Program PWSCF v.5.1.1 starts on 18Nov2015 at 6:45:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr6FeTe2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 61 17 1643 1257 197 Max 74 62 18 1645 1271 200 Sum 3505 2941 847 78885 60811 9527 bravais-lattice index = 14 lattice parameter (alat) = 14.6486 a.u. unit-cell volume = 1273.4233 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.648589 celldm(2)= 1.000000 celldm(3)= 0.467794 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.467794 ) 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 2.137692 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Fe 8.00 55.84500 Fe( 1.00) Te 6.00 127.60000 Te( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 5 -6 -2 6 -5 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 -12 -11 11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0036630 k( 3) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0036630 k( 4) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0036630 k( 5) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0036630 k( 6) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0036630 k( 7) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0036630 k( 8) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0036630 k( 9) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0036630 k( 10) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0036630 k( 11) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0036630 k( 12) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0036630 k( 13) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036630 k( 14) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0036630 k( 15) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0036630 k( 16) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0036630 k( 17) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0036630 k( 18) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0036630 k( 19) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0036630 k( 20) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0036630 k( 21) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0036630 k( 22) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0036630 k( 23) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0036630 k( 24) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0036630 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 27) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0036630 k( 28) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0036630 k( 29) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0036630 k( 30) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0036630 k( 31) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0036630 k( 32) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0036630 k( 33) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036630 k( 34) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0036630 k( 35) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0036630 k( 36) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0036630 k( 37) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0036630 k( 38) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0036630 k( 39) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0036630 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 41) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 42) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0036630 k( 43) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0036630 k( 44) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0036630 k( 45) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0036630 k( 46) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0036630 k( 47) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0036630 k( 48) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0036630 k( 49) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0036630 k( 50) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0036630 k( 51) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0036630 k( 52) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0036630 k( 53) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0036630 k( 54) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0036630 k( 55) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036630 k( 56) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0036630 k( 57) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0036630 k( 58) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0036630 k( 59) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0036630 k( 60) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0036630 k( 61) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0036630 k( 62) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0036630 k( 63) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0036630 k( 64) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0036630 k( 65) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0036630 k( 66) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0036630 k( 67) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0036630 k( 68) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0036630 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 71) = ( 0.0000000 0.0000000 0.0242920), wk = 0.0036630 k( 72) = ( 0.0000000 0.0000000 0.0485839), wk = 0.0036630 k( 73) = ( 0.0000000 0.0000000 0.0728759), wk = 0.0036630 k( 74) = ( 0.0000000 0.0000000 0.0971678), wk = 0.0036630 k( 75) = ( 0.0000000 0.0000000 0.1214598), wk = 0.0036630 k( 76) = ( 0.0000000 0.0000000 0.1457518), wk = 0.0036630 k( 77) = ( 0.0000000 0.0000000 0.1700437), wk = 0.0036630 k( 78) = ( 0.0000000 0.0000000 0.1943357), wk = 0.0036630 k( 79) = ( 0.0000000 0.0000000 0.2186276), wk = 0.0036630 k( 80) = ( 0.0000000 0.0000000 0.2429196), wk = 0.0036630 k( 81) = ( 0.0000000 0.0000000 0.2672115), wk = 0.0036630 k( 82) = ( 0.0000000 0.0000000 0.2915035), wk = 0.0036630 k( 83) = ( 0.0000000 0.0000000 0.3157955), wk = 0.0036630 k( 84) = ( 0.0000000 0.0000000 0.3400874), wk = 0.0036630 k( 85) = ( 0.0000000 0.0000000 0.3643794), wk = 0.0036630 k( 86) = ( 0.0000000 0.0000000 0.3886713), wk = 0.0036630 k( 87) = ( 0.0000000 0.0000000 0.4129633), wk = 0.0036630 k( 88) = ( 0.0000000 0.0000000 0.4372552), wk = 0.0036630 k( 89) = ( 0.0000000 0.0000000 0.4615472), wk = 0.0036630 k( 90) = ( 0.0000000 0.0000000 0.4858392), wk = 0.0036630 k( 91) = ( 0.0000000 0.0000000 0.5101311), wk = 0.0036630 k( 92) = ( 0.0000000 0.0000000 0.5344231), wk = 0.0036630 k( 93) = ( 0.0000000 0.0000000 0.5587151), wk = 0.0036630 k( 94) = ( 0.0000000 0.0000000 0.5830070), wk = 0.0036630 k( 95) = ( 0.0000000 0.0000000 0.6072990), wk = 0.0036630 k( 96) = ( 0.0000000 0.0000000 0.6315909), wk = 0.0036630 k( 97) = ( 0.0000000 0.0000000 0.6558829), wk = 0.0036630 k( 98) = ( 0.0000000 0.0000000 0.6801748), wk = 0.0036630 k( 99) = ( 0.0000000 0.0000000 0.7044668), wk = 0.0036630 k( 100) = ( 0.0000000 0.0000000 0.7287588), wk = 0.0036630 k( 101) = ( 0.0000000 0.0000000 0.7530507), wk = 0.0036630 k( 102) = ( 0.0000000 0.0000000 0.7773427), wk = 0.0036630 k( 103) = ( 0.0000000 0.0000000 0.8016346), wk = 0.0036630 k( 104) = ( 0.0000000 0.0000000 0.8259266), wk = 0.0036630 k( 105) = ( 0.0000000 0.0000000 0.8502185), wk = 0.0036630 k( 106) = ( 0.0000000 0.0000000 0.8745105), wk = 0.0036630 k( 107) = ( 0.0000000 0.0000000 0.8988025), wk = 0.0036630 k( 108) = ( 0.0000000 0.0000000 0.9230944), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.9473864), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.9716783), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.9959703), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 1.0202623), wk = 0.0036630 k( 113) = ( 0.0000000 0.0000000 1.0445542), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 1.0688462), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 1.0688462), wk = 0.0036630 k( 116) = ( 0.0208333 0.0120281 1.0688462), wk = 0.0036630 k( 117) = ( 0.0416667 0.0240563 1.0688462), wk = 0.0036630 k( 118) = ( 0.0625000 0.0360844 1.0688462), wk = 0.0036630 k( 119) = ( 0.0833333 0.0481125 1.0688462), wk = 0.0036630 k( 120) = ( 0.1041667 0.0601407 1.0688462), wk = 0.0036630 k( 121) = ( 0.1250000 0.0721688 1.0688462), wk = 0.0036630 k( 122) = ( 0.1458333 0.0841969 1.0688462), wk = 0.0036630 k( 123) = ( 0.1666667 0.0962250 1.0688462), wk = 0.0036630 k( 124) = ( 0.1875000 0.1082532 1.0688462), wk = 0.0036630 k( 125) = ( 0.2083333 0.1202813 1.0688462), wk = 0.0036630 k( 126) = ( 0.2291667 0.1323094 1.0688462), wk = 0.0036630 k( 127) = ( 0.2500000 0.1443376 1.0688462), wk = 0.0036630 k( 128) = ( 0.2708333 0.1563657 1.0688462), wk = 0.0036630 k( 129) = ( 0.2916667 0.1683938 1.0688462), wk = 0.0036630 k( 130) = ( 0.3125000 0.1804220 1.0688462), wk = 0.0036630 k( 131) = ( 0.3333333 0.1924501 1.0688462), wk = 0.0036630 k( 132) = ( 0.3541667 0.2044782 1.0688462), wk = 0.0036630 k( 133) = ( 0.3750000 0.2165064 1.0688462), wk = 0.0036630 k( 134) = ( 0.3958333 0.2285345 1.0688462), wk = 0.0036630 k( 135) = ( 0.4166667 0.2405626 1.0688462), wk = 0.0036630 k( 136) = ( 0.4375000 0.2525907 1.0688462), wk = 0.0036630 k( 137) = ( 0.4583333 0.2646189 1.0688462), wk = 0.0036630 k( 138) = ( 0.4791667 0.2766470 1.0688462), wk = 0.0036630 k( 139) = ( 0.5000000 0.2886751 1.0688462), wk = 0.0036630 k( 140) = ( 0.5000000 0.2886751 1.0688462), wk = 0.0036630 k( 141) = ( 0.4880952 0.3092948 1.0688462), wk = 0.0036630 k( 142) = ( 0.4761905 0.3299144 1.0688462), wk = 0.0036630 k( 143) = ( 0.4642857 0.3505341 1.0688462), wk = 0.0036630 k( 144) = ( 0.4523810 0.3711537 1.0688462), wk = 0.0036630 k( 145) = ( 0.4404762 0.3917734 1.0688462), wk = 0.0036630 k( 146) = ( 0.4285714 0.4123930 1.0688462), wk = 0.0036630 k( 147) = ( 0.4166667 0.4330127 1.0688462), wk = 0.0036630 k( 148) = ( 0.4047619 0.4536324 1.0688462), wk = 0.0036630 k( 149) = ( 0.3928571 0.4742520 1.0688462), wk = 0.0036630 k( 150) = ( 0.3809524 0.4948717 1.0688462), wk = 0.0036630 k( 151) = ( 0.3690476 0.5154913 1.0688462), wk = 0.0036630 k( 152) = ( 0.3571429 0.5361110 1.0688462), wk = 0.0036630 k( 153) = ( 0.3452381 0.5567306 1.0688462), wk = 0.0036630 k( 154) = ( 0.3333333 0.5773503 1.0688462), wk = 0.0036630 k( 155) = ( 0.3333333 0.5773503 1.0688462), wk = 0.0036630 k( 156) = ( 0.3214286 0.5567306 1.0688462), wk = 0.0036630 k( 157) = ( 0.3095238 0.5361110 1.0688462), wk = 0.0036630 k( 158) = ( 0.2976190 0.5154913 1.0688462), wk = 0.0036630 k( 159) = ( 0.2857143 0.4948717 1.0688462), wk = 0.0036630 k( 160) = ( 0.2738095 0.4742520 1.0688462), wk = 0.0036630 k( 161) = ( 0.2619048 0.4536324 1.0688462), wk = 0.0036630 k( 162) = ( 0.2500000 0.4330127 1.0688462), wk = 0.0036630 k( 163) = ( 0.2380952 0.4123931 1.0688462), wk = 0.0036630 k( 164) = ( 0.2261905 0.3917734 1.0688462), wk = 0.0036630 k( 165) = ( 0.2142857 0.3711537 1.0688462), wk = 0.0036630 k( 166) = ( 0.2023810 0.3505341 1.0688462), wk = 0.0036630 k( 167) = ( 0.1904762 0.3299144 1.0688462), wk = 0.0036630 k( 168) = ( 0.1785714 0.3092948 1.0688462), wk = 0.0036630 k( 169) = ( 0.1666667 0.2886751 1.0688462), wk = 0.0036630 k( 170) = ( 0.1547619 0.2680555 1.0688462), wk = 0.0036630 k( 171) = ( 0.1428571 0.2474358 1.0688462), wk = 0.0036630 k( 172) = ( 0.1309524 0.2268162 1.0688462), wk = 0.0036630 k( 173) = ( 0.1190476 0.2061965 1.0688462), wk = 0.0036630 k( 174) = ( 0.1071429 0.1855769 1.0688462), wk = 0.0036630 k( 175) = ( 0.0952381 0.1649572 1.0688462), wk = 0.0036630 k( 176) = ( 0.0833333 0.1443376 1.0688462), wk = 0.0036630 k( 177) = ( 0.0714286 0.1237179 1.0688462), wk = 0.0036630 k( 178) = ( 0.0595238 0.1030983 1.0688462), wk = 0.0036630 k( 179) = ( 0.0476191 0.0824786 1.0688462), wk = 0.0036630 k( 180) = ( 0.0357143 0.0618590 1.0688462), wk = 0.0036630 k( 181) = ( 0.0238095 0.0412393 1.0688462), wk = 0.0036630 k( 182) = ( 0.0119048 0.0206196 1.0688462), wk = 0.0036630 k( 183) = ( 0.0000000 0.0000000 1.0688462), wk = 0.0036630 k( 184) = ( 0.5000000 0.2886751 1.0688462), wk = 0.0036630 k( 185) = ( 0.5000000 0.2886751 1.0445542), wk = 0.0036630 k( 186) = ( 0.5000000 0.2886751 1.0202623), wk = 0.0036630 k( 187) = ( 0.5000000 0.2886751 0.9959703), wk = 0.0036630 k( 188) = ( 0.5000000 0.2886751 0.9716783), wk = 0.0036630 k( 189) = ( 0.5000000 0.2886751 0.9473864), wk = 0.0036630 k( 190) = ( 0.5000000 0.2886751 0.9230944), wk = 0.0036630 k( 191) = ( 0.5000000 0.2886751 0.8988025), wk = 0.0036630 k( 192) = ( 0.5000000 0.2886751 0.8745105), wk = 0.0036630 k( 193) = ( 0.5000000 0.2886751 0.8502185), wk = 0.0036630 k( 194) = ( 0.5000000 0.2886751 0.8259266), wk = 0.0036630 k( 195) = ( 0.5000000 0.2886751 0.8016346), wk = 0.0036630 k( 196) = ( 0.5000000 0.2886751 0.7773427), wk = 0.0036630 k( 197) = ( 0.5000000 0.2886751 0.7530507), wk = 0.0036630 k( 198) = ( 0.5000000 0.2886751 0.7287588), wk = 0.0036630 k( 199) = ( 0.5000000 0.2886751 0.7044668), wk = 0.0036630 k( 200) = ( 0.5000000 0.2886751 0.6801748), wk = 0.0036630 k( 201) = ( 0.5000000 0.2886751 0.6558829), wk = 0.0036630 k( 202) = ( 0.5000000 0.2886751 0.6315909), wk = 0.0036630 k( 203) = ( 0.5000000 0.2886751 0.6072990), wk = 0.0036630 k( 204) = ( 0.5000000 0.2886751 0.5830070), wk = 0.0036630 k( 205) = ( 0.5000000 0.2886751 0.5587151), wk = 0.0036630 k( 206) = ( 0.5000000 0.2886751 0.5344231), wk = 0.0036630 k( 207) = ( 0.5000000 0.2886751 0.5101311), wk = 0.0036630 k( 208) = ( 0.5000000 0.2886751 0.4858392), wk = 0.0036630 k( 209) = ( 0.5000000 0.2886751 0.4615472), wk = 0.0036630 k( 210) = ( 0.5000000 0.2886751 0.4372552), wk = 0.0036630 k( 211) = ( 