4.2566 4.2568 5.2325 5.2331 5.3024 5.3028 5.5907 5.5914 5.6385 5.6392 8.0230 8.0242 8.0356 8.0367 8.0494 8.0506 8.0657 8.0670 9.3150 9.3163 9.3519 9.3532 9.9500 9.9509 10.0080 10.0088 10.4162 10.4171 k = 0.0833 0.1443 0.3050 ( 7900 PWs) bands (ev): -69.6240 -69.6240 -69.6232 -69.6232 -39.4416 -39.4411 -39.4394 -39.4390 -38.2555 -38.2550 -38.2533 -38.2528 -38.2318 -38.2317 -38.2297 -38.2296 -3.5466 -3.5462 -3.5452 -3.5448 4.2496 4.2496 4.2729 4.2731 5.2467 5.2473 5.3073 5.3078 5.5949 5.5957 5.6350 5.6357 8.0289 8.0302 8.0394 8.0406 8.0540 8.0552 8.0678 8.0692 9.3253 9.3266 9.3576 9.3589 10.0328 10.0337 10.0876 10.0884 10.4786 10.4795 k = 0.0769 0.1332 0.3050 ( 7888 PWs) bands (ev): -69.6233 -69.6233 -69.6224 -69.6224 -39.4415 -39.4411 -39.4393 -39.4389 -38.2554 -38.2550 -38.2533 -38.2528 -38.2317 -38.2316 -38.2296 -38.2295 -3.5647 -3.5644 -3.5634 -3.5631 4.2655 4.2656 4.2871 4.2873 5.2613 5.2619 5.3134 5.3140 5.5996 5.6004 5.6328 5.6336 8.0368 8.0382 8.0452 8.0465 8.0599 8.0612 8.0715 8.0729 9.3347 9.3360 9.3629 9.3642 10.1184 10.1193 10.1695 10.1704 10.5398 10.5407 k = 0.0705 0.1221 0.3050 ( 7880 PWs) bands (ev): -69.6229 -69.6229 -69.6220 -69.6220 -39.4414 -39.4410 -39.4393 -39.4389 -38.2554 -38.2550 -38.2532 -38.2528 -38.2316 -38.2315 -38.2295 -38.2295 -3.5817 -3.5813 -3.5805 -3.5802 4.2792 4.2794 4.2992 4.2994 5.2757 5.2763 5.3202 5.3208 5.6050 5.6058 5.6315 5.6322 8.0402 8.0415 8.0480 8.0492 8.0643 8.0656 8.0745 8.0758 9.3425 9.3439 9.3671 9.3684 10.2040 10.2049 10.2521 10.2530 10.5997 10.6006 k = 0.0641 0.1110 0.3050 ( 7876 PWs) bands (ev): -69.6227 -69.6227 -69.6218 -69.6218 -39.4414 -39.4410 -39.4392 -39.4389 -38.2554 -38.2550 -38.2532 -38.2528 -38.2315 -38.2315 -38.2294 -38.2294 -3.5973 -3.5970 -3.5962 -3.5959 4.2907 4.2909 4.3090 4.3093 5.2890 5.2897 5.3269 5.3275 5.6103 5.6111 5.6310 5.6318 8.0448 8.0461 8.0510 8.0522 8.0677 8.0690 8.0759 8.0773 9.3490 9.3503 9.3702 9.3716 10.2878 10.2887 10.3314 10.3323 10.6572 10.6580 k = 0.0577 0.0999 0.3050 ( 7868 PWs) bands (ev): -69.6222 -69.6222 -69.6213 -69.6213 -39.4413 -39.4410 -39.4392 -39.4388 -38.2553 -38.2550 -38.2531 -38.2528 -38.2314 -38.2314 -38.2293 -38.2293 -3.6116 -3.6113 -3.6106 -3.6103 4.3006 4.3007 4.3171 4.3174 5.3016 5.3023 5.3336 5.3342 5.6162 5.6170 5.6318 5.6326 8.0494 8.0508 8.0546 8.0560 8.0716 8.0730 8.0788 8.0802 9.3549 9.3563 9.3732 9.3746 10.3705 10.3714 10.4083 10.4092 10.7139 10.7147 k = 0.0513 0.0888 0.3050 ( 7868 PWs) bands (ev): -69.6222 -69.6222 -69.6214 -69.6214 -39.4413 -39.4410 -39.4391 -39.4388 -38.2553 -38.2550 -38.2531 -38.2528 -38.2313 -38.2313 -38.2293 -38.2292 -3.6245 -3.6242 -3.6236 -3.6233 4.3084 4.3086 4.3233 4.3236 5.3129 5.3137 5.3399 5.3406 5.6217 5.6226 5.6331 5.6339 8.0526 8.0539 8.0564 8.0578 8.0736 8.0750 8.0789 8.0803 9.3583 9.3597 9.3740 9.3754 10.4495 10.4503 10.4819 10.4828 10.7671 10.7680 k = 0.0449 0.0777 0.3050 ( 7868 PWs) bands (ev): -69.6223 -69.6223 -69.6214 -69.6214 -39.4412 -39.4410 -39.4391 -39.4388 -38.2553 -38.2550 -38.2531 -38.2528 -38.2313 -38.2313 -38.2292 -38.2292 -3.6360 -3.6356 -3.6352 -3.6349 4.3150 4.3152 4.3282 4.3284 5.3228 5.3235 5.3454 5.3461 5.6268 5.6277 5.6347 5.6355 8.0560 8.0575 8.0588 8.0602 8.0762 8.0776 8.0801 8.0815 9.3613 9.3627 9.3746 9.3760 10.5235 10.5244 10.5498 10.5506 10.8181 10.8189 k = 0.0385 0.0666 0.3050 ( 7870 PWs) bands (ev): -69.6224 -69.6224 -69.6215 -69.6215 -39.4412 -39.4410 -39.4390 -39.4388 -38.2552 -38.2550 -38.2530 -38.2528 -38.2312 -38.2312 -38.2292 -38.2291 -3.6459 -3.6456 -3.6453 -3.6450 4.3203 4.3205 4.3316 4.3319 5.3310 