0.5000000 0.2886751 0.4129633), wk = 0.0036630 k( 212) = ( 0.5000000 0.2886751 0.3886713), wk = 0.0036630 k( 213) = ( 0.5000000 0.2886751 0.3643794), wk = 0.0036630 k( 214) = ( 0.5000000 0.2886751 0.3400874), wk = 0.0036630 k( 215) = ( 0.5000000 0.2886751 0.3157955), wk = 0.0036630 k( 216) = ( 0.5000000 0.2886751 0.2915035), wk = 0.0036630 k( 217) = ( 0.5000000 0.2886751 0.2672115), wk = 0.0036630 k( 218) = ( 0.5000000 0.2886751 0.2429196), wk = 0.0036630 k( 219) = ( 0.5000000 0.2886751 0.2186276), wk = 0.0036630 k( 220) = ( 0.5000000 0.2886751 0.1943357), wk = 0.0036630 k( 221) = ( 0.5000000 0.2886751 0.1700437), wk = 0.0036630 k( 222) = ( 0.5000000 0.2886751 0.1457518), wk = 0.0036630 k( 223) = ( 0.5000000 0.2886751 0.1214598), wk = 0.0036630 k( 224) = ( 0.5000000 0.2886751 0.0971678), wk = 0.0036630 k( 225) = ( 0.5000000 0.2886751 0.0728759), wk = 0.0036630 k( 226) = ( 0.5000000 0.2886751 0.0485839), wk = 0.0036630 k( 227) = ( 0.5000000 0.2886751 0.0242920), wk = 0.0036630 k( 228) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036630 k( 229) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036630 k( 230) = ( 0.3333333 0.5773503 0.0242920), wk = 0.0036630 k( 231) = ( 0.3333333 0.5773503 0.0485839), wk = 0.0036630 k( 232) = ( 0.3333333 0.5773503 0.0728759), wk = 0.0036630 k( 233) = ( 0.3333333 0.5773503 0.0971678), wk = 0.0036630 k( 234) = ( 0.3333333 0.5773503 0.1214598), wk = 0.0036630 k( 235) = ( 0.3333333 0.5773503 0.1457518), wk = 0.0036630 k( 236) = ( 0.3333333 0.5773503 0.1700437), wk = 0.0036630 k( 237) = ( 0.3333333 0.5773503 0.1943357), wk = 0.0036630 k( 238) = ( 0.3333333 0.5773503 0.2186276), wk = 0.0036630 k( 239) = ( 0.3333333 0.5773503 0.2429196), wk = 0.0036630 k( 240) = ( 0.3333333 0.5773503 0.2672115), wk = 0.0036630 k( 241) = ( 0.3333333 0.5773503 0.2915035), wk = 0.0036630 k( 242) = ( 0.3333333 0.5773503 0.3157955), wk = 0.0036630 k( 243) = ( 0.3333333 0.5773503 0.3400874), wk = 0.0036630 k( 244) = ( 0.3333333 0.5773503 0.3643794), wk = 0.0036630 k( 245) = ( 0.3333333 0.5773503 0.3886713), wk = 0.0036630 k( 246) = ( 0.3333333 0.5773503 0.4129633), wk = 0.0036630 k( 247) = ( 0.3333333 0.5773503 0.4372552), wk = 0.0036630 k( 248) = ( 0.3333333 0.5773503 0.4615472), wk = 0.0036630 k( 249) = ( 0.3333333 0.5773503 0.4858392), wk = 0.0036630 k( 250) = ( 0.3333333 0.5773503 0.5101311), wk = 0.0036630 k( 251) = ( 0.3333333 0.5773503 0.5344231), wk = 0.0036630 k( 252) = ( 0.3333333 0.5773503 0.5587151), wk = 0.0036630 k( 253) = ( 0.3333333 0.5773503 0.5830070), wk = 0.0036630 k( 254) = ( 0.3333333 0.5773503 0.6072990), wk = 0.0036630 k( 255) = ( 0.3333333 0.5773503 0.6315909), wk = 0.0036630 k( 256) = ( 0.3333333 0.5773503 0.6558829), wk = 0.0036630 k( 257) = ( 0.3333333 0.5773503 0.6801748), wk = 0.0036630 k( 258) = ( 0.3333333 0.5773503 0.7044668), wk = 0.0036630 k( 259) = ( 0.3333333 0.5773503 0.7287588), wk = 0.0036630 k( 260) = ( 0.3333333 0.5773503 0.7530507), wk = 0.0036630 k( 261) = ( 0.3333333 0.5773503 0.7773427), wk = 0.0036630 k( 262) = ( 0.3333333 0.5773503 0.8016346), wk = 0.0036630 k( 263) = ( 0.3333333 0.5773503 0.8259266), wk = 0.0036630 k( 264) = ( 0.3333333 0.5773503 0.8502185), wk = 0.0036630 k( 265) = ( 0.3333333 0.5773503 0.8745105), wk = 0.0036630 k( 266) = ( 0.3333333 0.5773503 0.8988025), wk = 0.0036630 k( 267) = ( 0.3333333 0.5773503 0.9230944), wk = 0.0036630 k( 268) = ( 0.3333333 0.5773503 0.9473864), wk = 0.0036630 k( 269) = ( 0.3333333 0.5773503 0.9716783), wk = 0.0036630 k( 270) = ( 0.3333333 0.5773503 0.9959703), wk = 0.0036630 k( 271) = ( 0.3333333 0.5773503 1.0202623), wk = 0.0036630 k( 272) = ( 0.3333333 0.5773503 1.0445542), wk = 0.0036630 k( 273) = ( 0.3333333 0.5773503 1.0688462), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0036630 k( 3) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0036630 k( 4) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0036630 k( 5) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0036630 k( 6) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0036630 k( 7) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0036630 k( 8) = ( 0.1458333 0.0000000 -0.0000000), wk = 0.0036630 k( 9) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0036630 k( 10) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0036630 k( 11) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0036630 k( 12) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0036630 k( 13) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0036630 k( 14) = ( 0.2708333 0.0000000 -0.0000000), wk = 0.0036630 k( 15) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0036630 k( 16) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0036630 k( 17) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0036630 k( 18) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0036630 k( 19) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0036630 k( 20) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0036630 k( 21) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0036630 k( 22) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0036630 k( 23) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0036630 k( 24) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0036630 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 26) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 27) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0036630 k( 28) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0036630 k( 29) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0036630 k( 30) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0036630 k( 31) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0036630 k( 32) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0036630 k( 33) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0036630 k( 34) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0036630 k( 35) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0036630 k( 36) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0036630 k( 37) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0036630 k( 38) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0036630 k( 39) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0036630 k( 40) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 41) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 42) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0036630 k( 43) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0036630 k( 44) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0036630 k( 45) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0036630 k( 46) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0036630 k( 47) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0036630 k( 48) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036630 k( 49) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0036630 k( 50) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0036630 k( 51) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0036630 k( 52) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0036630 k( 53) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0036630 k( 54) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0036630 k( 55) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0036630 k( 56) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0036630 k( 57) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0036630 k( 58) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0036630 k( 59) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0036630 k( 60) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0036630 k( 61) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0036630 k( 62) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0036630 k( 63) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0036630 k( 64) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0036630 k( 65) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0036630 k( 66) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0036630 k( 67) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0036630 k( 68) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0036630 k( 69) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 70) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 71) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0036630 k( 72) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0036630 k( 73) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0036630 k( 74) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0036630 k( 75) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0036630 k( 76) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0036630 k( 77) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0036630 k( 78) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0036630 k( 79) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0036630 k( 80) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0036630 k( 81) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036630 k( 82) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0036630 k( 83) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0036630 k( 84) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0036630 k( 85) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0036630 k( 86) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0036630 k( 87) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0036630 k( 88) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0036630 k( 89) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0036630 k( 90) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0036630 k( 91) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0036630 k( 92) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 93) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0036630 k( 94) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0036630 k( 95) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0036630 k( 96) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0036630 k( 97) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0036630 k( 98) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0036630 k( 99) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0036630 k( 100) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0036630 k( 101) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0036630 k( 102) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0036630 k( 103) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036630 k( 104) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0036630 k( 105) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0036630 k( 106) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0036630 k( 107) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0036630 k( 108) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0036630 k( 109) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0036630 k( 110) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0036630 k( 113) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0036630 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 116) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0036630 k( 117) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0036630 k( 118) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0036630 k( 119) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0036630 k( 120) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0036630 k( 121) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0036630 k( 122) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0036630 k( 123) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0036630 k( 124) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0036630 k( 125) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0036630 k( 126) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0036630 k( 127) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036630 k( 128) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0036630 k( 129) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0036630 k( 130) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0036630 k( 131) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036630 k( 132) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0036630 k( 133) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0036630 k( 134) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0036630 k( 135) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0036630 k( 136) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0036630 k( 137) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0036630 k( 138) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0036630 k( 139) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 140) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 141) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0036630 k( 142) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0036630 k( 143) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0036630 k( 144) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0036630 k( 145) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0036630 k( 146) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0036630 k( 147) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036630 k( 148) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0036630 k( 149) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0036630 k( 150) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0036630 k( 151) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0036630 k( 152) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0036630 