5.3318 5.3498 5.3505 5.6313 5.6321 5.6366 5.6375 8.0595 8.0609 8.0621 8.0634 8.0786 8.0800 8.0817 8.0831 9.3628 9.3642 9.3738 9.3752 10.5903 10.5911 10.6093 10.6102 10.8674 10.8682 k = 0.0321 0.0555 0.3050 ( 7866 PWs) bands (ev): -69.6222 -69.6222 -69.6213 -69.6213 -39.4411 -39.4410 -39.4390 -39.4388 -38.2552 -38.2550 -38.2530 -38.2528 -38.2312 -38.2312 -38.2291 -38.2291 -3.6544 -3.6541 -3.6539 -3.6536 4.3247 4.3249 4.3343 4.3346 5.3390 5.3398 5.3543 5.3551 5.6365 5.6373 5.6397 5.6405 8.0614 8.0627 8.0634 8.0647 8.0803 8.0816 8.0824 8.0837 9.3657 9.3671 9.3747 9.3761 10.6510 10.6518 10.6640 10.6648 10.9146 10.9154 k = 0.0256 0.0444 0.3050 ( 7858 PWs) bands (ev): -69.6217 -69.6217 -69.6209 -69.6209 -39.4411 -39.4409 -39.4389 -39.4388 -38.2552 -38.2550 -38.2530 -38.2528 -38.2311 -38.2311 -38.2290 -38.2290 -3.6614 -3.6611 -3.6610 -3.6606 4.3285 4.3287 4.3362 4.3365 5.3459 5.3466 5.3580 5.3587 5.6412 5.6421 5.6430 5.6438 8.0638 8.0650 8.0656 8.0668 8.0824 8.0835 8.0841 8.0852 9.3691 9.3705 9.3761 9.3775 10.7015 10.7024 10.7090 10.7099 10.9591 10.9599 k = 0.0192 0.0333 0.3050 ( 7854 PWs) bands (ev): -69.6215 -69.6215 -69.6206 -69.6206 -39.4411 -39.4409 -39.4389 -39.4388 -38.2551 -38.2550 -38.2530 -38.2528 -38.2311 -38.2311 -38.2290 -38.2290 -3.6668 -3.6665 -3.6665 -3.6662 4.3315 4.3317 4.3373 4.3376 5.3513 5.3521 5.3603 5.3611 5.6447 5.6455 5.6458 5.6466 8.0655 8.0664 8.0673 8.0682 8.0839 8.0845 8.0856 8.0863 9.3714 9.3728 9.3766 9.3780 10.7402 10.7411 10.7439 10.7449 10.9970 10.9978 k = 0.0128 0.0222 0.3050 ( 7842 PWs) bands (ev): -69.6208 -69.6208 -69.6199 -69.6199 -39.4410 -39.4409 -39.4389 -39.4388 -38.2551 -38.2550 -38.2529 -38.2528 -38.2310 -38.2310 -38.2290 -38.2290 -3.6707 -3.6705 -3.6704 -3.6702 4.3340 4.3342 4.3379 4.3382 5.3563 5.3571 5.3623 5.3631 5.6484 5.6487 5.6493 5.6496 8.0677 8.0684 8.0693 8.0700 8.0859 8.0862 8.0875 8.0878 9.3747 9.3761 9.3782 9.3796 10.7687 10.7697 10.7705 10.7715 11.0282 11.0290 k = 0.0064 0.0111 0.3050 ( 7838 PWs) bands (ev): -69.6206 -69.6206 -69.6197 -69.6197 -39.4410 -39.4410 -39.4388 -39.4388 -38.2551 -38.2550 -38.2529 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.6730 -3.6729 -3.6727 -3.6726 4.3358 4.3361 4.3378 4.3381 5.3596 5.3604 5.3627 5.3634 5.6502 5.6503 5.6511 5.6513 8.0686 8.0691 8.0703 8.0707 8.0866 8.0869 8.0882 8.0885 9.3766 9.3780 9.3783 9.3797 10.7848 10.7855 10.7860 10.7867 11.0474 11.0475 k = 0.0000 0.0000 0.3050 ( 7824 PWs) bands (ev): -69.6197 -69.6197 -69.6189 -69.6189 -39.4410 -39.4410 -39.4388 -39.4388 -38.2550 -38.2550 -38.2528 -38.2528 -38.2310 -38.2310 -38.2289 -38.2289 -3.6737 -3.6737 -3.6734 -3.6734 4.3372 4.3372 4.3375 4.3375 5.3627 5.3627 5.3635 5.3635 5.6521 5.6521 5.6530 5.6530 8.0713 8.0713 8.0728 8.0728 8.0891 8.0891 8.0906 8.0906 9.3786 9.3786 9.3800 9.3800 10.7928 10.7928 10.7938 10.7938 11.0562 11.0562 k = 0.5000 0.2887 0.3050 ( 7884 PWs) bands (ev): -69.6225 -69.6225 -69.6216 -69.6216 -39.4426 -39.4426 -39.4405 -39.4405 -38.2559 -38.2559 -38.2538 -38.2538 -38.2342 -38.2342 -38.2321 -38.2321 -2.9044 -2.9044 -2.9041 -2.9041 3.2367 3.2367 3.2370 3.2370 5.3994 5.3994 5.3996 5.3996 5.7704 5.7704 5.7708 5.7708 7.9817 7.9817 7.9829 7.9829 8.1739 8.1739 8.1752 8.1752 8.2050 8.2050 8.2063 8.2063 9.2601 9.2601 9.2610 9.2610 9.3770 9.3770 k = 0.5000 0.2887 0.2922 ( 7892 PWs) bands (ev): -69.6230 -69.6230 -69.6221 -69.6221 -39.4426 -39.4426 -39.4405 -39.4405 -38.2560 -38.2559 -38.2538 -38.2538 -38.2342 -38.2342 -38.2321 -38.2321 -2.9164 -2.9164 -2.8922 -2.8922 3.2227 3.2227 3.2535 3.2536 5.3799 5.3800 5.4156 5.4157 