k( 153) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0036630 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 k( 155) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 k( 156) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0036630 k( 157) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0036630 k( 158) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0036630 k( 159) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0036630 k( 160) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0036630 k( 161) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0036630 k( 162) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036630 k( 163) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0036630 k( 164) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0036630 k( 165) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0036630 k( 166) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0036630 k( 167) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0036630 k( 168) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0036630 k( 169) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036630 k( 170) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0036630 k( 171) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0036630 k( 172) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0036630 k( 173) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0036630 k( 174) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0036630 k( 175) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0036630 k( 176) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0036630 k( 177) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0036630 k( 178) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0036630 k( 179) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0036630 k( 180) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0036630 k( 181) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0036630 k( 182) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0036630 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 185) = ( 0.5000000 0.0000000 0.4886364), wk = 0.0036630 k( 186) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0036630 k( 187) = ( 0.5000000 0.0000000 0.4659091), wk = 0.0036630 k( 188) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0036630 k( 189) = ( 0.5000000 0.0000000 0.4431818), wk = 0.0036630 k( 190) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0036630 k( 191) = ( 0.5000000 0.0000000 0.4204545), wk = 0.0036630 k( 192) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0036630 k( 193) = ( 0.5000000 0.0000000 0.3977273), wk = 0.0036630 k( 194) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0036630 k( 195) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0036630 k( 196) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0036630 k( 197) = ( 0.5000000 0.0000000 0.3522727), wk = 0.0036630 k( 198) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0036630 k( 199) = ( 0.5000000 0.0000000 0.3295455), wk = 0.0036630 k( 200) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0036630 k( 201) = ( 0.5000000 0.0000000 0.3068182), wk = 0.0036630 k( 202) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0036630 k( 203) = ( 0.5000000 0.0000000 0.2840909), wk = 0.0036630 k( 204) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0036630 k( 205) = ( 0.5000000 0.0000000 0.2613636), wk = 0.0036630 k( 206) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036630 k( 207) = ( 0.5000000 0.0000000 0.2386364), wk = 0.0036630 k( 208) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0036630 k( 209) = ( 0.5000000 0.0000000 0.2159091), wk = 0.0036630 k( 210) = ( 0.5000000 0.0000000 0.2045455), wk = 0.0036630 k( 211) = ( 0.5000000 0.0000000 0.1931818), wk = 0.0036630 k( 212) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0036630 k( 213) = ( 0.5000000 0.0000000 0.1704546), wk = 0.0036630 k( 214) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0036630 k( 215) = ( 0.5000000 0.0000000 0.1477273), wk = 0.0036630 k( 216) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0036630 k( 217) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0036630 k( 218) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0036630 k( 219) = ( 0.5000000 0.0000000 0.1022727), wk = 0.0036630 k( 220) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0036630 k( 221) = ( 0.5000000 0.0000000 0.0795454), wk = 0.0036630 k( 222) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0036630 k( 223) = ( 0.5000000 0.0000000 0.0568182), wk = 0.0036630 k( 224) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0036630 k( 225) = ( 0.5000000 0.0000000 0.0340909), wk = 0.0036630 k( 226) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0036630 k( 227) = ( 0.5000000 0.0000000 0.0113636), wk = 0.0036630 k( 228) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 229) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036630 k( 230) = ( 0.3333333 0.3333333 0.0113636), wk = 0.0036630 k( 231) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0036630 k( 232) = ( 0.3333333 0.3333333 0.0340909), wk = 0.0036630 k( 233) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0036630 k( 234) = ( 0.3333333 0.3333333 0.0568182), wk = 0.0036630 k( 235) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0036630 k( 236) = ( 0.3333333 0.3333333 0.0795454), wk = 0.0036630 k( 237) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0036630 k( 238) = ( 0.3333333 0.3333333 0.1022727), wk = 0.0036630 k( 239) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0036630 k( 240) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0036630 k( 241) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0036630 k( 242) = ( 0.3333333 0.3333333 0.1477273), wk = 0.0036630 k( 243) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0036630 k( 244) = ( 0.3333333 0.3333333 0.1704546), wk = 0.0036630 k( 245) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0036630 k( 246) = ( 0.3333333 0.3333333 0.1931818), wk = 0.0036630 k( 247) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0036630 k( 248) = ( 0.3333333 0.3333333 0.2159091), wk = 0.0036630 k( 249) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0036630 k( 250) = ( 0.3333333 0.3333333 0.2386364), wk = 0.0036630 k( 251) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036630 k( 252) = ( 0.3333333 0.3333333 0.2613636), wk = 0.0036630 k( 253) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0036630 k( 254) = ( 0.3333333 0.3333333 0.2840909), wk = 0.0036630 k( 255) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0036630 k( 256) = ( 0.3333333 0.3333333 0.3068182), wk = 0.0036630 k( 257) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0036630 k( 258) = ( 0.3333333 0.3333333 0.3295455), wk = 0.0036630 k( 259) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0036630 k( 260) = ( 0.3333333 0.3333333 0.3522727), wk = 0.0036630 k( 261) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0036630 k( 262) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0036630 k( 263) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0036630 k( 264) = ( 0.3333333 0.3333333 0.3977273), wk = 0.0036630 k( 265) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0036630 k( 266) = ( 0.3333333 0.3333333 0.4204545), wk = 0.0036630 k( 267) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0036630 k( 268) = ( 0.3333333 0.3333333 0.4431818), wk = 0.0036630 k( 269) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0036630 k( 270) = ( 0.3333333 0.3333333 0.4659091), wk = 0.0036630 k( 271) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0036630 k( 272) = ( 0.3333333 0.3333333 0.4886364), wk = 0.0036630 k( 273) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036630 Dense grid: 78885 G-vectors FFT dimensions: ( 72, 72, 36) Smooth grid: 60811 G-vectors FFT dimensions: ( 72, 72, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 320, 52) NL pseudopotentials 0.40 Mb ( 160, 162) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1645) G-vector shells 0.01 Mb ( 834) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 320, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.26 Mb ( 162, 2, 52) The potential is recalculated from file : ./Zr6FeTe2.save/charge-density.dat Starting wfc are 142 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 49.2 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 59.4 secs Computing kpt #: 3 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 67.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.9 secs Computing kpt #: 5 total cpu time spent up to now is 83.8 secs Computing kpt #: 6 total cpu time spent up to now is 91.3 secs Computing kpt #: 7 total cpu time spent up to now is 99.1 secs Computing kpt #: 8 total cpu time spent up to now is 106.7 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.6 secs Computing kpt #: 10 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 131.7 secs Computing kpt #: 11 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 143.1 secs Computing kpt #: 12 c_bands: 8 eigenvalues not converged total cpu time spent up to now is 173.0 secs Computing kpt #: 13 c_bands: 8 eigenvalues not converged total cpu time spent up to now is 187.8 secs Computing kpt #: 14 c_bands: 7 eigenvalues not converged total cpu time spent up to now is 200.1 secs Computing kpt #: 15 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 208.4 secs Computing kpt #: 16 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 218.9 secs Computing kpt #: 17 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 248.7 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.7 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.1 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.8 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.0 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.7 secs Computing kpt #: 23 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 327.0 secs Computing kpt #: 24 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 344.1 secs Computing kpt #: 25 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 352.2 secs Computing kpt #: 26 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 361.3 secs Computing kpt #: 27 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 369.3 secs Computing kpt #: 28 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 377.3 secs Computing kpt #: 29 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 402.1 secs Computing kpt #: 30 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 410.4 secs Computing kpt #: 31 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 419.9 secs Computing kpt #: 32 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 431.9 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.6 secs Computing kpt #: 34 total cpu time spent up to now is 446.7 secs Computing kpt #: 35 total cpu time spent up to now is 453.2 secs Computing kpt #: 36 total cpu time spent up to now is 459.4 secs Computing kpt #: 37 total cpu time spent up to now is 465.8 secs Computing kpt #: 38 total cpu time spent up to now is 473.6 secs Computing kpt #: 39 total cpu time spent up to now is 479.6 secs Computing kpt #: 40 total cpu time spent up to now is 485.8 secs Computing kpt #: 41 total cpu time spent up to now is 492.0 secs Computing kpt #: 42 total cpu time spent up to now is 498.2 secs Computing kpt #: 43 total cpu time spent up to now is 504.5 secs Computing kpt #: 44 total cpu time spent up to now is 511.0 secs Computing kpt #: 45 total cpu time spent up to now is 517.8 secs Computing kpt #: 46 total cpu time spent up to now is 524.5 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.2 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.3 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.9 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.4 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.2 secs Computing kpt #: 52 total cpu time spent up to now is 570.4 secs Computing kpt #: 53 total cpu time spent up to now is 577.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.2 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.1 secs Computing kpt #: 56 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 601.3 secs Computing kpt #: 57 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 609.3 secs Computing kpt #: 58 c_bands: 7 eigenvalues not converged total cpu time spent up to now is 617.5 secs Computing kpt #: 59 c_bands: 7 eigenvalues not converged total cpu time spent up to now is 625.6 secs Computing kpt #: 60 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 634.2 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.6 secs Computing kpt #: 62 total cpu time spent up to now is 650.6 secs Computing kpt #: 63 total cpu time spent up to now is 660.5 secs Computing kpt #: 64 total cpu time spent up to now is 668.2 secs Computing kpt #: 65 total cpu time spent up to now is 675.6 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.4 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.2 secs Computing kpt #: 68 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 699.2 secs Computing kpt #: 69 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 707.2 secs Computing kpt #: 70 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 715.1 secs Computing kpt #: 71 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 723.4 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.3 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.4 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.0 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 754.6 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.3 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.5 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 777.9 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.3 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 799.5 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 806.5 secs Computing kpt #: 83 total cpu time spent up to now is 813.9 secs Computing kpt #: 84 total cpu time spent up to now is 819.6 secs Computing kpt #: 85 total cpu time spent up to now is 825.0 secs Computing kpt #: 86 total cpu time spent up to now is 830.3 secs Computing kpt #: 87 total cpu time spent up to now is 835.4 secs Computing kpt #: 88 total cpu time spent up to now is 840.2 secs Computing kpt #: 89 total cpu time spent up to now is 845.1 secs Computing kpt #: 90 total cpu time spent up to now is 849.9 secs Computing kpt #: 91 total cpu time spent up to now is 854.7 secs Computing kpt #: 92 total cpu time spent up to now is 859.8 secs Computing kpt #: 93 total cpu time spent up to now is 865.3 secs Computing kpt #: 94 total cpu time spent up to now is 870.3 secs Computing kpt #: 95 total cpu time spent up to now is 875.4 secs Computing kpt #: 96 total cpu time spent up to now is 880.8 secs Computing kpt #: 97 total cpu time spent up to now is 886.4 secs Computing kpt #: 98 total cpu time spent up to now is 892.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 906.5 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.5 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 920.7 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.9 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 935.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 949.4 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 958.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 966.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.3 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 996.6 secs Computing kpt #: 113 total cpu time spent up to now is 1003.2 secs Computing kpt #: 114 total cpu time spent up to now is 1010.5 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1017.4 secs Computing kpt #: 116 total cpu time spent up to now is 1024.2 secs Computing kpt #: 117 total cpu time spent up to now is 1030.7 secs Computing kpt #: 118 total cpu time spent up to now is 1036.9 secs Computing kpt #: 119 total cpu time spent up to now is 1043.0 secs Computing kpt #: 120 total cpu time spent up to now is 1048.9 secs Computing kpt #: 121 total cpu time spent up to now is 1055.7 secs Computing kpt #: 122 total cpu time spent up to now is 1062.4 secs Computing kpt #: 123 total cpu time spent up to now is 1069.4 secs Computing kpt #: 124 total cpu time spent up to now is 1076.7 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.2 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1091.6 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1099.2 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1106.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1113.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.2 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1128.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.5 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1142.6 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1149.6 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1156.6 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1163.9 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.8 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1177.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1184.6 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1191.7 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1198.6 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1205.5 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1212.5 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1219.2 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1225.9 secs Computing kpt #: 146 total cpu time spent up to now is 1232.2 secs Computing kpt #: 147 total cpu time spent up to now is 1238.2 secs Computing kpt #: 148 total cpu time spent up to now is 1244.1 secs Computing kpt #: 149 total cpu time spent up to now is 1249.3 secs Computing kpt #: 150 total cpu time spent up to now is 1255.3 secs Computing kpt #: 151 total cpu time spent up to now is 1260.2 secs Computing kpt #: 152 total cpu time spent up to now is 1265.0 secs Computing kpt #: 153 total cpu time spent up to now is 1269.6 secs Computing kpt #: 154 total cpu time spent up to now is 1274.4 secs Computing kpt #: 155 total cpu time spent up to now is 1279.1 secs Computing kpt #: 156 total cpu time spent up to now is 1284.1 secs Computing kpt #: 157 total cpu time spent up to now is 1288.7 secs Computing kpt #: 158 total cpu time spent up to now is 1293.7 secs Computing kpt #: 159 total cpu time spent up to now is 1298.7 secs Computing kpt #: 160 total cpu time spent up to now is 1304.1 secs Computing kpt #: 161 total cpu time spent up to now is 1309.3 secs Computing kpt #: 162 total cpu time spent up to now is 1314.7 secs Computing kpt #: 163 total cpu time spent up to now is 1320.4 secs Computing kpt #: 164 total cpu time spent up to now is 1326.3 secs Computing kpt #: 165 total cpu time spent up to now is 1332.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1339.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1346.9 secs Computing kpt #: 168 total cpu time spent up to now is 1353.6 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1360.8 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1367.9 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1375.0 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1382.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.9 secs Computing kpt #: 174 total cpu time spent up to now is 1397.1 secs Computing kpt #: 175 total cpu time spent up to now is 1403.6 secs Computing kpt #: 176 total cpu time spent up to now is 1410.2 secs Computing kpt #: 177 total cpu time spent up to now is 1416.1 secs Computing kpt #: 178 total cpu time spent up to now is 1422.3 secs Computing kpt #: 179 total cpu time spent up to now is 1428.1 secs Computing kpt #: 180 total cpu time spent up to now is 1434.1 secs Computing kpt #: 181 total cpu time spent up to now is 1440.5 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1447.8 secs Computing kpt #: 183 total cpu time spent up to now is 1454.6 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1461.5 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1468.4 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1475.3 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1482.4 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1490.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1497.3 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1505.5 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1512.5 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1519.7 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1526.9 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1533.9 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1540.9 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1547.8 secs Computing kpt #: 197 total cpu time spent up to now is 1555.1 secs Computing kpt #: 198 total cpu time spent up to now is 1562.1 secs Computing kpt #: 199 total cpu time spent up to now is 1568.8 secs Computing kpt #: 200 total cpu time spent up to now is 1575.1 secs Computing kpt #: 201 total cpu time spent up to now is 1581.3 secs Computing kpt #: 202 total cpu time spent up to now is 1587.5 secs Computing kpt #: 203 total cpu time spent up to now is 1594.2 secs Computing kpt #: 204 total cpu time spent up to now is 1601.1 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1608.1 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1615.1 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1622.2 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1629.3 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.4 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1643.6 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1650.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1657.9 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1665.1 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1672.3 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1679.3 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1686.5 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1693.6 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1701.3 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1708.6 secs Computing kpt #: 220 total cpu time spent up to now is 1716.2 secs Computing kpt #: 221 total cpu time spent up to now is 1723.1 secs Computing kpt #: 222 total cpu time spent up to now is 1730.0 secs Computing kpt #: 223 total cpu time spent up to now is 1737.1 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1744.6 secs Computing kpt #: 225 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1752.4 secs Computing kpt #: 226 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1760.5 secs Computing kpt #: 227 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1768.6 secs Computing kpt #: 228 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 1776.7 secs Computing kpt #: 229 total cpu time spent up to now is 1782.8 secs Computing kpt #: 230 total cpu time spent up to now is 1789.0 secs Computing kpt #: 231 total cpu time spent up to now is 1795.3 secs Computing kpt #: 232 total cpu time spent up to now is 1801.6 secs Computing kpt #: 233 total cpu time spent up to now is 1807.7 secs Computing kpt #: 234 total cpu time spent up to now is 1814.0 secs Computing kpt #: 235 total cpu time spent up to now is 1820.6 secs Computing kpt #: 236 total cpu time spent up to now is 1827.2 secs Computing kpt #: 237 total cpu time spent up to now is 1834.2 secs Computing kpt #: 238 total cpu time spent up to now is 1841.5 secs Computing kpt #: 239 total cpu time spent up to now is 1849.1 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1857.6 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1865.2 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1872.7 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1880.2 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1887.5 secs Computing kpt #: 245 total cpu time spent up to now is 1894.6 secs Computing kpt #: 246 total cpu time spent up to now is 1901.4 secs Computing kpt #: 247 total cpu time spent up to now is 1907.6 secs Computing kpt #: 248 total cpu time spent up to now is 1913.9 secs Computing kpt #: 249 total cpu time spent up to now is 1919.8 secs Computing kpt #: 250 total cpu time spent up to now is 1925.5 secs Computing kpt #: 251 total cpu time spent up to now is 1931.1 secs Computing kpt #: 252 total cpu time spent up to now is 1936.6 secs Computing kpt #: 253 total cpu time spent up to now is 1942.1 secs Computing kpt #: 254 total cpu time spent up to now is 1947.4 secs Computing kpt #: 255 total cpu time spent up to now is 1952.6 secs Computing kpt #: 256 total cpu time spent up to now is 1958.0 secs Computing kpt #: 257 total cpu time spent up to now is 1963.3 secs Computing kpt #: 258 total cpu time spent up to now is 1968.4 secs Computing kpt #: 259 total cpu time spent up to now is 1973.8 secs Computing kpt #: 260 total cpu time spent up to now is 1979.0 secs Computing kpt #: 261 total cpu time spent up to now is 1984.1 secs Computing kpt #: 262 total cpu time spent up to now is 1989.3 secs Computing kpt #: 263 total cpu time spent up to now is 1994.5 secs Computing kpt #: 264 total cpu time spent up to now is 1999.8 secs Computing kpt #: 265 total cpu time spent up to now is 2005.3 secs Computing kpt #: 266 total cpu time spent up to now is 2010.8 secs Computing kpt #: 267 total cpu time spent up to now is 2016.1 secs Computing kpt #: 268 total cpu time spent up to now is 2021.3 secs Computing kpt #: 269 total cpu time spent up to now is 2026.6 secs Computing kpt #: 270 total cpu time spent up to now is 2031.6 secs Computing kpt #: 271 total cpu time spent up to now is 2036.8 secs Computing kpt #: 272 total cpu time spent up to now is 2041.8 secs Computing kpt #: 273 total cpu time spent up to now is 2046.3 secs ethr = 2.27E-11, avg # of iterations =101.6 total cpu time spent up to now is 2046.