5.7600 5.7604 5.7798 5.7802 7.9702 7.9705 7.9898 7.9901 8.1685 8.1691 8.1770 8.1775 8.1997 8.1997 8.2115 8.2116 9.2198 9.2200 9.2865 9.2871 9.3366 9.3371 k = 0.5000 0.2887 0.2795 ( 7896 PWs) bands (ev): -69.6233 -69.6233 -69.6223 -69.6223 -39.4426 -39.4426 -39.4405 -39.4405 -38.2560 -38.2560 -38.2538 -38.2538 -38.2342 -38.2342 -38.2321 -38.2321 -2.9286 -2.9286 -2.8802 -2.8802 3.2113 3.2113 3.2728 3.2729 5.3582 5.3583 5.4303 5.4304 5.7500 5.7504 5.7898 5.7901 7.9547 7.9550 7.9952 7.9955 8.1627 8.1633 8.1763 8.1768 8.1982 8.1982 8.2190 8.2191 9.1768 9.1769 9.2574 9.2577 9.3537 9.3539 k = 0.5000 0.2887 0.2668 ( 7896 PWs) bands (ev): -69.6233 -69.6233 -69.6224 -69.6224 -39.4426 -39.4426 -39.4405 -39.4405 -38.2560 -38.2560 -38.2538 -38.2538 -38.2342 -38.2342 -38.2322 -38.2321 -2.9408 -2.9408 -2.8685 -2.8685 3.2024 3.2025 3.2946 3.2946 5.3347 5.3348 5.4433 5.4435 5.7410 5.7414 5.7999 5.8002 7.9386 7.9388 7.9977 7.9979 8.1565 8.1570 8.1737 8.1740 8.1997 8.1998 8.2233 8.2235 9.1356 9.1357 9.2101 9.2103 9.3921 9.3922 k = 0.5000 0.2887 0.2541 ( 7912 PWs) bands (ev): -69.6247 -69.6247 -69.6229 -69.6229 -39.4427 -39.4427 -39.4405 -39.4405 -38.2560 -38.2560 -38.2538 -38.2538 -38.2343 -38.2342 -38.2322 -38.2322 -2.9529 -2.9529 -2.8571 -2.8571 3.1963 3.1964 3.3185 3.3186 5.3079 5.3079 5.4538 5.4540 5.7316 5.7320 5.8088 5.8091 7.9144 7.9146 7.9950 7.9952 8.1496 8.1501 8.1688 8.1690 8.2011 8.2012 8.2273 8.2275 9.0906 9.0907 9.1585 9.1586 9.4310 9.4311 k = 0.5000 0.2887 0.2414 ( 7904 PWs) bands (ev): -69.6244 -69.6244 -69.6222 -69.6222 -39.4427 -39.4427 -39.4405 -39.4405 -38.2560 -38.2560 -38.2537 -38.2537 -38.2343 -38.2342 -38.2322 -38.2322 -2.9649 -2.9649 -2.8459 -2.8459 3.1931 3.1932 3.3449 3.3449 5.2798 5.2798 5.4632 5.4634 5.7240 5.7245 5.8179 5.8182 7.8928 7.8930 7.9946 7.9948 8.1463 8.1468 8.1682 8.1683 8.2069 8.2071 8.2337 8.2340 9.0499 9.0500 9.1122 9.1123 9.4721 9.4722 k = 0.5000 0.2887 0.2287 ( 7906 PWs) bands (ev): -69.6251 -69.6251 -69.6218 -69.6218 -39.4427 -39.4427 -39.4405 -39.4405 -38.2560 -38.2560 -38.2537 -38.2537 -38.2343 -38.2342 -38.2322 -38.2322 -2.9766 -2.9766 -2.8350 -2.8350 3.1925 3.1925 3.3731 3.3732 5.2488 5.2489 5.4704 5.4706 5.7167 5.7171 5.8252 5.8255 7.8678 7.8679 7.9915 7.9916 8.1419 8.1423 8.1669 8.1669 8.2121 8.2123 8.2384 8.2387 9.0066 9.0067 9.0662 9.0663 9.5104 9.5104 k = 0.5000 0.2887 0.2160 ( 7902 PWs) bands (ev): -69.6253 -69.6253 -69.6212 -69.6212 -39.4427 -39.4427 -39.4405 -39.4405 -38.2560 -38.2560 -38.2537 -38.2537 -38.2343 -38.2342 -38.2322 -38.2321 -2.9881 -2.9881 -2.8245 -2.8245 3.1945 3.1946 3.4032 3.4033 5.2168 5.2168 5.4762 5.4764 5.7102 5.7106 5.8316 5.8318 7.8427 7.8428 7.9878 7.9879 8.1382 8.1386 8.1680 8.1682 8.2176 8.2177 8.2405 8.2408 8.9673 8.9674 9.0241 9.0242 9.5482 9.5482 k = 0.5000 0.2887 0.2033 ( 7906 PWs) bands (ev): -69.6252 -69.6252 -69.6218 -69.6218 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2560 -38.2537 -38.2537 -38.2343 -38.2342 -38.2322 -38.2321 -2.9993 -2.9993 -2.8145 -2.8145 3.1991 3.1991 3.4348 3.4349 5.1830 5.1830 5.4800 5.4802 5.7041 5.7046 5.8358 5.8360 7.8157 7.8158 7.9820 7.9820 8.1342 8.1346 8.1683 8.1686 8.2227 8.2231 8.2368 8.2371 8.9298 8.9299 8.9832 8.9833 9.5825 9.5826 k = 0.5000 0.2887 0.1906 ( 7906 PWs) bands (ev): -69.6253 -69.6253 -69.6217 -69.6217 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2537 -38.2537 -38.2343 -38.2342 -38.2322 -38.2321 -3.0101 -3.0101 -2.8049 -2.8049 3.2059 3.2060 3.4678 3.4678 5.1480 5.1481 5.4828 5.4831 5.6990 5.6995 5.8392 5.8394 7.7885 7.7886 7.9726 7.9726 8.1297 8.1300 8.1683 