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7647 PWs) bands (ev): -3.5685 -3.5685 -2.9747 -2.9747 3.6562 3.6562 3.9433 3.9433 4.9042 4.9042 5.2668 5.2668 5.4823 5.4823 6.8280 6.8280 7.1145 7.1145 7.4438 7.4438 7.4575 7.4575 7.9595 7.9595 7.9658 7.9658 8.0591 8.0591 8.0814 8.0814 8.5353 8.5353 8.5685 8.5685 9.4943 9.4943 9.5228 9.5228 10.3265 10.3265 10.3281 10.3281 10.5204 10.5204 10.7575 10.7575 10.8254 10.8254 10.8299 10.8299 10.8946 10.8947 k = 0.0208 0.0120-0.0000 ( 7653 PWs) bands (ev): -3.5679 -3.5679 -2.9753 -2.9753 3.6561 3.6561 3.9425 3.9426 4.9009 4.9011 5.2566 5.2567 5.4970 5.4970 6.8289 6.8289 7.1152 7.1152 7.4446 7.4449 7.4586 7.4589 7.9569 7.9572 7.9674 7.9677 8.0600 8.0601 8.0816 8.0817 8.5353 8.5354 8.5685 8.5685 9.4907 9.4908 9.5191 9.5192 10.3235 10.3248 10.3271 10.3285 10.5204 10.5204 10.7550 10.7552 10.8264 10.8264 10.8278 10.8280 10.8990 10.9014 k = 0.0417 0.0241-0.0000 ( 7655 PWs) bands (ev): -3.5662 -3.5662 -2.9771 -2.9771 3.6557 3.6559 3.9401 3.9405 4.8910 4.8919 5.2330 5.2338 5.5342 5.5342 6.8316 6.8316 7.1174 7.1174 7.4461 7.4482 7.4617 7.4639 7.9511 7.9523 7.9701 7.9717 8.0624 8.0631 8.0823 8.0827 8.5353 8.5357 8.5685 8.5688 9.4798 9.4805 9.5082 9.5090 10.3151 10.3182 10.3258 10.3292 10.5203 10.5205 10.7490 10.7505 10.8226 10.8231 10.8341 10.8345 10.8998 10.9074 k = 0.0625 0.0361-0.0000 ( 7635 PWs) bands (ev): -3.5634 -3.5634 -2.9800 -2.9800 3.6547 3.6555 3.9358 3.9373 4.8741 4.8770 5.2062 5.2086 5.5832 5.5833 6.8360 6.8361 7.1209 7.1210 7.4473 7.4526 7.4679 7.4735 7.9431 7.9453 7.9733 7.9765 8.0662 8.0683 8.0836 8.0848 8.5351 8.5363 8.5683 8.5695 9.4619 9.4638 9.4907 9.4931 10.3020 10.3060 10.3252 10.3298 10.5200 10.5203 10.7433 10.7473 10.8231 10.8236 10.8438 10.8443 10.8973 10.9092 k = 0.0833 0.0481-0.0000 ( 7627 PWs) bands (ev): -3.5595 -3.5595 -2.9841 -2.9841 3.6531 3.6548 3.9297 3.9331 4.8506 4.8570 5.1822 5.1869 5.6380 5.6381 6.8422 6.8423 7.1258 7.1259 7.4481 7.4566 7.4783 7.4872 7.9329 7.9359 7.9770 7.9820 8.0712 8.0751 8.0866 8.0887 8.5344 8.5372 8.5678 8.5706 9.4376 9.4412 9.4675 9.4723 10.2850 10.2890 10.3254 10.3306 10.5190 10.5197 10.7415 10.7489 10.8273 10.8275 10.8560 10.8561 10.8937 10.9096 k = 0.1042 0.0601-0.0000 ( 7627 PWs) bands (ev): -3.5544 -3.5544 -2.9894 -2.9894 3.6504 3.6536 3.9218 3.9282 4.8219 4.8329 5.1631 5.1707 5.6949 5.6955 6.8501 6.8503 7.1317 7.1319 7.4489 7.4599 7.4929 7.5046 7.9204 7.9238 7.9814 7.9880 8.0772 8.0811 8.0938 8.0948 8.5332 8.5383 8.5670 8.5721 9.4082 9.4135 9.4397 9.4471 10.2647 10.2682 10.3266 10.3316 10.5171 10.5181 10.7454 10.7565 10.8336 10.8338 10.8682 10.8698 10.8897 10.9095 k = 0.1250 0.0722-0.0000 ( 7629 PWs) bands (ev): -3.5484 -3.5484 -2.9957 -2.9957 3.6466 3.6519 3.9121 3.9227 4.7900 4.8066 5.1491 5.1597 5.7523 5.7535 6.8597 6.8600 7.1387 7.1390 7.4496 7.4625 7.5110 7.5252 7.9057 7.9092 7.9864 7.9944 8.0845 8.0857 8.1037 8.1063 8.5313 8.5395 8.5656 8.5737 9.3750 9.3818 9.4082 9.4183 10.2422 10.2450 10.3288 10.3332 10.5141 10.5153 10.7551 10.7700 10.8408 10.8416 10.8793 10.8845 10.8859 10.9094 k = 0.1458 0.0842-0.0000 ( 7625 PWs) bands (ev): -3.5413 -3.5413 -3.0031 -3.0030 3.6413 3.6494 3.9007 3.9166 4.7572 4.7798 5.1396 5.1530 5.8088 5.8109 6.8708 6.8714 7.1466 7.1471 7.4502 7.4647 7.5317 7.5484 7.8888 7.8922 7.9918 8.0009 8.0907 8.0931 8.1155 8.1226 8.5288 8.5407 8.5636 8.5754 9.3393 9.3471 9.3740 9.3863 10.2185 10.2207 10.3321 10.3354 10.5098 10.5110 10.7701 10.7884 10.8480 10.8503 10.8820 10.8894 10.8993 10.9098 k = 0.1667 0.0962-0.0000 ( 7623 PWs) bands (ev): -3.5332 -3.5332 -3.0114 -3.0114 3.6345 3.6460 3.8875 3.9097 4.7257 4.7544 5.1337 5.1495 5.8636 5.8668 6.8834 6.8843 7.1552 7.1559 7.4507 7.4664 7.5544 7.5733 7.8700 7.8731 7.9972 8.0073 8.0973 8.1032 8.1302 8.1419 8.5258 8.5419 8.5610 8.5770 9.3021 9.3107 9.3376 9.3521 10.1948 10.1962 10.3364 10.3384 10.5039 10.5050 10.7893 10.8104 10.8547 10.8590 10.8807 10.8969 10.9081 10.9170 k = 0.1875 0.1083-0.0000 ( 7605 PWs) bands (ev): -3.5243 -3.5243 -3.0207 -3.0207 3.6263 3.6415 3.8728 3.9019 4.6970 4.7318 5.1305 5.1483 5.9158 5.9203 6.8975 6.8988 7.1646 7.1654 7.4512 7.4678 7.5779 7.5993 7.8497 7.8522 8.0023 8.0137 8.1062 8.1153 8.1477 8.1639 8.5223 8.5429 8.5577 8.5783 9.2642 9.2738 9.2996 9.3162 10.1717 10.1726 10.3418 10.3421 10.4965 10.4972 10.8115 10.8331 10.8609 10.8675 10.8835 10.9031 10.9106 10.9316 k = 0.2083 0.1203-0.0000 ( 7603 PWs) bands (ev): -3.5144 -3.5144 -3.0309 -3.0309 3.6168 3.6359 3.8566 3.8928 4.6726 4.7128 5.1294 5.1486 5.9649 5.9708 6.9129 6.9146 7.1744 7.1754 7.4518 7.4689 7.6012 7.6253 7.8283 7.8297 8.0069 8.0199 8.1179 8.1297 8.1676 8.1884 8.5184 8.5437 8.5539 8.5792 9.2261 9.2371 9.2607 9.2798 10.1500 10.1504 10.3463 10.3478 10.4875 10.4878 10.8349 10.8486 10.8664 10.8804 10.8927 10.9090 10.9151 10.9457 k = 0.2292 0.1323-0.0000 ( 7607 PWs) bands (ev): -3.5038 -3.5038 -3.0419 -3.0418 3.6062 3.6292 3.8394 3.8822 4.6531 4.6979 5.1300 5.1501 6.0104 6.0178 6.9295 6.9318 7.1847 7.1859 7.4528 7.4701 7.6229 7.6503 7.8059 7.8063 8.0107 8.0260 8.1330 8.1467 8.1896 8.2148 8.5141 8.5437 8.5500 8.5797 9.1881 9.2013 9.2216 9.2437 10.1299 10.1301 10.3510 10.3543 10.4769 10.4771 10.8540 10.8562 10.8709 10.8924 10.9124 10.9170 10.9239 10.9511 k = 0.2500 0.1443-0.0000 ( 7609 PWs) bands (ev): -3.4925 -3.4925 -3.0535 -3.0535 3.5949 3.6215 3.8214 3.8699 4.6391 4.6875 5.1318 5.1523 6.0518 6.0607 6.9472 6.9502 7.1952 7.1965 7.4544 7.4715 7.6415 7.6730 7.7814 7.7847 8.0140 8.0319 8.1514 8.1665 8.2130 8.2429 8.5095 8.5409 8.5481 8.5797 9.1500 9.1667 9.1832 9.2089 10.1118 10.1119 10.3558 10.3609 10.4648 10.4654 10.8566 10.8657 10.8768 10.8938 10.9048 10.9243 10.9282 10.9454 k = 0.2708 0.1564-0.0000 ( 7621 PWs) bands (ev): -3.4806 -3.4806 -3.0658 -3.0658 3.5832 3.6127 3.8031 3.8560 4.6306 4.6811 5.1346 5.1551 6.0887 6.0990 6.9659 6.9696 7.2058 7.2073 7.4570 7.4735 7.6547 7.6921 7.7569 7.7650 8.0171 8.0378 8.1729 8.1890 8.2376 8.2722 8.5048 8.5355 8.5481 8.5794 9.1121 9.1325 9.1470 9.1764 10.0958 10.0960 10.3606 10.3673 10.4522 10.4528 10.8472 10.8494 10.8650 10.8874 10.9046 10.9113 10.9406 10.9684 k = 0.2917 0.1684-0.0000 ( 7618 PWs) bands (ev): -3.4681 -3.4681 -3.0785 -3.0785 3.5714 3.6031 3.7850 3.8407 4.6271 4.6783 5.1383 5.1583 6.1210 6.1325 6.9854 6.9899 7.2162 7.2179 7.4610 7.4765 7.6595 7.7034 7.7359 7.7499 8.0204 8.0437 8.1971 8.2139 8.2627 8.3019 8.5000 8.5292 8.5487 8.5787 9.0745 9.0981 9.1147 9.1466 10.0820 10.0823 10.3650 10.3731 10.4393 10.4399 10.8071 10.8095 10.8685 10.8962 10.9086 10.9139 10.9539 10.9960 k = 0.3125 0.1804-0.0000 ( 7608 PWs) bands (ev): -3.4553 -3.4553 -3.0916 -3.0916 3.5599 3.5929 3.7678 3.8243 4.6280 4.6785 5.1427 5.1618 6.1486 6.1610 7.0055 7.0107 7.2263 7.2283 7.4667 7.4810 7.6537 7.6932 7.7320 7.7416 8.0243 8.0498 8.2233 8.2405 8.2879 8.3315 8.4952 8.5225 8.5494 8.5778 9.0379 9.0638 9.0867 9.1196 10.0704 10.0707 10.3689 10.3780 10.4270 10.4272 10.7614 10.7654 10.8772 10.9047 10.9132 10.9230 10.9694 11.0197 k = 0.3333 0.1925-0.0000 ( 7612 PWs) bands (ev): -3.4423 -3.4423 -3.1049 -3.1049 3.5491 3.5822 3.7518 3.8074 4.6325 4.6810 5.1476 5.1655 6.1714 6.1844 7.0260 7.0318 7.2358 7.2380 7.4743 7.4871 7.6388 7.6696 7.7372 7.7384 8.0292 8.0561 8.2506 8.2678 8.3125 8.3599 8.4907 8.5156 8.5502 8.5766 9.0031 9.0312 9.0621 9.0953 10.0607 10.0611 10.3719 10.3818 10.4153 10.4157 10.7156 10.7198 10.8892 10.9138 10.9186 10.9353 10.9850 11.0350 k = 0.3542 0.2045-0.0000 ( 7594 PWs) bands (ev): -3.4293 -3.4293 -3.1182 -3.1182 3.5392 3.5712 3.7376 3.7905 4.6396 4.6848 5.1530 5.1693 6.1898 6.2028 7.0466 7.0529 7.2446 7.2470 7.4838 7.4951 7.6192 7.6442 7.7366 7.7402 8.0351 8.0625 8.2781 8.2949 8.3361 8.3862 8.4865 8.5087 8.5511 8.5752 8.9711 9.0010 9.0408 9.0737 10.0529 10.0533 10.3740 10.3841 10.4050 10.4061 10.6708 10.6747 10.9042 10.9238 10.9251 10.9501 10.9998 11.0443 k = 0.3750 0.2165-0.0000 ( 7598 PWs) bands (ev): -3.4165 -3.4164 -3.1313 -3.1312 3.5304 3.5603 3.7256 3.7741 4.6486 4.6893 5.1587 5.1730 6.2042 6.2168 7.0669 7.0736 7.2524 7.2550 7.4952 7.5048 7.5982 7.6191 7.7339 7.7398 8.0420 8.0689 8.3048 8.3207 8.3582 8.4091 8.4828 8.5021 8.5521 8.5737 8.9428 8.9738 9.0227 9.0544 10.0468 10.0471 10.3749 10.3843 10.3977 10.3989 10.6280 10.6312 10.9212 10.9337 10.9345 10.9669 11.0127 11.0480 k = 0.3958 0.2285-0.0000 ( 7598 PWs) bands (ev): -3.4042 -3.4042 -3.1437 -3.1437 3.5232 3.5497 3.7161 3.7586 4.6583 4.6937 5.1643 5.1765 6.2150 6.2266 7.0866 7.0931 7.2591 7.2618 7.5080 7.5157 7.5780 7.5953 7.7293 7.7361 8.0497 8.0748 8.3299 8.3439 8.3786 8.4278 8.4797 8.4960 8.5532 8.5720 8.9192 8.9500 9.0080 9.0375 10.0421 10.0423 10.3749 10.3819 10.3940 10.3942 10.5880 10.5905 10.9352 10.9459 10.9489 10.9848 11.0224 11.0470 k = 0.4167 0.2406-0.0000 ( 7594 PWs) bands (ev): -3.3929 -3.3929 -3.1552 -3.1551 3.5175 3.5399 3.7091 3.7445 4.6682 4.6974 5.1698 5.1796 6.2229 6.2330 7.1048 7.1109 7.2647 7.2674 7.5212 7.5261 7.5609 7.5739 7.7231 7.7297 8.0578 8.0799 8.3522 8.3637 8.3968 8.4414 8.4775 8.4904 8.5545 8.5701 8.9008 8.9295 8.9969 9.0228 10.0386 10.0388 10.3749 10.3792 10.3917 10.3926 10.5520 10.5538 10.9449 10.9576 10.9712 11.0007 11.0283 11.0453 k = 0.4375 0.2526-0.0000 ( 7590 PWs) bands (ev): -3.3830 -3.3830 -3.1651 -3.1651 3.5137 3.5311 3.7047 3.7321 4.6775 4.6999 5.1746 5.1821 6.2286 6.2367 7.1208 7.1260 7.2692 7.2716 7.5300 7.5320 7.5533 7.5576 7.7160 7.7218 8.0658 8.0837 8.3710 8.3794 8.4128 8.4495 8.4762 8.4857 8.5560 8.5681 8.8880 8.9122 8.9896 9.0105 10.0361 10.0362 10.3757 10.3781 10.3904 10.3918 10.5210 10.5220 10.9541 10.9693 10.9950 11.0075 11.0309 11.0513 k = 0.4583 0.2646-0.0000 ( 7596 PWs) bands (ev): -3.3753 -3.3753 -3.1730 -3.1730 3.5118 3.5237 3.7030 3.7217 4.6856 4.7008 5.1787 5.1837 6.2326 6.2382 7.1337 7.1375 7.2726 7.2745 7.5237 7.5308 7.5555 7.5583 7.7091 7.7136 8.0730 8.0857 8.3853 8.3907 8.4262 8.4523 8.4758 8.4821 8.5577 8.5660 8.8807 8.8983 8.9858 9.0005 10.0344 10.0345 10.3778 10.3790 10.3898 10.3909 10.4964 10.4968 10.9634 10.9802 11.0040 11.0119 11.0374 11.0658 k = 0.4792 0.2766-0.0000 ( 7590 PWs) bands (ev): -3.3703 -3.3703 -3.1780 -3.1780 3.5119 3.5179 3.7040 3.7134 4.6922 4.6999 5.1818 5.1843 6.2354 6.2383 7.1425 7.1445 7.2749 7.2759 7.5183 7.5225 7.5621 7.5642 7.7044 7.7069 8.0791 8.0856 8.3946 8.3972 8.4369 8.4504 8.4763 8.4794 8.5596 8.5639 8.8786 8.8879 8.9853 8.9929 10.0335 10.0336 10.3804 10.3809 10.3895 10.3900 10.4799 10.4801 10.9728 10.9868 10.9999 11.0118 11.0567 11.0775 k = 0.5000 0.2887-0.0000 ( 7588 PWs) bands (ev): -3.3685 -3.3685 -3.1798 -3.1798 3.5139 3.5139 3.7075 3.7075 4.6970 4.6970 5.1837 5.1837 6.2373 6.2373 7.1462 7.1462 7.2760 7.2760 7.5177 7.5177 7.5658 7.5658 7.7035 7.7035 8.0834 8.0834 8.3986 8.3986 8.4450 8.4450 8.4776 8.4776 8.5617 8.5617 8.8812 8.8812 8.9878 8.9878 10.0332 10.0332 10.3819 10.3819 10.3895 10.3895 10.4741 10.4741 10.9817 10.9817 11.0051 11.0051 11.0744 11.0744 k = 0.5000 0.2887-0.0000 ( 7588 PWs) bands (ev): -3.3685 -3.3685 -3.1798 -3.1798 3.5139 3.5139 3.7075 3.7075 4.6970 4.6970 5.1837 5.1837 6.2373 6.2373 7.1462 7.1462 7.2760 7.2760 7.5177 7.5177 7.5658 7.5658 7.7035 7.7035 8.0834 8.0834 8.3986 8.3986 8.4450 8.4450 8.4776 8.4776 8.5617 8.5617 8.8812 8.8812 8.9878 8.9878 10.0332 10.0332 10.3819 10.3819 10.3895 10.3895 10.4741 10.4741 10.9817 10.9817 11.0051 11.0051 11.0744 11.0744 k = 0.4881 0.3093-0.0000 ( 7590 PWs) bands (ev): -3.3680 -3.3680 -3.1803 -3.1803 3.5062 3.5062 3.7168 3.7168 4.6928 4.6928 5.1871 5.1871 6.2360 6.2360 7.1471 7.1471 7.2774 7.2774 7.5167 7.5167 7.5665 7.5665 7.7020 7.7020 8.0852 8.0852 8.3973 8.3973 8.4443 8.4443 8.4779 8.4779 8.5613 8.5613 8.8818 8.8818 8.9882 8.9882 10.0354 10.0354 10.3819 10.3819 10.3900 10.3900 10.4729 10.4729 10.9809 10.9809 11.0031 11.0031 11.0646 11.0646 k = 0.4762 0.3299-0.0000 ( 7592 PWs) bands (ev): -3.3664 -3.3664 -3.1819 -3.1819 3.4866 3.4866 3.7410 3.7410 4.6806 4.6806 5.1968 5.1968 6.2320 6.2320 7.1500 7.1500 7.2815 7.2815 7.5135 7.5135 7.5686 7.5686 7.6976 7.6976 8.0907 8.0907 8.3936 8.3936 8.4423 8.4423 8.4788 8.4788 8.5601 8.5601 8.8834 8.8834 8.9896 8.9896 10.0418 10.0418 10.3819 10.3819 10.3914 10.3914 10.4697 10.4697 10.9773 10.9773 10.9959 10.9959 11.0407 11.0407 k = 0.4643 0.3505-0.0000 ( 7598 PWs) bands (ev): -3.3639 -3.3639 -3.1844 -3.1844 3.4610 3.4610 3.7742 3.7742 4.6616 4.6616 5.2116 5.2116 6.2257 6.2257 7.1548 7.1548 7.2881 7.2881 7.5084 7.5084 7.5720 7.5720 7.6908 7.6908 8.0995 8.0995 8.3877 8.3877 8.4388 8.4388 8.4803 8.4803 8.5581 8.5581 8.8861 8.8861 8.9916 8.9916 10.0524 10.0524 10.3821 10.3821 10.3936 10.3936 10.4648 10.4648 10.9674 10.9674 10.9773 10.9773 11.0181 11.0182 k = 0.4524 0.3712-0.0000 ( 7596 PWs) bands (ev): -3.3602 -3.3602 -3.1880 -3.1880 3.4336 3.4336 3.8121 3.8121 4.6373 4.6373 5.2300 5.2300 6.2175 6.2175 7.1614 7.1614 7.2967 7.2967 7.5014 7.5014 7.5764 7.5764 7.6820 7.6820 8.1111 8.1111 8.3800 8.3800 8.4340 8.4340 8.4822 8.4822 8.5555 8.5555 8.8897 8.8897 8.9938 8.9938 10.0669 10.0669 10.3824 10.3824 10.3965 10.3965 10.4589 10.4589 10.9365 10.9365 10.9544 10.9544 11.0033 11.0035 k = 0.4405 0.3918-0.0000 ( 7588 PWs) bands (ev): -3.3556 -3.3556 -3.1926 -3.1926 3.4065 3.4065 3.8523 3.8523 4.6093 4.6093 5.2504 5.2504 6.2078 6.2078 7.1700 7.1700 7.3069 7.3069 7.4926 7.4926 7.5816 7.5816 7.6720 7.6720 8.1251 8.1251 8.3711 8.3711 8.4278 8.4278 8.4846 8.4846 8.5523 8.5523 8.8943 8.8943 8.9960 8.9960 10.0852 10.0852 10.3830 10.3830 10.3999 10.3999 10.4528 10.4528 10.8926 10.8926 10.9271 10.9271 10.9748 10.9749 k = 0.4286 0.4124-0.0000 ( 7600 PWs) bands (ev): -3.3500 -3.3500 -3.1982 -3.1982 3.3808 3.3808 3.8933 3.8933 4.5791 4.5791 5.2715 5.2715 6.1971 6.1971 7.1803 7.1803 7.3180 7.3180 7.4822 7.4822 7.5872 7.5872 7.6614 7.6614 8.1409 8.1409 8.3615 8.3615 8.4203 8.4203 8.4871 8.4871 8.5488 8.5488 8.8996 8.8996 8.9978 8.9978 10.1068 10.1068 10.3840 10.3840 10.4036 10.4036 10.4472 10.4472 10.8466 10.8466 10.8902 10.8902 10.9434 10.9434 k = 0.4167 0.4330-0.0000 ( 7596 PWs) bands (ev): -3.3435 -3.3435 -3.2048 -3.2048 3.3572 3.3572 3.9340 3.9340 4.5479 4.5479 5.2920 5.2920 6.1862 6.1862 7.1924 7.1924 7.3293 7.3293 7.4704 7.4704 7.5928 7.5928 7.6509 7.6509 8.1580 8.1580 8.3518 8.3518 8.4114 8.4114 8.4898 8.4898 8.5451 8.5451 8.9055 8.9055 8.9988 8.9988 10.1312 10.1312 10.3853 10.3853 10.4074 10.4074 10.4426 10.4426 10.8012 10.8012 10.8490 10.8490 10.9149 10.9149 k = 0.4048 0.4536-0.0000 ( 7604 PWs) bands (ev): -3.3360 -3.3360 -3.2122 -3.2122 3.3363 3.3363 3.9733 3.9733 4.5167 4.5167 5.3111 5.3111 6.1754 6.1754 7.2062 7.2062 7.3400 7.3400 7.4577 7.4577 7.5980 7.5980 7.6411 7.6411 8.1760 8.1760 8.3428 8.3428 8.4012 8.4012 8.4924 8.4924 8.5414 8.5414 8.9117 8.9117 8.9989 8.9989 10.1578 10.1578 10.3870 10.3870 10.4110 10.4110 10.4394 10.4394 10.7576 10.7576 10.8081 10.8081 10.8883 10.8883 k = 0.3929 0.4743-0.0000 ( 7618 PWs) bands (ev): -3.3276 -3.3276 -3.2206 -3.2206 3.3181 3.3181 4.0103 4.0103 4.4868 4.4868 5.3282 5.3282 6.1653 6.1653 7.2216 7.2216 7.3490 7.3490 7.4447 7.4447 7.6022 7.6022 7.6326 7.6326 8.1945 8.1945 8.3348 8.3348 8.3898 8.3898 8.4948 8.4948 8.5379 8.5379 8.9181 8.9181 8.9981 8.9981 10.1856 10.1856 10.3892 10.3892 10.4141 10.4141 10.4377 10.4377 10.7171 10.7171 10.7699 10.7699 10.8634 10.8634 k = 0.3810 0.4949-0.0000 ( 7608 PWs) bands (ev): -3.3184 -3.3184 -3.2298 -3.2298 3.3031 3.3031 4.0437 4.0437 4.4593 4.4593 5.3426 5.3426 6.1565 6.1565 7.2384 7.2384 7.3548 7.3548 7.4325 7.4325 7.6051 7.6051 7.6260 7.6260 8.2129 8.2129 8.3283 8.3283 8.3775 8.3775 8.4968 8.4968 8.5348 8.5348 8.9241 8.9241 8.9966 8.9966 10.2132 10.2132 10.3916 10.3916 10.4166 10.4166 10.4375 10.4375 10.6809 10.6809 10.7354 10.7354 10.8411 10.8411 k = 0.3690 0.5155-0.0000 ( 7604 PWs) bands (ev): -3.3084 -3.3084 -3.2398 -3.2398 3.2913 3.2913 4.0721 4.0721 4.4356 4.4356 5.3541 5.3541 6.1493 6.1493 7.2565 7.2565 7.3551 7.3551 7.4230 7.4230 7.6061 7.6061 7.6218 7.6218 8.2307 8.2307 8.3236 8.3236 8.3647 8.3647 8.4982 8.4982 8.5323 8.5323 8.9294 8.9294 8.9946 8.9946 10.2388 10.2388 10.3942 10.3942 10.4183 10.4183 10.4385 10.4385 10.6508 10.6508 10.7053 10.7053 10.8225 10.8225 k = 0.3571 0.5361-0.0000 ( 7596 PWs) bands (ev): -3.2976 -3.2976 -3.2505 -3.2505 3.2828 3.2828 4.0938 4.0938 4.4173 4.4173 5.3624 5.3624 6.1440 6.1440 7.2756 7.2756 7.3481 7.3481 7.4178 7.4178 7.6056 7.6056 7.6197 7.6197 8.2466 8.2466 8.3209 8.3209 8.3522 8.3522 8.4991 8.4991 8.5306 8.5306 8.9335 8.9335 8.9927 8.9927 10.2599 10.2599 10.3966 10.3966 10.4194 10.4194 10.4401 10.4401 10.6289 10.6289 10.6806 10.6806 10.8085 10.8085 k = 0.3452 0.5567-0.0000 ( 7582 PWs) bands (ev): -3.2862 -3.2862 -3.2620 -3.2620 3.2777 3.2777 4.1073 4.1073 4.4058 4.4058 5.3673 5.3673 6.1408 6.1408 7.2953 7.2953 7.3347 7.3347 7.4160 7.4160 7.6048 7.6048 7.6189 7.6189 8.2586 8.2586 8.3199 8.3199 8.3419 8.3419 8.4995 8.4995 8.5297 8.5297 8.9360 8.9360 8.9913 8.9913 10.2736 10.2736 10.3983 10.3983 10.4200 10.4200 10.4413 10.4413 10.6173 10.6173 10.6625 10.6625 10.7998 10.7998 k = 0.3333 0.5774-0.0000 ( 7590 PWs) bands (ev): -3.2741 -3.2741 -3.2740 -3.2740 3.2760 3.2760 4.1117 4.1117 4.4020 4.4020 5.3690 5.3690 6.1397 6.1397 7.3108 7.3108 7.3210 7.3210 7.4157 7.4157 7.6045 7.6045 7.6186 7.6186 8.2633 8.2633 8.3198 8.3198 8.3376 8.3376 8.4996 8.4996 8.5294 8.5294 8.9368 8.9368 8.9908 8.9908 10.2783 10.2783 10.3990 10.3990 10.4202 10.4202 10.4417 10.4417 10.6148 10.6148 10.6550 10.6550 10.7968 10.7968 k = 0.3333 0.5774-0.0000 ( 7590 PWs) bands (ev): -3.2741 -3.2741 -3.2740 -3.2740 3.2760 3.2760 4.1117 4.1117 4.4020 4.4020 5.3690 5.3690 6.1397 6.1397 7.3108 7.3108 7.3210 7.3210 7.4157 7.4157 7.6045 7.6045 7.6186 7.6186 8.2633 8.2633 8.3198 8.3198 8.3376 8.3376 8.4996 8.4996 8.5294 8.5294 8.9368 8.9368 8.9908 8.9908 10.2783 10.2783 10.3990 10.3990 10.4202 10.4202 10.4417 10.4417 10.6148 10.6148 10.6550 10.6550 10.7968 10.7968 k = 0.3214 0.5567-0.0000 ( 7592 PWs) bands (ev): -3.2868 -3.2868 -3.2614 -3.2614 3.2777 3.2777 4.1077 4.1077 4.4054 4.4054 5.3674 5.3674 6.1407 6.1407 7.2945 7.2945 7.3352 7.3352 7.4162 7.4162 7.6047 7.6047 7.6191 7.6191 8.2585 8.2585 8.3199 8.3199 8.3416 8.3416 8.4996 8.4996 8.5296 8.5296 8.9362 8.9362 8.9912 8.9912 10.2741 10.2741 10.3982 10.3982 10.4200 10.4200 10.4418 10.4418 10.6147 10.6147 10.6646 10.6646 10.7997 10.7997 k = 0.3095 0.5361-0.0000 ( 7592 PWs) bands (ev): -3.2999 -3.2999 -3.2482 -3.2482 3.2827 3.2827 4.0970 4.0970 4.4141 4.4141 5.3628 5.3628 6.1436 6.1436 7.2724 7.2724 7.3494 7.3494 7.4193 7.4193 7.6047 7.6047 7.6208 7.6208 8.2466 8.2466 8.3206 8.3206 8.3504 8.3504 8.4998 8.4998 8.5302 8.5302 8.9351 8.9351 8.9922 8.9922 10.2628 10.2628 10.3956 10.3956 10.4187 10.4187 10.4434 10.4434 10.6146 10.6146 10.6910 10.6910 10.8083 10.8083 k = 0.2976 0.5155-0.0000 ( 7602 PWs) bands (ev): -3.3136 -3.3136 -3.2346 -3.2346 3.2910 3.2910 4.0817 4.0817 4.4262 4.4262 5.3554 5.3554 6.1481 6.1481 7.2490 7.2490 7.3556 7.3556 7.4287 7.4287 7.6041 7.6041 7.6242 7.6242 8.2308 8.2308 8.3213 8.3213 8.3602 8.3602 8.5002 8.5002 8.5311 8.5311 8.9343 8.9343 8.9937 8.9937 10.2469 10.2469 10.3915 10.3915 10.4158 10.4158 10.4486 10.4486 10.6172 10.6172 10.7275 10.7275 10.8222 10.8222 k = 0.2857 0.4949-0.0000 ( 7610 PWs) bands (ev): -3.3275 -3.3275 -3.2206 -3.2206 3.3025 3.3025 4.0638 4.0638 4.4400 4.4400 5.3455 5.3455 6.1535 6.1535 7.2247 7.2247 7.3523 7.3523 7.4456 7.4456 7.6028 7.6028 7.6290 7.6290 8.2132 8.2132 8.3212 8.3212 8.3687 8.3687 8.5010 8.5010 8.5322 8.5322 8.9347 8.9347 8.9956 8.9956 10.2288 10.2288 10.3863 10.3863 10.4119 10.4119 10.4585 10.4585 10.6235 10.6235 10.7682 10.7682 10.8420 10.8420 k = 0.2738 0.4743-0.0000 ( 7606 PWs) bands (ev): -3.3418 -3.3418 -3.2063 -3.2063 3.3169 3.3169 4.0446 4.0446 4.4543 4.4543 5.3336 5.3336 6.1594 6.1594 7.2000 7.2000 7.3426 7.3426 7.4671 7.4671 7.6008 7.6008 7.6348 7.6348 8.1949 8.1949 8.3198 8.3198 8.3744 8.3744 8.5023 8.5023 8.5335 8.5335 8.9370 8.9370 8.9982 8.9982 10.2100 10.2100 10.3806 10.3806 10.4078 10.4078 10.4733 10.4733 10.6334 10.6334 10.8068 10.8068 10.8698 10.8698 k = 0.2619 0.4536-0.0000 ( 7612 PWs) bands (ev): -3.3563 -3.3563 -3.1918 -3.1918 3.3341 3.3341 4.0250 4.0250 4.4685 4.4685 5.3199 5.3199 6.1650 6.1650 7.1751 7.1751 7.3293 7.3293 7.4906 7.4906 7.5985 7.5985 7.6410 7.6410 8.1764 8.1764 8.3165 8.3165 8.3764 8.3764 8.5039 8.5039 8.5350 8.5350 8.9419 8.9419 9.0023 9.0023 10.1916 10.1916 10.3746 10.3746 10.4044 10.4044 10.4931 10.4931 10.6462 10.6462 10.8372 10.8372 10.9085 10.9085 k = 0.2500 0.4330-0.0000 ( 7618 PWs) bands (ev): -3.3708 -3.3708 -3.1771 -3.1771 3.3539 3.3539 4.0057 4.0057 4.4825 4.4825 5.3049 5.3049 6.1695 6.1695 7.1501 7.1501 7.3140 7.3140 7.5143 7.5143 7.5963 7.5963 7.6472 7.6472 8.1583 8.1583 8.3110 8.3110 8.3740 8.3740 8.5058 8.5058 8.5368 8.5368 8.9496 8.9496 9.0085 9.0085 10.1746 10.1746 10.3686 10.3686 10.4024 10.4024 10.5179 10.5179 10.6615 10.6615 10.8593 10.8593 10.9535 10.9535 k = 0.2381 0.4124-0.0000 ( 7615 PWs) bands (ev): -3.3855 -3.3855 -3.1624 -3.1624 3.3759 3.3759 3.9872 3.9872 4.4960 4.4960 5.2889 5.2889 6.1720 6.1720 7.1252 7.1252 7.2977 7.2977 7.5356 7.5356 7.5959 7.5959 7.6532 7.6532 8.1406 8.1406 8.3031 8.3031 8.3667 8.3667 8.5079 8.5079 8.5389 8.5389 8.9606 8.9606 9.0175 9.0175 10.1595 10.1595 10.3627 10.3627 10.4023 10.4023 10.5476 10.5476 10.6786 10.6786 10.8755 10.8755 10.9865 10.9865 k = 0.2262 0.3918-0.0000 ( 7615 PWs) bands (ev): -3.4000 -3.4000 -3.1477 -3.1477 3.3999 3.3999 3.9697 3.9697 4.5094 4.5094 5.2724 5.2724 6.1717 6.1717 7.1007 7.1007 7.2814 7.2814 7.5497 7.5497 7.6014 7.6014 7.6587 7.6587 8.1238 8.1238 8.2928 8.2928 8.3545 8.3545 8.5102 8.5102 8.5413 8.5413 8.9750 8.9750 9.0299 9.0299 10.1467 10.1467 10.3570 10.3570 10.4045 10.4045 10.5819 10.5819 10.6970 10.6970 10.8867 10.8867 10.9914 10.9914 k = 0.2143 0.3712-0.0000 ( 7609 PWs) bands (ev): -3.4145 -3.4145 -3.1331 -3.1331 3.4253 3.4253 3.9536 3.9536 4.5229 4.5229 5.2557 5.2557 6.1678 6.1678 7.0765 7.0765 7.2654 7.2654 7.5526 7.5526 7.6157 7.6157 7.6644 7.6644 8.1079 8.1079 8.2802 8.2802 8.3379 8.3379 8.5125 8.5125 8.5441 8.5441 8.9926 8.9926 9.0459 9.0459 10.1365 10.1365 10.3516 10.3516 10.4090 10.4090 10.6203 10.6203 10.7162 10.7162 10.8935 10.8935 10.9891 10.9891 k = 0.2024 0.3505-0.0000 ( 7613 PWs) bands (ev): -3.4287 -3.4287 -3.1186 -3.1186 3.4517 3.4517 3.9390 3.9390 4.5368 4.5368 5.2392 5.2392 6.1596 6.1596 7.0529 7.0529 7.2503 7.2503 7.5483 7.5483 7.6323 7.6323 7.6722 7.6722 8.0930 8.0930 8.2656 8.2656 8.3175 8.3175 8.5149 8.5149 8.5472 8.5472 9.0133 9.0133 9.0658 9.0658 10.1292 10.1292 10.3466 10.3466 10.4155 10.4155 10.6620 10.6620 10.7357 10.7357 10.8962 10.8962 10.9851 10.9851 k = 0.1905 0.3299-0.0000 ( 7605 PWs) bands (ev): -3.4426 -3.4426 -3.1045 -3.1045 3.4787 3.4787 3.9262 3.9262 4.5514 4.5514 5.2232 5.2232 6.1466 6.1466 7.0300 7.0300 7.2362 7.2362 7.5406 7.5406 7.6424 7.6424 7.6868 7.6868 8.0792 8.0792 8.2490 8.2490 8.2945 8.2945 8.5173 8.5173 8.5506 8.5506 9.0370 9.0370 9.0892 9.0892 10.1249 10.1249 10.3422 10.3422 10.4240 10.4240 10.7063 10.7063 10.7550 10.7550 10.8958 10.8958 10.9800 10.9800 k = 0.1786 0.3093-0.0000 ( 7613 PWs) bands (ev): -3.4561 -3.4561 -3.0907 -3.0907 3.5054 3.5054 3.9154 3.9154 4.5673 4.5673 5.2080 5.2080 6.1283 6.1283 7.0079 7.0079 7.2232 7.2232 7.5313 7.5313 7.6439 7.6439 7.7083 7.7083 8.0666 8.0666 8.2310 8.2310 8.2700 8.2700 8.5196 8.5196 8.5541 8.5541 9.0635 9.0635 9.1160 9.1160 10.1240 10.1240 10.3383 10.3383 10.4339 10.4339 10.7520 10.7520 10.7741 10.7741 10.8932 10.8932 10.9741 10.9741 k = 0.1667 0.2887-0.0000 ( 7619 PWs) bands (ev): -3.4692 -3.4692 -3.0774 -3.0774 3.5314 3.5314 3.9068 3.9068 4.5847 4.5847 5.1940 5.1940 6.1047 6.1047 6.9866 6.9866 7.2113 7.2113 7.5213 7.5213 7.6397 7.6397 7.7327 7.7327 8.0550 8.0550 8.2116 8.2116 8.2455 8.2455 8.5219 8.5219 8.5576 8.5576 9.0926 9.0926 9.1456 9.1456 10.1263 10.1263 10.3350 10.3350 10.4448 10.4448 10.7904 10.7904 10.8000 10.8000 10.8894 10.8894 10.9675 10.9675 k = 0.1548 0.2681-0.0000 ( 7615 PWs) bands (ev): -3.4817 -3.4817 -3.0645 -3.0645 3.5558 3.5558 3.9005 3.9005 4.6040 4.6040 5.1813 5.1813 6.0756 6.0756 6.9664 6.9664 7.2004 7.2004 7.5111 7.5111 7.6316 7.6316 7.7578 7.7578 8.0445 8.0445 8.1916 8.1916 8.2217 8.2217 8.5241 8.5241 8.5608 8.5608 9.1241 9.1241 9.1776 9.1776 10.1321 10.1321 10.3322 10.3322 10.4563 10.4563 10.8080 10.8080 10.8433 10.8433 10.8864 10.8864 10.9602 10.9603 k = 0.1429 0.2474-0.0000 ( 7627 PWs) bands (ev): -3.4937 -3.4937 -3.0523 -3.0523 3.5780 3.5780 3.8967 3.8967 4.6255 4.6255 5.1702 5.1702 6.0412 6.0412 6.9472 6.9472 7.1901 7.1901 7.5012 7.5012 7.6201 7.6201 7.7827 7.7827 8.0349 8.0349 8.1716 8.1716 8.1994 8.1994 8.5263 8.5263 8.5636 8.5636 9.1578 9.1578 9.2114 9.2114 10.1411 10.1411 10.3301 10.3301 10.4678 10.4678 10.8231 10.8231 10.8695 10.8695 10.8978 10.8978 10.9532 10.9543 k = 0.1310 0.2268-0.0000 ( 7615 PWs) bands (ev): -3.5049 -3.5049 -3.0407 -3.0407 3.5974 3.5974 3.8956 3.8956 4.6495 4.6495 5.1611 5.1611 6.0018 6.0018 6.9291 6.9291 7.1805 7.1805 7.4918 7.4918 7.6058 7.6058 7.8071 7.8071 8.0261 8.0261 8.1525 8.1525 8.1786 8.1786 8.5283 8.5283 8.5660 8.5660 9.1933 9.1933 9.2463 9.2463 10.1533 10.1533 10.3284 10.3284 10.4787 10.4787 10.8358 10.8358 10.8680 10.8680 10.9184 10.9194 10.9431 10.9601 k = 0.1190 0.2062-0.0000 ( 7613 PWs) bands (ev): -3.5154 -3.5154 -3.0299 -3.0299 3.6137 3.6137 3.8970 3.8970 4.6759 4.6759 5.1542 5.1542 5.9579 5.9579 6.9123 6.9123 7.1712 7.1712 7.4833 7.4833 7.5892 7.5892 7.8304 7.8304 8.0180 8.0180 8.1352 8.1352 8.1594 8.1594 8.5302 8.5302 8.5678 8.5678 9.2303 9.2303 9.2817 9.2817 10.1685 10.1685 10.3273 10.3273 10.4888 10.4888 10.8436 10.8436 10.8608 10.8608 10.8976 10.8976 10.9313 10.9313 k = 0.1071 0.1856-0.0000 ( 7611 PWs) bands (ev): -3.5251 -3.5251 -3.0199 -3.0199 3.6267 3.6267 3.9006 3.9006 4.7046 4.7046 5.1498 5.1498 5.9100 5.9100 6.8969 6.8969 7.1623 7.1623 7.4757 7.4757 7.5709 7.5709 7.8525 7.8525 8.0104 8.0104 8.1201 8.1201 8.1418 8.1418 8.5319 8.5319 8.5690 8.5690 9.2682 9.2682 9.3171 9.3171 10.1862 10.1862 10.3266 10.3266 10.4975 10.4975 10.8335 10.8335 10.8550 10.8550 10.8832 10.8832 10.9206 10.9206 k = 0.0952 0.1650-0.0000 ( 7621 PWs) bands (ev): -3.5339 -3.5339 -3.0107 -3.0107 3.6365 3.6365 3.9060 3.9060 4.7352 4.7352 5.1483 5.1483 5.8587 5.8587 6.8828 6.8828 7.1538 7.1538 7.4692 7.4692 7.5516 7.5516 7.8730 7.8730 8.0033 8.0033 8.1074 8.1074 8.1259 8.1259 8.5333 8.5333 8.5697 8.5697 9.3062 9.3062 9.3519 9.3519 10.2060 10.2060 10.3262 10.3262 10.5049 10.5049 10.8083 10.8083 10.8515 10.8515 10.8834 10.8834 10.9091 10.9091 k = 0.0833 0.1443-0.0000 ( 7625 PWs) bands (ev): -3.5418 -3.5418 -3.0025 -3.0025 3.6437 3.6437 3.9124 3.9124 4.7668 4.7668 5.1505 5.1505 5.8047 5.8047 6.8702 6.8702 7.1457 7.1457 7.4637 7.4637 7.5323 7.5323 7.8917 7.8917 7.9966 7.9966 8.0969 8.0969 8.1121 8.1121 8.5344 8.5344 8.5700 8.5700 9.3435 9.3435 9.3853 9.3853 10.2271 10.2271 10.3262 10.3262 10.5106 10.5106 10.7841 10.7841 10.8459 10.8459 10.8872 10.8872 10.8973 10.8973 k = 0.0714 0.1237-0.0000 ( 7621 PWs) bands (ev): -3.5488 -3.5488 -2.9953 -2.9953 3.6486 3.6486 3.9192 3.9192 4.7983 4.7983 5.1569 5.1569 5.7488 5.7488 6.8592 6.8592 7.1382 7.1382 7.4592 7.4592 7.5137 7.5137 7.9083 7.9083 7.9904 7.9904 8.0881 8.0881 8.1008 8.1008 8.5352 8.5352 8.5699 8.5699 9.3791 9.3791 9.4168 9.4168 10.2487 10.2487 10.3263 10.3263 10.5148 10.5148 10.7649 10.7649 10.8393 10.8393 10.8818 10.8818 10.8943 10.8943 k = 0.0595 0.1031-0.0000 ( 7621 PWs) bands (ev): -3.5547 -3.5547 -2.9891 -2.9891 3.6519 3.6519 3.9258 3.9258 4.8281 4.8281 5.1685 5.1685 5.6920 5.6920 6.8498 6.8498 7.1314 7.1314 7.4555 7.4555 7.4967 7.4967 7.9227 7.9227 7.9846 7.9846 8.0802 8.0802 8.0925 8.0925 8.5357 8.5357 8.5696 8.5696 9.4117 9.4117 9.4456 9.4456 10.2696 10.2696 10.3266 10.3266 10.5177 10.5177 10.7520 10.7520 10.8327 10.8327 10.8688 10.8688 10.8979 10.8979 k = 0.0476 0.0825-0.0000 ( 7627 PWs) bands (ev): -3.5596 -3.5596 -2.9839 -2.9839 3.6539 3.6539 3.9318 3.9318 4.8546 4.8546 5.1857 5.1857 5.6356 5.6356 6.8420 6.8420 7.1256 7.1256 7.4525 7.4525 7.4820 7.4820 7.9348 7.9348 7.9794 7.9794 8.0731 8.0731 8.0872 8.0872 8.5358 8.5358 8.5693 8.5693 9.4402 9.4402 9.4712 9.4712 10.2886 