8.1687 8.2260 8.2266 8.2362 8.2363 8.8968 8.8968 8.9468 8.9468 9.6157 9.6157 k = 0.5000 0.2887 0.1779 ( 7902 PWs) bands (ev): -69.6252 -69.6252 -69.6214 -69.6214 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2537 -38.2536 -38.2343 -38.2342 -38.2322 -38.2321 -3.0204 -3.0204 -2.7958 -2.7958 3.2150 3.2150 3.5018 3.5018 5.1122 5.1123 5.4846 5.4848 5.6945 5.6949 5.8414 5.8416 7.7622 7.7622 7.9635 7.9636 8.1252 8.1255 8.1703 8.1708 8.2246 8.2254 8.2390 8.2391 8.8681 8.8681 8.9123 8.9124 9.6462 9.6462 k = 0.5000 0.2887 0.1652 ( 7904 PWs) bands (ev): -69.6251 -69.6251 -69.6217 -69.6217 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2537 -38.2536 -38.2343 -38.2342 -38.2322 -38.2321 -3.0304 -3.0304 -2.7872 -2.7872 3.2260 3.2261 3.5363 3.5364 5.0756 5.0757 5.4845 5.4847 5.6903 5.6907 5.8414 5.8416 7.7354 7.7354 7.9521 7.9521 8.1203 8.1206 8.1711 8.1717 8.2189 8.2198 8.2445 8.2445 8.8419 8.8419 8.8797 8.8798 9.6717 9.6717 k = 0.5000 0.2887 0.1525 ( 7908 PWs) bands (ev): -69.6255 -69.6255 -69.6218 -69.6218 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2536 -38.2536 -38.2343 -38.2342 -38.2322 -38.2321 -3.0398 -3.0398 -2.7792 -2.7792 3.2388 3.2388 3.5711 3.5712 5.0386 5.0386 5.4832 5.4834 5.6864 5.6869 5.8402 5.8404 7.7078 7.7078 7.9389 7.9390 8.1156 8.1158 8.1717 8.1724 8.2129 8.2138 8.2508 8.2508 8.8180 8.8180 8.8493 8.8493 9.6922 9.6922 k = 0.5000 0.2887 0.1398 ( 7894 PWs) bands (ev): -69.6244 -69.6244 -69.6212 -69.6212 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2536 -38.2536 -38.2342 -38.2342 -38.2321 -38.2321 -3.0486 -3.0486 -2.7717 -2.7717 3.2533 3.2533 3.6062 3.6063 5.0021 5.0022 5.4814 5.4816 5.6834 5.6838 5.8387 5.8389 7.6862 7.6862 7.9267 7.9268 8.1141 8.1143 8.1736 8.1745 8.2093 8.2103 8.2603 8.2603 8.7988 8.7988 8.8239 8.8240 9.7120 9.7120 k = 0.5000 0.2887 0.1271 ( 7898 PWs) bands (ev): -69.6244 -69.6244 -69.6216 -69.6216 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2536 -38.2536 -38.2343 -38.2342 -38.2322 -38.2321 -3.0568 -3.0568 -2.7648 -2.7648 3.2687 3.2687 3.6404 3.6405 4.9662 4.9662 5.4778 5.4780 5.6801 5.6805 5.8355 5.8357 7.6630 7.6630 7.9121 7.9121 8.1093 8.1095 8.1708 8.1716 8.2026 8.2036 8.2660 8.2660 8.7777 8.7777 8.8021 8.8022 9.7243 9.7244 k = 0.5000 0.2887 0.1144 ( 7902 PWs) bands (ev): -69.6245 -69.6245 -69.6221 -69.6221 -39.4427 -39.4427 -39.4404 -39.4404 -38.2561 -38.2561 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0644 -3.0644 -2.7586 -2.7586 3.2849 3.2849 3.6736 3.6737 4.9314 4.9314 5.4731 5.4732 5.6767 5.6771 5.8315 5.8317 7.6418 7.6418 7.8980 7.8980 8.1026 8.1028 8.1684 8.1692 8.1996 8.2006 8.2702 8.2703 8.7531 8.7531 8.7873 8.7873 9.7331 9.7331 k = 0.5000 0.2887 0.1017 ( 7920 PWs) bands (ev): -69.6257 -69.6257 -69.6231 -69.6231 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0713 -3.0713 -2.7530 -2.7530 3.3012 3.3012 3.7048 3.7049 4.8980 4.8981 5.4669 5.4670 5.6735 5.6739 5.8263 5.8264 7.6186 7.6186 7.8813 7.8813 8.0954 8.0955 8.1634 8.1640 8.1967 8.1975 8.2732 8.2732 8.7290 8.7290 8.7741 8.7741 9.7344 9.7344 k = 0.5000 0.2887 0.0889 ( 7920 PWs) bands (ev): -69.6257 -69.6257 -69.6231 -69.6231 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2536 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.0774 -3.0774 -2.7480 -2.7480 3.3176 3.3176 3.7344 3.7345 4.8669 4.8670 5.4611 5.4612 5.6707 5.6711 5.8224 5.8225 7.6026 7.6026 7.8667 7.8668 8.0920 8.0921 8.1602 8.1607 8.1977 8.1983 8.2778 8.2779 8.7053 8.7053 8.7653 8.7653 9.7390 9.7390 k = 0.5000 0.2887 0.0762 ( 7920 PWs) bands (ev): -69.6257 -69.6257 -69.6231 -69.6231 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2535 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.0828 -3.0828 -2.7436 -2.7436 3.3334 3.3334 3.7614 3.7614 4.8387 4.8387 5.4545 5.4546 5.6686 5.6689 5.8181 5.8183 7.5876 7.5876 7.8530 7.8530 8.0887 8.0889 8.1571 8.1574 8.1984 8.1988 8.2842 8.2842 8.6862 8.6862 8.7590 8.7590 9.7410 9.7410 k = 0.5000 0.2887 0.0635 ( 7930 PWs) bands (ev): -69.6258 -69.6258 -69.6242 -69.6242 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0875 -3.0875 -2.7399 -2.7399 3.3480 3.3480 3.7850 3.7851 4.8134 4.8135 5.4476 5.4477 5.6666 5.6669 5.8138 5.8139 7.5736 7.5736 7.8375 7.8376 8.0856 8.0857 8.1538 8.1541 8.1962 8.1966 8.2896 8.2896 8.6688 8.6688 8.7493 8.7493 9.7411 9.7411 k = 0.5000 0.2887 0.0508 ( 7928 PWs) bands (ev): -69.6253 -69.6253 -69.6244 -69.6244 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0913 -3.0913 -2.7369 -2.7369 3.3610 3.3611 3.8053 3.8054 4.7922 4.7922 5.4413 5.4414 5.6652 5.6654 5.8103 5.8104 7.5645 7.5645 7.8261 7.8261 8.0834 8.0835 8.1519 8.1522 8.1971 8.1974 8.2961 8.2961 8.6553 8.6553 8.7436 8.7436 9.7440 9.7440 k = 0.5000 0.2887 0.0381 ( 7928 PWs) bands (ev): -69.6254 -69.6254 -69.6243 -69.6243 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2536 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.0942 -3.0942 -2.7345 -2.7345 3.3717 3.3717 3.8215 3.8215 4.7751 4.7751 5.4363 5.4363 5.6639 5.6640 5.8081 5.8082 7.5567 7.5567 7.8167 7.8168 8.0819 8.0819 8.1500 8.1501 8.1990 8.1992 8.2992 8.2992 8.6430 8.6430 8.7401 8.7401 9.7441 9.7441 k = 0.5000 0.2887 0.0254 ( 7928 PWs) bands (ev): -69.6256 -69.6256 -69.6241 -69.6241 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2535 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.0964 -3.0964 -2.7329 -2.7329 3.3797 3.3798 3.8333 3.8333 4.7626 4.7627 5.4322 5.4322 5.6629 5.6630 5.8065 5.8066 7.5513 7.5513 7.8115 7.8115 8.0795 8.0795 8.1476 8.1477 8.2005 8.2006 8.3007 8.3008 8.6343 8.6343 8.7390 8.7390 9.7440 9.7440 k = 0.5000 0.2887 0.0127 ( 7924 PWs) bands (ev): -69.6257 -69.6257 -69.6235 -69.6235 -39.4428 -39.4428 -39.4404 -39.4404 -38.2562 -38.2562 -38.2535 -38.2535 -38.2343 -38.2343 -38.2322 -38.2322 -3.0976 -3.0976 -2.7318 -2.7318 3.3848 3.3848 3.8404 3.8405 4.7551 4.7551 5.4296 5.4296 5.6627 5.6627 5.8059 5.8060 7.5468 7.5468 7.8090 7.8090 8.0792 8.0792 8.1464 8.1465 8.2015 8.2015 8.3028 8.3028 8.6302 8.6302 8.7400 8.7400 9.7439 9.7439 k = 0.5000 0.2887-0.0000 ( 7934 PWs) bands (ev): -69.6263 -69.6263 -69.6242 -69.6242 -39.4428 -39.4428 -39.4404 -39.4404 -38.2563 -38.2563 -38.2536 -38.2536 -38.2343 -38.2343 -38.2322 -38.2322 -3.0980 -3.0980 -2.7315 -2.7315 3.3864 3.3864 3.8426 3.8426 4.7525 4.7525 5.4282 5.4282 5.6624 5.6624 5.8047 5.8047 7.5434 7.5434 7.8065 7.8065 8.0768 8.0768 8.1449 8.1449 8.2002 8.2002 8.3021 8.3021 8.6276 8.6276 8.7382 8.7382 9.7416 9.7416 k = 0.3333 0.5774-0.0000 ( 7917 PWs) bands (ev): -69.6246 -69.6246 -69.6237 -69.6237 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2539 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8273 -2.8198 -2.8161 -2.8157 4.0615 4.0617 4.0923 4.1012 4.5384 4.5388 4.7979 4.7982 5.2377 5.2774 5.2797 5.2799 7.6295 7.6299 7.6985 7.7644 7.7650 7.7840 7.8079 7.8083 8.3723 8.3723 8.6789 8.6790 8.8427 8.8442 8.8882 8.9157 9.1708 9.1874 k = 0.3333 0.5774 0.0127 ( 7920 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2534 -38.2357 -38.2338 -38.2337 -38.2317 -2.8272 -2.8197 -2.8160 -2.8157 4.0615 4.0618 4.0886 4.0975 4.5318 4.5322 4.7988 4.7990 5.2417 5.2813 5.2854 5.2855 7.6296 7.6300 