10.2886 10.3270 10.3270 10.5193 10.5193 10.7456 10.7456 10.8269 10.8269 10.8557 10.8557 10.9009 10.9009 k = 0.0357 0.0619-0.0000 ( 7635 PWs) bands (ev): -3.5635 -3.5635 -2.9799 -2.9799 3.6551 3.6551 3.9367 3.9367 4.8761 4.8761 5.2082 5.2082 5.5816 5.5816 6.8359 6.8359 7.1208 7.1208 7.4497 7.4497 7.4705 7.4705 7.9444 7.9444 7.9748 7.9748 8.0671 8.0671 8.0841 8.0841 8.5357 8.5357 8.5689 8.5689 9.4634 9.4634 9.4926 9.4926 10.3046 10.3046 10.3273 10.3273 10.5201 10.5201 10.7455 10.7455 10.8231 10.8231 10.8438 10.8438 10.9029 10.9029 k = 0.0238 0.0412-0.0000 ( 7655 PWs) bands (ev): -3.5663 -3.5663 -2.9770 -2.9770 3.6558 3.6558 3.9403 3.9403 4.8917 4.8917 5.2339 5.2339 5.5333 5.5333 6.8315 6.8315 7.1174 7.1174 7.4471 7.4471 7.4627 7.4627 7.9518 7.9518 7.9708 7.9708 8.0627 8.0627 8.0824 8.0824 8.5355 8.5355 8.5687 8.5687 9.4804 9.4804 9.5089 9.5089 10.3167 10.3167 10.3276 10.3276 10.5204 10.5204 10.7498 10.7498 10.8229 10.8229 10.8341 10.8341 10.9034 10.9034 k = 0.0119 0.0206-0.0000 ( 7651 PWs) bands (ev): -3.5679 -3.5679 -2.9753 -2.9753 3.6561 3.6561 3.9426 3.9426 4.9011 4.9011 5.2569 5.2569 5.4967 5.4967 6.8289 6.8289 7.1152 7.1152 7.4448 7.4448 7.4587 7.4587 7.9571 7.9571 7.9675 7.9675 8.0600 8.0600 8.0817 8.0817 8.5353 8.5353 8.5685 8.5685 9.4908 9.4908 9.5192 9.5192 10.3241 10.3241 10.3279 10.3279 10.5204 10.5204 10.7551 10.7551 10.8264 10.8264 10.8279 10.8279 10.9000 10.9001 k = 0.0000 0.0000 0.0000 ( 7647 PWs) bands (ev): -3.5685 -3.5685 -2.9747 -2.9747 3.6562 3.6562 3.9433 3.9433 4.9042 4.9042 5.2668 5.2668 5.4823 5.4823 6.8280 6.8280 7.1145 7.1145 7.4438 7.4438 7.4575 7.4575 7.9595 7.9595 7.9658 7.9658 8.0591 8.0591 8.0814 8.0814 8.5353 8.5353 8.5685 8.5685 9.4943 9.4943 9.5228 9.5228 10.3265 10.3265 10.3281 10.3281 10.5204 10.5204 10.7575 10.7575 10.8254 10.8254 10.8299 10.8299 10.8946 10.8950 k = 0.0000 0.0000 0.0000 ( 7647 PWs) bands (ev): -3.5685 -3.5685 -2.9747 -2.9747 3.6562 3.6562 3.9433 3.9433 4.9042 4.9042 5.2668 5.2668 5.4823 5.4823 6.8280 6.8280 7.1145 7.1145 7.4438 7.4438 7.4575 7.4575 7.9595 7.9595 7.9658 7.9658 8.0591 8.0591 8.0814 8.0814 8.5353 8.5353 8.5685 8.5685 9.4943 9.4943 9.5228 9.5228 10.3265 10.3265 10.3281 10.3281 10.5204 10.5204 10.7575 10.7575 10.8254 10.8254 10.8299 10.8299 10.8946 10.8949 k = 0.0000 0.0000 0.0243 ( 7653 PWs) bands (ev): -3.5674 -3.5674 -2.9741 -2.9741 3.6575 3.6575 3.9443 3.9453 4.9039 4.9039 5.2663 5.2670 5.4840 5.4840 6.8237 6.8237 7.1116 7.1116 7.4453 7.4453 7.4587 7.4592 7.9174 7.9174 8.0016 8.0016 8.0586 8.0599 8.0843 8.0843 8.5353 8.5353 8.5680 8.5689 9.4926 9.4926 9.5189 9.5230 10.3209 10.3265 10.3265 10.3283 10.5218 10.5218 10.7504 10.7504 10.8038 10.8159 10.8159 10.8170 10.9117 10.9158 k = 0.0000 0.0000 0.0486 ( 7659 PWs) bands (ev): -3.5640 -3.5640 -2.9725 -2.9725 3.6616 3.6616 3.9481 3.9501 4.9030 4.9030 5.2656 5.2669 5.4891 5.4891 6.8108 6.8108 7.1027 7.1027 7.4497 7.4497 7.4629 7.4639 7.8684 7.8684 8.0307 8.0307 8.0585 8.0611 8.0949 8.0949 8.5356 8.5356 8.5676 8.5695 9.4876 9.4876 9.5116 9.5197 10.3116 10.3216 10.3216 10.3263 10.5255 10.5255 10.7291 10.7291 10.7704 10.7852 10.7940 10.7940 10.9428 10.9430 k = 0.0000 0.0000 0.0729 ( 7659 PWs) bands (ev): -3.5583 -3.5583 -2.9697 -2.9697 3.6683 3.6683 3.9548 3.9577 4.9014 4.9014 5.2646 5.2666 5.4977 5.4977 6.7896 6.7896 7.0864 7.0864 7.4570 7.4570 7.4700 7.4714 7.8174 7.8174 8.0473 8.0473 8.0586 8.0625 8.1158 8.1158 8.5361 8.5361 8.5673 8.5701 9.4793 9.4793 9.5010 9.5129 10.2988 10.3135 10.3135 10.3201 10.5302 10.5302 10.6970 10.6970 10.7336 10.7465 10.7745 10.7745 10.9689 10.9739 k = 0.0000 0.0000 0.0972 ( 7635 PWs) bands (ev): -3.5505 -3.5505 -2.9659 -2.9659 3.6777 3.6777 3.9644 3.9682 4.8993 4.8993 5.2633 5.2660 5.5096 5.5096 6.7602 6.7602 7.0611 7.0611 7.4672 7.4672 7.4799 7.4818 7.7672 7.7672 8.0553 8.0553 8.0590 8.0643 8.1433 8.1433 8.5369 8.5369 8.5671 8.5710 9.4680 9.4680 9.4874 9.5028 10.2824 10.3018 10.3018 10.3097 10.5338 10.5338 10.6601 10.6601 10.6958 10.7063 10.7555 10.7555 10.9930 11.0020 k = 0.0000 0.0000 0.1215 ( 7623 PWs) bands (ev): -3.5404 -3.5404 -2.9610 -2.9610 3.6897 3.6897 3.9767 3.9815 4.8966 4.8966 5.2618 5.2651 5.5248 5.5248 6.7230 6.7230 7.0242 7.0242 7.4801 7.4801 7.4927 7.4950 7.7209 7.7209 8.0596 8.0600 8.0600 8.0663 8.1727 8.1727 8.5380 8.5380 8.5671 8.5720 9.4539 9.4539 9.4710 9.4896 10.2624 10.2864 10.2864 10.2948 10.5340 10.5340 10.6217 10.6217 10.6579 10.6660 10.7358 10.7358 11.0147 11.0205 k = 0.0000 0.0000 0.1458 ( 7635 PWs) bands (ev): -3.5281 -3.5281 -2.9550 -2.9550 3.7043 3.7043 3.9918 3.9976 4.8932 4.8932 5.2599 5.2639 5.5433 5.5433 6.6785 6.6785 6.9737 6.9737 7.4956 7.4956 7.5081 7.5109 7.6817 7.6817 8.0605 8.0635 8.0635 8.0686 8.2024 8.2024 8.5396 8.5396 8.5673 8.5733 9.4373 9.4373 9.4521 9.4736 10.2389 10.2671 10.2671 10.2754 10.5281 10.5281 10.5833 10.5833 10.6202 10.6266 10.7155 10.7155 11.0317 11.0345 k = 0.0000 0.0000 0.1700 ( 7629 PWs) bands (ev): -3.5136 -3.5136 -2.9480 -2.9480 3.7214 3.7214 4.0095 4.0164 4.8891 4.8891 5.2578 5.2625 5.5649 5.5649 6.6272 6.6272 6.9084 6.9084 7.5134 7.5134 7.5262 7.5295 7.6521 7.6521 8.0615 8.0665 8.0665 8.0710 8.2319 8.2319 8.5417 8.5417 8.5679 8.5750 9.4185 9.4185 9.4313 9.4551 10.2120 10.2440 10.2440 10.2516 10.5143 10.5143 10.5457 10.5457 10.5829 10.5881 10.6952 10.6952 11.0428 11.0537 k = 0.0000 0.0000 0.1943 ( 7635 PWs) bands (ev): -3.4970 -3.4970 -2.9400 -2.9400 3.7410 3.7410 4.0299 4.0378 4.8844 4.8844 5.2553 5.2607 5.5897 5.5897 6.5696 6.5696 6.8282 6.8282 7.5333 7.5333 7.5468 7.5504 7.6331 7.6331 8.0626 8.0692 8.0692 8.0736 8.2612 8.2612 8.5444 8.5444 8.5689 8.5772 9.3979 9.3979 9.4088 9.4347 10.1818 10.2169 10.2169 10.2234 10.4920 10.4920 10.5094 10.5094 10.5460 10.5509 10.6749 10.6749 11.0550 11.0729 k = 0.0000 0.0000 0.2186 ( 7635 PWs) bands (ev): -3.4783 -3.4783 -2.9310 -2.9310 3.7629 3.7629 4.0529 4.0618 4.8789 4.8789 5.2525 5.2586 5.6173 5.6173 6.5063 6.5063 6.7349 6.7349 7.5544 7.5544 7.5698 7.5737 7.6249 7.6249 8.0637 8.0718 8.0718 8.0762 8.2903 8.2903 8.5480 8.5480 8.5706 8.5800 9.3758 9.3758 9.3850 9.4127 10.1484 10.1861 10.1861 10.1912 10.4623 10.4623 10.4736 10.4736 10.5096 10.5150 10.6542 10.6542 11.0690 11.0892 k = 0.0000 0.0000 0.2429 ( 7623 PWs) bands (ev): -3.4576 -3.4576 -2.9210 -2.9210 3.7871 3.7871 4.0783 4.0882 4.8728 4.8728 5.2494 5.2563 5.6475 5.6475 6.4379 6.4379 6.6308 6.6308 7.5758 7.5758 7.5950 7.5992 7.6272 7.6272 8.0647 8.0741 8.0741 8.0787 8.3192 8.3192 8.5525 8.5525 8.5731 8.5837 9.3528 9.3528 9.3604 9.3895 10.1122 10.1518 10.1518 10.1552 10.4283 10.4283 10.4368 10.4368 10.4740 10.4804 10.6328 10.6328 11.0850 11.0950 k = 0.0000 0.0000 0.2672 ( 7623 PWs) bands (ev): -3.4348 -3.4348 -2.9101 -2.9101 3.8134 3.8134 4.1061 4.1171 4.8659 4.8659 5.2460 5.2537 5.6799 5.6799 6.3649 6.3649 6.5185 6.5185 7.5961 7.5961 7.6221 7.6266 7.6399 7.6399 8.0655 8.0761 8.0761 8.0810 8.3478 8.3478 8.5581 8.5581 8.5764 8.5882 9.3293 9.3293 9.3356 9.3658 10.0733 10.1144 10.1144 10.1161 10.3892 10.3892 10.4011 10.4011 10.4393 10.4473 10.6111 10.6111 11.0770 11.0772 k = 0.0000 0.0000 0.2915 ( 7617 PWs) bands (ev): -3.4101 -3.4101 -2.8983 -2.8983 3.8418 3.8418 4.1361 4.1481 4.8581 4.8581 5.2423 5.2508 5.7138 5.7138 6.2881 6.2881 6.4010 6.4010 7.6153 7.6153 7.6510 7.6557 7.6611 7.6611 8.0660 8.0777 8.0777 8.0829 8.3757 8.3757 8.5648 8.5648 8.5807 8.5937 9.3058 9.3058 9.3109 9.3419 10.0321 10.0741 10.0742 10.0742 10.3440 10.3440 10.3681 10.3681 10.4055 10.4156 10.5899 10.5899 11.0446 11.0446 k = 0.0000 0.0000 0.3158 ( 7623 PWs) bands (ev): -3.3835 -3.3835 -2.8857 -2.8857 3.8720 3.8720 4.1682 4.1813 4.8495 4.8495 5.2383 5.2478 5.7475 5.7475 6.2077 6.2077 6.2819 6.2819 7.6354 7.6354 7.6813 7.6862 7.6879 7.6879 8.0660 8.0785 8.0785 8.0842 8.4026 8.4026 8.5727 8.5727 8.5862 8.6003 9.2829 9.2829 9.2869 9.3186 9.9889 10.0299 10.0318 10.0318 10.2948 10.2948 10.3368 10.3368 10.3729 10.3853 10.5704 10.5704 11.0085 11.0085 k = 0.0000 0.0000 0.3401 ( 7635 PWs) bands (ev): -3.3551 -3.3551 -2.8722 -2.8722 3.9039 3.9039 4.2022 4.2165 4.8399 4.8399 5.2342 5.2446 5.7767 5.7767 6.1239 6.1239 6.1675 6.1675 7.6575 7.6575 7.7129 7.7178 7.7178 7.7178 8.0654 8.0785 8.0785 8.0847 8.4283 8.4283 8.5818 8.5818 8.5927 8.6079 9.2612 9.2612 9.2643 9.2963 9.9441 9.9840 9.9877 9.9877 10.2424 10.2424 10.3068 10.3068 10.3416 10.3563 10.5539 10.5539 10.9707 10.9707 k = 0.0000 0.0000 0.3644 ( 7623 PWs) bands (ev): -3.3249 -3.3249 -2.8580 -2.8580 3.9373 3.9373 4.2380 4.2535 4.8292 4.8292 5.2300 5.2414 5.7887 5.7887 6.0376 6.0376 6.0716 6.0716 7.6821 7.6821 7.7454 7.7495 7.7495 7.7503 8.0639 8.0775 8.0775 8.0842 8.4522 8.4522 8.5919 8.5919 8.6003 8.6167 9.2415 9.2415 9.2437 9.2758 9.8982 9.9370 9.9423 9.9423 10.1876 10.1876 10.2779 10.2779 10.3115 10.3285 10.5416 10.5416 10.9316 10.9316 k = 0.0000 0.0000 0.3887 ( 7605 PWs) bands (ev): -3.2931 -3.2931 -2.8432 -2.8432 3.9720 3.9720 4.2753 4.2921 4.8171 4.8171 5.2257 5.2382 5.7541 5.7541 5.9537 5.9537 6.0205 6.0205 7.7091 7.7091 7.7783 7.7821 7.7821 7.7832 8.0615 8.0753 8.0753 8.0826 8.4738 8.4738 8.6030 8.6030 8.6089 8.6264 9.2245 9.2245 9.2259 9.2578 9.8515 9.8894 9.8963 9.8963 10.1309 10.1309 10.2501 10.2501 10.2826 10.3019 10.5345 10.5345 10.8918 10.8918 k = 0.0000 0.0000 0.4130 ( 7569 PWs) bands (ev): -3.2598 -3.2598 -2.8276 -2.8276 4.0076 4.0076 4.3140 4.3320 4.8032 4.8032 5.2216 5.2352 5.6657 5.6657 5.8683 5.8683 6.0273 6.0273 7.7382 7.7382 7.8114 7.8149 7.8149 7.8161 8.0578 8.0718 8.0718 8.0796 8.4929 8.4929 8.6148 8.6148 8.6183 8.6370 9.2113 9.2113 9.2117 9.2431 9.8047 9.8416 9.8501 9.8501 10.0728 10.0728 10.2233 10.2233 10.2549 10.2763 10.5335 10.5335 10.8515 10.8515 k = 0.0000 0.0000 0.4373 ( 7557 PWs) bands (ev): -3.2250 -3.2250 -2.8116 -2.8116 4.0440 4.0440 4.3537 4.3730 4.7867 4.7867 5.2177 5.2325 5.5539 5.5539 5.7814 5.7814 6.0633 6.0633 7.7692 7.7692 7.8441 7.8475 7.8475 7.8486 8.0528 8.0666 8.0666 8.0750 8.5089 8.5089 8.6271 8.6271 8.6283 8.6483 9.2020 9.2025 9.2025 9.2325 9.7579 9.7942 9.8041 9.8041 10.0139 10.0139 10.1974 10.1974 10.2283 10.2517 10.5391 10.5391 10.8108 10.8108 k = 0.0000 0.0000 0.4615 ( 7557 PWs) bands (ev): -3.1888 -3.1888 -2.7950 -2.7950 4.0807 4.0807 4.3941 4.4149 4.7665 4.7665 5.2143 5.2304 5.4375 5.4375 5.6944 5.6944 6.1111 6.1111 7.8018 7.8018 7.8759 7.8793 7.8793 7.8802 8.0462 8.0595 8.0595 8.0685 8.5215 8.5215 8.6386 8.6395 8.6395 8.6600 9.1975 9.1991 9.1991 9.2268 9.7118 9.7475 9.7587 9.7587 9.9547 9.9547 10.1723 10.1723 10.2028 10.2280 10.5517 10.5517 10.7702 10.7702 k = 0.0000 0.0000 0.4858 ( 7563 PWs) bands (ev): -3.1514 -3.1514 -2.7779 -2.7779 4.1172 4.1172 4.4350 4.4572 4.7405 4.7405 5.2117 5.2291 5.3247 5.3247 5.6079 5.6079 6.1649 6.1649 7.8358 7.8358 7.9065 7.9099 7.9099 7.9104 8.0378 8.0505 8.0505 8.0601 8.5307 8.5307 8.6492 8.6522 8.6522 8.6722 9.1989 9.2017 9.2017 9.2266 9.6665 9.7020 9.7143 9.7143 9.8956 9.8956 10.1481 10.1481 10.1783 10.2050 10.5713 10.5713 10.7297 10.7297 k = 0.0000 0.0000 0.5101 ( 7563 PWs) bands (ev): -3.1130 -3.1130 -2.7605 -2.7605 4.1531 4.1531 4.4759 4.4995 4.7057 4.7057 5.2101 5.2213 5.2213 5.2289 5.5224 5.5224 6.2227 6.2227 7.8708 7.8708 7.9354 7.9386 7.9387 7.9387 8.0275 8.0392 8.0392 8.0497 8.5362 8.5362 8.6601 8.6651 8.6651 8.6847 9.2066 9.2108 9.2108 9.2325 9.6225 9.6580 9.6712 9.6712 9.8370 9.8370 10.1246 10.1246 10.1548 10.1829 10.5978 10.5978 10.6896 10.6896 k = 0.0000 0.0000 0.5344 ( 7563 PWs) bands (ev): -3.0736 -3.0736 -2.7429 -2.7429 4.1878 4.1878 4.5163 4.5413 4.6580 4.6580 5.1331 5.1331 5.2099 5.2302 5.4386 5.4386 6.2832 6.2832 7.9065 7.9065 7.9617 7.9640 7.9655 7.9655 8.0153 8.0256 8.0256 8.0375 8.5381 8.5381 8.6714 8.6786 8.6786 8.6978 9.2207 9.2265 9.2265 9.2448 9.5802 9.6160 9.6298 9.6298 9.7792 9.7792 10.1018 10.1018 10.1321 10.1615 10.6306 10.6306 10.6500 10.6500 k = 0.0000 0.0000 0.5587 ( 7557 PWs) bands (ev): -3.0334 -3.0334 -2.7250 -2.7250 4.2205 4.2205 4.5557 4.5822 4.5942 4.5942 5.0647 5.0647 5.2116 5.2333 5.3569 5.3569 6.3460 6.3460 7.9421 7.9421 7.9825 7.9839 7.9901 7.9901 8.0038 8.0098 8.0098 8.0256 8.5366 8.5366 8.6836 8.6931 8.6931 8.7117 9.2409 9.2485 9.2485 9.2634 9.5398 9.5764 9.5904 9.5904 9.7225 9.7225 10.0798 10.0798 10.1103 10.1408 10.6111 10.6111 10.6687 10.6687 k = 0.0000 0.0000 0.5830 ( 7605 PWs) bands (ev): -2.9926 -2.9926 -2.7070 -2.7070 4.2501 4.2501 4.5144 4.5144 4.5936 4.6213 5.0171 5.0171 5.2157 5.2388 5.2781 5.2781 6.4106 6.4106 7.9720 7.9720 7.9776 7.9871 7.9962 7.9962 8.0129 8.0131 8.0131 8.0250 8.5319 8.5319 8.6969 8.7089 8.7089 8.7266 9.2666 9.2763 9.2763 9.2880 9.5016 9.5398 9.5533 9.5533 9.6671 9.6671 10.0584 10.0584 10.0892 10.1207 10.5731 10.5731 10.7107 10.7107 k = 0.0000 0.0000 0.6073 ( 7623 PWs) bands (ev): -2.9513 -2.9513 -2.6890 -2.6890 4.2748 4.2749 4.4235 4.4235 4.6292 4.6580 4.9872 4.9872 5.2029 5.2029 5.2229 5.2470 6.4766 6.4766 7.9582 7.9629 7.9629 7.9708 8.0160 8.0160 8.0310 8.0365 8.0365 8.0386 8.5243 8.5243 8.7117 8.7265 8.7265 8.7428 9.2963 9.3090 9.3090 9.3181 9.4662 9.5072 9.5190 9.5190 9.6132 9.6132 10.0377 10.0377 10.0689 10.1013 10.5361 10.5361 10.7544 10.7544 k = 0.0000 0.0000 0.6316 ( 7618 PWs) bands (ev): -2.9099 -2.9099 -2.6711 -2.6711 4.2815 4.2815 4.3389 4.3389 4.6622 4.6916 4.9699 4.9699 5.1329 5.1329 5.2336 5.2586 6.5437 6.5437 7.9351 7.9389 7.9389 7.9475 8.0389 8.0389 8.0477 8.0538 8.0666 8.0666 8.5143 8.5143 8.7280 8.7458 8.7458 8.7603 9.3274 9.3456 9.3456 9.3527 9.4342 9.4809 9.4880 9.4880 9.5612 9.5612 10.0177 10.0177 10.0494 10.0826 10.5003 10.5003 10.7970 10.7970 k = 0.0000 0.0000 0.6559 ( 7618 PWs) bands (ev): -2.8684 -2.8684 -2.6533 -2.6533 4.2058 4.2058 4.3283 