7.6983 7.7641 7.7647 7.7837 7.8077 7.8080 8.3725 8.3725 8.6785 8.6785 8.8415 8.8431 8.8865 8.9140 9.1719 9.1883 k = 0.3333 0.5774 0.0254 ( 7920 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2535 -38.2357 -38.2338 -38.2337 -38.2317 -2.8270 -2.8195 -2.8157 -2.8154 4.0617 4.0620 4.0778 4.0867 4.5136 4.5139 4.8010 4.8013 5.2536 5.2929 5.3021 5.3023 7.6301 7.6306 7.7008 7.7659 7.7666 7.7856 7.8080 7.8084 8.3743 8.3743 8.6781 8.6781 8.8388 8.8403 8.8823 8.9099 9.1769 9.1931 k = 0.3333 0.5774 0.0381 ( 7926 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2535 -38.2357 -38.2338 -38.2337 -38.2317 -2.8265 -2.8191 -2.8153 -2.8150 4.0604 4.0618 4.0621 4.0695 4.4862 4.4866 4.8023 4.8026 5.2728 5.3114 5.3284 5.3285 7.6303 7.6308 7.7062 7.7705 7.7711 7.7906 7.8070 7.8073 8.3755 8.3755 8.6740 8.6740 8.8329 8.8344 8.8743 8.9021 9.1840 9.2000 k = 0.3333 0.5774 0.0508 ( 7926 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2535 -38.2357 -38.2338 -38.2337 -38.2317 -2.8259 -2.8186 -2.8148 -2.8145 4.0375 4.0469 4.0617 4.0619 4.4531 4.4534 4.8027 4.8030 5.2985 5.3361 5.3627 5.3628 7.6301 7.6306 7.7171 7.7795 7.7801 7.8010 7.8060 7.8064 8.3767 8.3767 8.6704 8.6704 8.8250 8.8265 8.8642 8.8920 9.1952 9.2115 k = 0.3333 0.5774 0.0635 ( 7905 PWs) bands (ev): -69.6238 -69.6238 -69.6229 -69.6229 -39.4436 -39.4422 -39.4411 -39.4401 -38.2566 -38.2556 -38.2540 -38.2534 -38.2357 -38.2337 -38.2336 -38.2317 -2.8251 -2.8179 -2.8141 -2.8137 4.0102 4.0198 4.0612 4.0614 4.4169 4.4172 4.8018 4.8021 5.3298 5.3662 5.4035 5.4035 7.6343 7.6348 7.7314 7.7902 7.7908 7.8104 7.8107 7.8141 8.3870 8.3870 8.6686 8.6686 8.8194 8.8209 8.8558 8.8837 9.2126 9.2285 k = 0.3333 0.5774 0.0762 ( 7926 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4437 -39.4422 -39.4411 -39.4401 -38.2566 -38.2557 -38.2540 -38.2535 -38.2357 -38.2337 -38.2336 -38.2317 -2.8242 -2.8172 -2.8133 -2.8129 3.9789 3.9885 4.0591 4.0593 4.3794 4.3797 4.7976 4.7979 5.3640 5.3995 5.4474 5.4475 7.6336 7.6341 7.7407 7.7930 7.7936 7.8126 7.8129 7.8223 8.3849 8.3849 8.6609 8.6609 8.8064 8.8079 8.8395 8.8678 9.2241 9.2395 k = 0.3333 0.5774 0.0889 ( 7926 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4437 -39.4422 -39.4412 -39.4401 -38.2566 -38.2557 -38.2540 -38.2535 -38.2357 -38.2337 -38.2336 -38.2317 -2.8231 -2.8163 -2.8123 -2.8120 3.9455 3.9551 4.0552 4.0554 4.3438 4.3440 4.7924 4.7927 5.4018 5.4359 5.4945 5.4945 7.6351 7.6356 7.7577 7.7939 7.7945 7.8244 7.8246 7.8381 8.3883 8.3883 8.6557 8.6557 8.7944 8.7958 8.8246 8.8531 9.2409 9.2560 k = 0.3333 0.5774 0.1017 ( 7914 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4436 -39.4422 -39.4412 -39.4401 -38.2566 -38.2556 -38.2540 -38.2535 -38.2357 -38.2337 -38.2336 -38.2316 -2.8219 -2.8153 -2.8113 -2.8109 3.9106 3.9202 4.0483 4.0485 4.3118 4.3120 4.7860 4.7863 5.4418 5.4744 5.5432 5.5433 7.6396 7.6401 7.7790 7.7923 7.7929 7.8430 7.8432 7.8577 8.3945 8.3945 8.6524 8.6524 8.7826 8.7840 8.8101 8.8388 9.2615 9.2765 k = 0.3333 0.5774 0.1144 ( 7899 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4436 -39.4422 -39.4411 -39.4401 -38.2565 -38.2556 -38.2540 -38.2534 -38.2357 -38.2337 -38.2336 -38.2316 -2.8206 -2.8143 -2.8101 -2.8098 3.8749 3.8844 4.0374 4.0375 4.2851 4.2852 4.7776 4.7779 5.4833 5.5142 5.5926 5.5927 7.6440 7.6445 7.7911 7.7917 7.8041 7.8663 7.8665 7.8810 8.4021 8.4021 8.6466 8.6466 8.7700 8.7714 8.7948 8.8239 9.2839 9.2982 k = 0.3333 0.5774 0.1271 ( 7905 PWs) bands (ev): -69.6238 -69.6237 -69.6229 -69.6229 -39.4436 -39.4422 -39.4412 -39.4401 -38.2565 -38.2556 -38.2540 -38.2535 -38.2357 -38.2337 -38.2336 -38.2316 -2.8192 -2.8132 -2.8089 -2.8086 3.8390 3.8483 4.0215 4.0216 4.2649 4.2650 4.7677 4.7680 5.5235 5.5528 5.6400 5.6401 7.6460 7.6466 7.7871 7.7877 7.8260 7.8867 7.8868 7.9008 8.4069 8.4069 8.6394 8.6394 8.7542 8.7555 8.7762 8.8056 9.3023 9.3159 k = 0.3333 0.5774 0.1398 ( 7899 PWs) bands (ev): -69.6234 -69.6234 -69.6225 -69.6225 -39.4436 -39.4422 -39.4412 -39.4401 -38.2565 -38.2556 -38.2540 -38.2534 -38.2357 -38.2337 -38.2336 -38.2316 -2.8178 -2.8121 -2.8077 -2.8074 3.8038 3.8128 4.0009 4.0010 4.2518 4.2518 4.7571 4.7574 5.5640 5.5914 5.6868 5.6870 7.6462 7.6468 7.7834 7.7840 7.8547 7.9139 7.9140 7.9273 8.4141 8.4141 8.6331 8.6331 8.7378 8.7390 8.7578 8.7873 9.3239 9.3371 k = 0.3333 0.5774 0.1525 ( 7914 PWs) bands (ev): -69.6243 -69.6243 -69.6234 -69.6234 -39.4436 -39.4422 -39.4412 -39.4401 -38.2565 -38.2557 -38.2541 -38.2535 -38.2357 -38.2337 -38.2336 -38.2316 -2.8164 -2.8110 -2.8065 -2.8062 3.7695 3.7780 3.9765 3.9765 4.2447 4.2447 4.7451 4.7453 5.6023 5.6279 5.7306 5.7308 7.6479 7.6485 7.7774 7.7780 7.8790 7.9369 7.9370 7.9490 8.4147 8.4147 8.6239 8.6240 8.7194 8.7206 8.7369 8.7667 9.3416 9.3531 k = 0.3333 0.5774 0.1652 ( 7920 PWs) bands (ev): -69.6247 -69.6247 -69.6238 -69.6238 -39.4436 -39.4422 -39.4412 -39.4401 -38.2565 -38.2557 -38.2541 -38.2535 -38.2357 -38.2337 -38.2336 -38.2317 -2.8149 -2.8099 -2.8052 -2.8049 3.7367 3.7449 3.9500 3.9500 4.2426 4.2427 4.7324 4.7327 5.6392 5.6630 5.7724 5.7726 7.6489 7.6495 7.7723 7.7730 7.9081 7.9648 7.9650 7.9756 8.4186 8.4187 8.6148 8.6148 8.7013 8.7025 8.7167 8.7468 9.3607 9.3709 k = 0.3333 0.5774 0.1779 ( 7932 PWs) bands (ev): -69.6254 -69.6254 -69.6245 -69.6245 -39.4436 -39.4423 -39.4413 -39.4401 -38.2565 -38.2557 -38.2541 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8135 -2.8088 -2.8040 -2.8037 3.7059 3.7135 3.9227 3.9227 4.2441 4.2443 4.7191 4.7194 5.6739 5.6958 5.8112 5.8114 7.6507 7.6514 7.7644 7.7651 7.9369 7.9927 7.9929 8.0017 8.4218 8.4219 8.6038 8.6038 8.6821 8.6832 8.6955 8.7257 9.3790 9.3880 k = 0.3333 0.5774 0.1906 ( 7932 PWs) bands (ev): -69.6254 -69.6254 -69.6245 -69.6245 -39.4436 -39.4423 -39.4413 -39.4401 -38.2565 -38.2557 -38.2542 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8120 -2.8078 -2.8028 -2.8025 3.6773 3.6843 3.8959 3.8960 4.2483 4.2485 4.7059 4.7062 5.7064 5.7262 5.8470 5.8473 7.6539 7.6547 7.7594 7.7601 7.9684 8.0231 8.0235 8.0302 8.4288 8.4288 8.5942 8.5942 8.6646 8.6657 8.6759 8.7061 9.3984 9.4063 k = 0.3333 0.5774 0.2033 ( 7923 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2541 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8106 -2.8068 -2.8017 -2.8014 3.6511 3.6575 3.8706 3.8707 4.2543 4.2545 4.6930 4.6933 5.7371 5.7547 5.8804 5.8808 7.6573 7.6581 7.7544 7.7552 8.0033 8.0571 8.0576 8.0617 8.4380 8.4381 8.5848 8.5848 8.6468 8.6479 8.6564 8.6864 9.4194 9.4265 k = 0.3333 0.5774 0.2160 ( 7926 PWs) bands (ev): -69.6251 -69.6251 -69.6242 -69.6242 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8094 -2.8060 -2.8007 -2.8003 3.6276 3.6333 3.8472 3.8472 4.2613 4.2615 4.6801 4.6804 5.7633 5.7788 5.9089 5.9092 7.6606 7.6615 7.7490 7.7499 8.0355 8.0884 8.0889 8.0902 8.4457 8.4458 8.5731 8.5732 8.6287 8.6297 8.6361 8.6657 9.4362 9.4425 k = 0.3333 0.5774 0.2287 ( 7923 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8081 -2.8052 -2.7997 -2.7994 3.6070 3.6119 3.8262 3.8263 4.2686 4.2689 4.6680 4.6684 5.7870 5.8003 5.9342 5.9346 7.6647 7.6657 7.7443 7.7453 8.0682 8.1185 8.1202 8.1209 8.4531 8.4532 8.5620 8.5621 8.6112 8.6121 8.6162 8.6449 9.4540 9.4595 k = 0.3333 0.5774 0.2414 ( 7923 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8071 -2.8046 -2.7989 -2.7986 3.5892 3.5934 3.8080 3.8081 4.2758 4.2761 4.6567 4.6571 5.8081 5.8192 5.9564 5.9568 7.6673 7.6684 7.7393 7.7404 8.0994 8.1446 8.1508 8.1516 8.4598 8.4599 8.5475 8.5476 8.5945 8.5952 8.5971 8.6241 9.4705 9.4755 k = 0.3333 0.5774 0.2541 ( 7923 PWs) bands (ev): -69.6249 -69.6249 -69.6240 -69.6240 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2357 -38.2338 -38.2336 -38.2317 -2.8061 -2.8041 -2.7982 -2.7979 3.5748 3.5781 3.7929 3.7930 4.2826 4.2829 4.6472 4.6476 5.8240 5.8329 5.9730 5.9734 7.6701 7.6714 7.7360 7.7372 8.1291 8.1683 8.1793 8.1803 8.4661 8.4663 8.5362 8.5363 8.5792 8.5815 8.5821 8.6038 9.4823 9.4866 k = 0.3333 0.5774 0.2668 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8053 -2.8037 -2.7976 -2.7973 3.5636 3.5661 3.7811 3.7812 4.2887 4.2890 4.6395 4.6399 5.8380 5.8447 5.9873 5.9877 7.6735 7.6749 7.7340 7.7353 8.1599 8.1917 8.2088 8.2100 8.4747 8.4748 8.5248 8.5249 8.5658 8.5735 8.5741 8.5866 9.4947 9.4983 k = 0.3333 0.5774 0.2795 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8046 -2.8035 -2.7972 -2.7969 3.5556 3.5573 3.7725 3.7726 4.2932 4.2935 4.6334 4.6338 5.8479 5.8524 5.9971 5.9975 7.6751 7.6766 7.7316 7.7330 8.1823 8.2050 8.2293 8.2306 8.4799 8.4800 8.5111 8.5112 8.5552 8.5661 8.5667 8.5705 9.5028 9.5055 k = 0.3333 0.5774 0.2922 ( 7911 PWs) bands (ev): -69.6241 -69.6241 -69.6233 -69.6233 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8041 -2.8035 -2.7969 -2.7966 3.5509 3.5518 3.7673 3.7674 4.2959 4.2963 4.6295 4.6299 5.8544 5.8566 6.0029 6.0033 7.6757 7.6772 7.7309 7.7323 8.1965 8.2084 8.2404 8.2418 8.4825 8.4827 8.5004 8.5008 8.5502 8.5584 8.5614 8.5620 9.5082 9.5095 k = 0.3333 0.5774 0.3050 ( 7908 PWs) bands (ev): -69.6240 -69.6240 -69.6231 -69.6231 -39.4435 -39.4422 -39.4413 -39.4401 -38.2564 -38.2557 -38.2542 -38.2535 -38.2356 -38.2337 -38.2336 -38.2317 -2.8039 -2.8036 -2.7968 -2.7965 3.5496 3.5498 3.7656 3.7657 4.2969 4.2972 4.6282 4.6287 5.8576 5.8580 6.0054 6.0059 7.6762 7.6777 7.7302 7.7317 8.2058 8.2072 8.2452 8.2466 8.4854 8.4859 8.4956 8.4963 8.5521 8.5523 8.5603 8.5608 9.5111 9.5113 Writing output data file MnTe.save init_run : 0.66s CPU 0.42s WALL ( 1 calls) electrons : 346.37s CPU 246.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 346.36s CPU 246.51s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.60s CPU 0.69s WALL ( 327 calls) cegterg : 298.10s CPU 216.67s WALL ( 345 calls) Called by sum_band: Called by *egterg: h_psi : 230.73s CPU 151.22s WALL ( 6549 calls) s_psi : 7.92s CPU 5.37s WALL ( 6549 calls) g_psi : 0.53s CPU 0.41s WALL ( 5877 calls) cdiaghg : 61.07s CPU 52.72s WALL ( 6204 calls) cegterg:over : 13.18s CPU 10.44s WALL ( 5877 calls) cegterg:upda : 12.21s CPU 9.82s WALL ( 5877 calls) cegterg:last : 5.30s CPU 4.67s WALL ( 1091 calls) cdiaghg:chol : 3.66s CPU 3.06s WALL ( 6204 calls) cdiaghg:inve : 2.10s CPU 1.94s WALL ( 6204 calls) cdiaghg:para : 3.56s CPU 3.14s WALL ( 12408 calls) Called by h_psi: h_psi:vloc : 206.89s CPU 134.36s WALL ( 6549 calls) h_psi:vnl : 23.30s CPU 16.45s WALL ( 6549 calls) add_vuspsi : 13.19s CPU 8.96s WALL ( 6549 calls) General routines calbec : 10.05s CPU 7.47s WALL ( 6549 calls) fft : 0.03s CPU 0.02s WALL ( 15 calls) fftw : 197.95s CPU 127.68s WALL ( 713020 calls) davcio : 0.26s CPU 1.81s WALL ( 654 calls) Parallel routines fft_scatter : 69.75s CPU 49.83s WALL ( 713035 calls) PWSCF : 6m 9.51s CPU 4m45.33s WALL This run was terminated on: 4:19:42 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=