4.3283 4.6918 4.7215 4.9584 4.9584 5.0721 5.0721 5.2483 5.2738 6.6115 6.6115 7.9091 7.9113 7.9113 7.9205 8.0552 8.0552 8.0623 8.0677 8.1020 8.1020 8.5020 8.5020 8.7458 8.7666 8.7666 8.7789 9.3536 9.3830 9.3830 9.3861 9.4109 9.4622 9.4622 9.4669 9.5119 9.5119 9.9984 9.9984 10.0305 10.0645 10.4657 10.4657 10.8344 10.8344 k = 0.0000 0.0000 0.6802 ( 7636 PWs) bands (ev): -2.8271 -2.8271 -2.6359 -2.6359 4.1039 4.1039 4.3377 4.3377 4.7176 4.7470 4.9396 4.9396 5.0317 5.0317 5.2675 5.2928 6.6797 6.6797 7.8806 7.8811 7.8811 7.8907 8.0681 8.0681 8.0751 8.0800 8.1387 8.1387 8.4881 8.4881 8.7645 8.7885 8.7885 8.7981 9.3637 9.3752 9.4080 9.4080 9.4393 9.4458 9.4458 9.4739 9.4739 9.4758 9.9797 9.9797 10.0123 10.0469 10.4325 10.4325 10.8621 10.8621 k = 0.0000 0.0000 0.7045 ( 7636 PWs) bands (ev): -2.7863 -2.7863 -2.6188 -2.6188 4.0011 4.0011 4.3437 4.3437 4.7396 4.7682 4.9011 4.9011 5.0231 5.0231 5.2910 5.3157 6.7480 6.7480 7.8490 7.8490 7.8500 7.8588 8.0790 8.0790 8.0862 8.0908 8.1756 8.1756 8.4728 8.4728 8.7835 8.8107 8.8107 8.8173 9.3549 9.3577 9.4012 9.4012 9.4100 9.4100 9.4841 9.4954 9.4954 9.5074 9.9616 9.9616 9.9947 10.0300 10.4009 10.4009 10.8757 10.8757 k = 0.0000 0.0000 0.7288 ( 7636 PWs) bands (ev): -2.7461 -2.7461 -2.6021 -2.6021 3.9005 3.9005 4.3444 4.3444 4.7577 4.7849 4.8538 4.8538 5.0343 5.0343 5.3187 5.3423 6.8160 6.8160 7.8153 7.8153 7.8176 7.8250 8.0885 8.0885 8.0961 8.1004 8.2120 8.2120 8.4565 8.4565 8.8020 8.8322 8.8322 8.8354 9.3387 9.3469 9.3664 9.3664 9.3877 9.3877 9.5318 9.5395 9.5395 9.5501 9.9441 9.9441 9.9778 10.0136 10.3708 10.3708 10.8665 10.8665 k = 0.0000 0.0000 0.7531 ( 7630 PWs) bands (ev): -2.7070 -2.7070 -2.5861 -2.5861 3.8034 3.8034 4.3396 4.3396 4.7721 4.7975 4.8076 4.8076 5.0545 5.0545 5.3500 5.3720 6.8832 6.8832 7.7806 7.7806 7.7839 7.7901 8.0969 8.0969 8.1049 8.1089 8.2477 8.2477 8.4395 8.4395 8.8192 8.8515 8.8520 8.8520 9.3237 9.3237 9.3279 9.3374 9.3773 9.3773 9.5812 9.5874 9.5874 9.5977 9.9272 9.9272 9.9614 9.9978 10.3425 10.3425 10.8218 10.8218 k = 0.0000 0.0000 0.7773 ( 7630 PWs) bands (ev): -2.6691 -2.6691 -2.5707 -2.5707 3.7106 3.7106 4.3298 4.3298 4.7658 4.7658 4.7833 4.8066 5.0798 5.0798 5.3839 5.4042 6.9492 6.9492 7.7455 7.7455 7.7493 7.7545 8.1044 8.1044 8.1129 8.1167 8.2826 8.2826 8.4223 8.4223 8.8342 8.8647 8.8693 8.8693 9.2827 9.2827 9.3228 9.3318 9.3721 9.3721 9.6315 9.6364 9.6364 9.6473 9.9106 9.9106 9.9455 9.9824 10.3159 10.3159 10.7673 10.7673 k = 0.0000 0.0000 0.8016 ( 7636 PWs) bands (ev): -2.6327 -2.6327 -2.5561 -2.5561 3.6230 3.6230 4.3156 4.3156 4.7293 4.7293 4.7917 4.8128 5.1080 5.1080 5.4197 5.4380 7.0136 7.0136 7.7104 7.7104 7.7146 7.7187 8.1114 8.1114 8.1202 8.1238 8.3163 8.3163 8.4050 8.4050 8.8463 8.8744 8.8832 8.8832 9.2436 9.2436 9.3238 9.3308 9.3726 9.3726 9.6821 9.6854 9.6854 9.6978 9.8945 9.8945 9.9300 9.9673 10.2912 10.2912 10.7122 10.7123 k = 0.0000 0.0000 0.8259 ( 7636 PWs) bands (ev): -2.5981 -2.5981 -2.5423 -2.5423 3.5410 3.5410 4.2979 4.2979 4.6982 4.6982 4.7978 4.8166 5.1377 5.1377 5.4564 5.4728 7.0758 7.0758 7.6760 7.6760 7.6800 7.6833 8.1179 8.1179 8.1271 8.1304 8.3487 8.3487 8.3881 8.3881 8.8552 8.8804 8.8934 8.8934 9.2064 9.2064 9.3306 9.3348 9.3790 9.3790 9.7325 9.7335 9.7335 9.7481 9.8786 9.8786 9.9150 9.9526 10.2684 10.2684 10.6583 10.6583 k = 0.0000 0.0000 0.8502 ( 7630 PWs) bands (ev): -2.5657 -2.5657 -2.5295 -2.5295 3.4653 3.4653 4.2778 4.2778 4.6723 4.6723 4.8020 4.8187 5.1680 5.1680 5.4930 5.5075 7.1353 7.1353 7.6427 7.6427 7.6463 7.6489 8.1239 8.1239 8.1335 8.1365 8.3686 8.3686 8.3828 8.3828 8.8609 8.8829 8.8999 8.8999 9.1711 9.1711 9.3426 9.3435 9.3909 9.3909 9.7803 9.7803 9.7822 9.7975 9.8628 9.8628 9.9004 9.9383 10.2476 10.2476 10.6061 10.6061 k = 0.0000 0.0000 0.8745 ( 7624 PWs) bands (ev): -2.5359 -2.5359 -2.5177 -2.5177 3.3962 3.3962 4.2566 4.2566 4.6509 4.6509 4.8049 4.8195 5.1977 5.1977 5.5287 5.5414 7.1913 7.1913 7.6111 7.6111 7.6140 7.6159 8.1296 8.1296 8.1395 8.1422 8.3541 8.3541 8.4111 8.4111 8.8638 8.8825 8.9031 8.9031 9.1377 9.1377 9.3563 9.3585 9.4075 9.4075 9.8243 9.8243 9.8305 9.8449 9.8480 9.8480 9.8865 9.9250 10.2288 10.2288 10.5561 10.5561 k = 0.0000 0.0000 0.8988 ( 7636 PWs) bands (ev): -2.5105 -2.5105 -2.5052 -2.5052 3.3341 3.3341 4.2353 4.2353 4.6334 4.6334 4.8068 4.8193 5.2260 5.2260 5.5627 5.5736 7.2433 7.2433 7.5817 7.5817 7.5836 7.5850 8.1347 8.1347 8.1450 8.1474 8.3391 8.3391 8.4391 8.4391 8.8643 8.8799 8.9036 8.9036 9.1065 9.1065 9.3722 9.3773 9.4278 9.4278 9.8292 9.8292 9.8674 9.8699 9.8699 9.8831 9.8840 9.9186 10.2122 10.2122 10.5089 10.5092 k = 0.0000 0.0000 0.9231 ( 7636 PWs) bands (ev): -2.4987 -2.4987 -2.4834 -2.4834 3.2796 3.2796 4.2150 4.2150 4.6193 4.6193 4.8080 4.8185 5.2522 5.2522 5.5941 5.6033 7.2905 7.2905 7.5550 7.5550 7.5557 7.5566 8.1395 8.1395 8.1500 8.1522 8.3251 8.3251 8.4653 8.4653 8.8633 8.8759 8.9023 8.9023 9.0776 9.0776 9.3901 9.3975 9.4507 9.4507 9.8132 9.8132 9.8576 9.8867 9.9096 9.9096 9.9252 9.9467 10.1977 10.1977 10.4649 10.4649 k = 0.0000 0.0000 0.9474 ( 7636 PWs) bands (ev): -2.4905 -2.4905 -2.4625 -2.4625 3.2328 3.2328 4.1966 4.1966 4.6081 4.6081 4.8087 4.8174 5.2756 5.2756 5.6222 5.6298 7.3322 7.3322 7.5309 7.5314 7.5314 7.5315 8.1437 8.1437 8.1545 8.1564 8.3125 8.3125 8.4892 8.4892 8.8612 8.8712 8.8999 8.8999 9.0514 9.0514 9.4088 9.4177 9.4749 9.4749 9.7966 9.7966 9.8457 9.8743 9.9467 9.9467 9.9686 9.9879 10.1854 10.1854 10.4225 10.4245 k = 0.0000 0.0000 0.9717 ( 7648 PWs) bands (ev): -2.4839 -2.4839 -2.4450 -2.4450 3.1941 3.1941 4.1807 4.1807 4.5994 4.5994 4.8092 4.8160 5.2957 5.2957 5.6465 5.6525 7.3677 7.3677 7.5097 7.5101 7.5115 7.5115 8.1473 8.1473 8.1584 8.1599 8.3017 8.3017 8.5104 8.5104 8.8589 8.8665 8.8971 8.8971 9.0283 9.0283 9.4272 9.4366 9.4992 9.4992 9.7799 9.7799 9.8349 9.8607 9.9802 9.9802 10.0099 10.0282 10.1754 10.1754 10.3780 10.3883 k = 0.0000 0.0000 0.9960 ( 7630 PWs) bands (ev): -2.4786 -2.4786 -2.4311 -2.4311 3.1637 3.1637 4.1679 4.1679 4.5928 4.5928 4.8096 4.8147 5.3118 5.3118 5.6661 5.6706 7.3961 7.3961 7.4926 7.4928 7.4955 7.4955 8.1502 8.1502 8.1616 8.1627 8.2928 8.2928 8.5281 8.5281 8.8567 8.8622 8.8943 8.8943 9.0091 9.0091 9.4440 9.4527 9.5220 9.5220 9.7639 9.7639 9.8264 9.8476 10.0091 10.0091 10.0485 10.0656 10.1676 10.1676 10.3396 10.3571 k = 0.0000 0.0000 1.0203 ( 7630 PWs) bands (ev): -2.4749 -2.4749 -2.4211 -2.4211 3.1419 3.1419 4.1585 4.1585 4.5883 4.5883 4.8101 4.8134 5.3236 5.3236 5.6808 5.6838 7.4170 7.4170 7.4801 7.4802 7.4838 7.4838 8.1523 8.1523 8.1639 8.1647 8.2862 8.2862 8.5416 8.5416 8.8551 8.8587 8.8920 8.8920 8.9945 8.9945 9.4580 9.4647 9.5413 9.5413 9.7498 9.7498 9.8207 9.8359 10.0321 10.0321 10.0833 10.0981 10.1622 10.1622 10.3067 10.3224 k = 0.0000 0.0000 1.0446 ( 7624 PWs) bands (ev): -2.4726 -2.4726 -2.4150 -2.4150 3.1287 3.1287 4.1527 4.1527 4.5856 4.5856 4.8106 4.8123 5.3309 5.3309 5.6901 5.6915 7.4298 7.4298 7.4724 7.4725 7.4767 7.4767 8.1536 8.1536 8.1654 8.1658 8.2821 8.2821 8.5501 8.5501 8.8544 8.8561 8.8906 8.8906 8.9853 8.9853 9.4678 9.4715 9.5548 9.5548 9.7397 9.7397 9.8187 9.8266 10.0474 10.0474 10.1113 10.1209 10.1590 10.1590 10.2838 10.2939 k = 0.0000 0.0000 1.0688 ( 7648 PWs) bands (ev): -2.4718 -2.4718 -2.4130 -2.4130 3.1243 3.1243 4.1508 4.1508 4.5848 4.5848 4.8114 4.8114 5.3333 5.3333 5.6937 5.6937 7.4341 7.4341 7.4698 7.4698 7.4743 7.4743 8.1541 8.1541 8.1661 8.1661 8.2808 8.2808 8.5530 8.5530 8.8547 8.8547 8.8901 8.8901 8.9821 8.9821 9.4725 9.4725 9.5597 9.5597 9.7360 9.7360 9.8207 9.8207 10.0527 10.0527 10.1263 10.1263 10.1580 10.1580 10.2786 10.2786 k = 0.0000 0.0000 1.0688 ( 7648 PWs) bands (ev): -2.4718 -2.4718 -2.4130 -2.4130 3.1243 3.1243 4.1508 4.1508 4.5848 4.5848 4.8114 4.8114 5.3333 5.3333 5.6937 5.6937 7.4341 7.4341 7.4698 7.4698 7.4743 7.4743 8.1541 8.1541 8.1661 8.1661 8.2808 8.2808 8.5530 8.5530 8.8547 8.8547 8.8901 8.8901 8.9821 8.9821 9.4725 9.4725 9.5597 9.5597 9.7360 9.7360 9.8207 9.8207 10.0527 10.0527 10.1263 10.1263 10.1580 10.1580 10.2786 10.2786 k = 0.0208 0.0120 1.0688 ( 7628 PWs) bands (ev): -2.4718 -2.4718 -2.4130 -2.4130 3.1251 3.1251 4.1498 4.1498 4.5847 4.5847 4.8118 4.8118 5.3326 5.3326 5.6928 5.6929 7.4249 7.4249 7.4734 7.4737 7.4826 7.4828 8.1537 8.1537 8.1657 8.1657 8.2809 8.2809 8.5533 8.5533 8.8522 8.8525 8.8867 8.8872 8.9869 8.9871 9.4709 9.4711 9.5577 9.5579 9.7308 9.7309 9.8115 9.8117 10.0641 10.0643 10.1335 10.1337 10.1513 10.1517 10.2757 10.2772 k = 0.0417 0.0241 1.0688 ( 7632 PWs) bands (ev): -2.4717 -2.4717 -2.4131 -2.4131 3.1273 3.1273 4.1466 4.1466 4.5846 4.5847 4.8131 4.8133 5.3303 5.3305 5.6904 5.6906 7.4077 7.4077 7.4798 7.4804 7.5017 7.5023 8.1526 8.1526 8.1645 8.1646 8.2814 8.2814 8.5544 8.5544 8.8435 8.8459 8.8787 8.8821 8.9986 8.9999 9.4652 9.4667 9.5517 9.5532 9.7160 9.7169 9.7883 9.7895 10.0928 10.0944 10.1347 10.1361 10.1549 10.1556 10.2563 10.2613 k = 0.0625 0.0361 1.0688 ( 7632 PWs) bands (ev): -2.4715 -2.4715 -2.4133 -2.4133 3.1311 3.1311 4.1413 4.1414 4.5843 4.5846 4.8152 4.8157 5.3266 5.3270 5.6862 5.6868 7.3892 7.3892 7.4900 7.4910 7.5241 7.5250 8.1507 8.1509 8.1626 8.1628 8.2821 8.2821 8.5562 8.5563 8.8290 8.8342 8.8705 8.8783 9.0135 9.0166 9.4541 9.4588 9.5430 9.5475 9.6932 9.6957 9.7591 9.7623 10.1090 10.1136 10.1378 10.1421 10.1837 10.1863 10.2268 10.2354 k = 0.0833 0.0481 1.0688 ( 7624 PWs) bands (ev): -2.4712 -2.4712 -2.4136 -2.4136 3.1364 3.1364 4.1338 4.1340 4.5840 4.5848 4.8181 4.8194 5.3213 5.3223 5.6802 5.6817 7.3706 7.3707 7.5041 7.5056 7.5482 7.5496 8.1481 8.1485 8.1598 8.1604 8.2829 8.2829 8.5590 8.5591 8.8108 8.8182 8.8639 8.8757 9.0289 9.0347 9.4364 9.4459 9.5337 9.5426 9.6642 9.6687 9.7304 9.7358 10.0886 10.0969 10.1811 10.1821 10.1907 10.1913 10.2301 10.2409 k = 0.1042 0.0601 1.0688 ( 7620 PWs) bands (ev): -2.4709 -2.4709 -2.4139 -2.4139 3.1431 3.1431 4.1240 4.1245 4.5837 4.5852 4.8218 4.8244 5.3144 5.3163 5.6725 5.6753 7.3523 7.3523 7.5220 7.5239 7.5738 7.5759 8.1448 8.1455 8.1563 8.1574 8.2836 8.2837 8.5628 8.5630 8.7909 8.7997 8.8584 8.8734 9.0436 9.0526 9.4121 9.4264 9.5262 9.5390 9.6311 9.6367 9.7058 9.7127 10.0668 10.0793 10.1456 10.1569 10.2308 10.2465 10.2719 10.2881 k = 0.1250 0.0722 1.0688 ( 7612 PWs) bands (ev): -2.4705 -2.4704 -2.4143 -2.4143 3.1513 3.1513 4.1121 4.1128 4.5836 4.5860 4.8263 4.8307 5.3061 5.3091 5.6630 5.6677 7.3341 7.3343 7.5433 7.5459 7.6009 7.6038 8.1407 8.1419 8.1521 8.1539 8.2841 8.2844 8.5680 8.5682 8.7702 8.7799 8.8535 8.8712 9.0566 9.0692 9.3819 9.4003 9.5216 9.5357 9.5970 9.6015 9.6865 9.6939 10.0454 10.0625 10.1066 10.1211 10.2808 10.3043 10.3199 10.3433 k = 0.1458 0.0842 1.0688 ( 7604 PWs) bands (ev): -2.4700 -2.4699 -2.4148 -2.4148 3.1609 3.1609 4.0980 4.0990 4.5835 4.5874 4.8318 4.8385 5.2962 5.3007 5.6518 5.6589 7.3164 7.3166 7.5678 7.5713 7.6296 7.6335 8.1358 8.1375 8.1475 8.1501 8.2844 8.2847 8.5745 8.5750 8.7490 8.7594 8.8489 8.8689 9.0674 9.0840 9.3470 9.3683 9.5192 9.5275 9.5657 9.5683 9.6723 9.6793 10.0249 10.0465 10.0677 10.0852 10.3314 10.3594 10.3753 10.4030 k = 0.1667 0.0962 1.0688 ( 7612 PWs) bands (ev): -2.4694 -2.4693 -2.4154 -2.4154 3.1719 3.1720 4.0818 4.0831 4.5838 4.5894 4.8382 4.8478 5.2851 5.2913 5.6391 5.6490 7.2990 7.2993 7.5953 7.5998 7.6599 7.6650 8.1300 8.1321 8.1428 8.1461 8.2841 8.2846 8.5827 8.5834 8.7276 8.7384 8.8447 8.8666 9.0755 9.0964 9.3084 9.3317 9.5038 9.5119 9.5372 9.5564 9.6628 9.6689 10.0054 10.0284 10.0323 10.0499 10.3821 10.4105 10.4375 10.4655 k = 0.1875 0.1083 1.0688 ( 7620 PWs) bands (ev): -2.4687 -2.4687 -2.4161 -2.4160 3.1842 3.1843 4.0636 4.0652 4.5844 4.5920 4.8456 4.8587 5.2727 5.2808 5.6248 5.6381 7.2820 7.2824 7.6253 7.6310 7.6919 7.6985 8.1231 8.1253 8.1384 8.1423 8.2834 8.2841 8.5925 8.5936 8.7058 8.7167 8.8411 8.8645 9.0807 9.1060 9.2668 9.2917 9.4704 9.4833 9.5329 9.5562 9.6576 9.6624 9.9868 9.9921 10.0155 10.0169 10.4324 10.4603 10.5023 10.5298 k = 0.2083 0.1203 1.0688 ( 7616 PWs) bands (ev): -2.4680 -2.4679 -2.4168 -2.4167 3.1979 3.1980 4.0435 4.0453 4.5854 4.5954 4.8539 4.8711 5.2593 5.2693 5.6092 5.6261 7.2655 7.2660 7.6576 7.6646 7.7257 7.7339 8.1150 8.1172 8.1346 8.1387 8.2822 8.2831 8.6040 8.6055 8.6835 8.6945 8.8382 8.8626 9.0829 9.1126 9.2230 9.2492 9.4353 9.4485 9.5376 9.5600 9.6564 9.6597 9.9563 9.9693 9.9824 10.0027 10.4818 10.5091 10.5679 10.5948 k = 0.2292 0.1323 1.0688 ( 7612 PWs) bands (ev): -2.4672 -2.4671 -2.4177 -2.4175 3.2127 3.2128 4.0217 4.0238 4.5869 4.5994 4.8633 4.8849 5.2450 5.2568 5.5925 5.6132 7.2496 7.2502 7.6917 7.7001 7.7615 7.7714 8.1060 8.1079 8.1313 8.1356 8.2805 8.2817 8.6171 8.6190 8.6604 8.6715 8.8361 8.8613 9.0819 9.1161 9.1774 9.2052 9.4007 9.4138 9.5451 9.5657 9.6589 9.6605 9.9220 9.9484 9.9550 9.9889 10.5299 10.5567 10.6336 10.6600 k = 0.2500 0.1443 1.0688 ( 7610 PWs) bands (ev): -2.4663 -2.4662 -2.4186 -2.4184 3.2286 3.2288 3.9984 4.0008 4.5890 4.6039 4.8737 4.9000 5.2302 5.2435 5.5748 5.5993 7.2343 7.2350 7.7273 7.7373 7.7992 7.8110 8.0961 8.0978 8.1285 8.1329 8.2785 8.2800 8.6317 8.6340 8.6366 8.6476 8.8349 8.8606 9.0770 9.1164 9.1304 9.1611 9.3672 9.3802 9.5541 9.5729 9.6646 9.6646 9.8895 9.9182 9.9395 9.9756 10.5763 10.6023 10.6986 10.7246 k = 0.2708 0.1564 1.0688 ( 7606 PWs) bands (ev): -2.4654 -2.4652 -2.4195 -2.4193 3.2456 3.2458 3.9740 3.9765 4.5916 4.6090 4.8851 4.9162 5.2151 5.2294 5.5565 5.5846 7.2198 7.2205 7.7642 7.7755 7.8390 7.8524 8.0857 8.0871 8.1262 8.1305 8.2761 8.2779 8.6116 8.6225 8.6474 8.6505 8.8346 8.8608 9.0649 9.0825 9.1139 9.1207 9.3351 9.3479 9.5643 9.5812 9.6716 9.6731 9.8589 9.8886 9.9261 9.9628 10.6204 10.6456 10.7625 10.7880 k = 0.2917 0.1684 1.0688 ( 7616 PWs) bands (ev): -2.4644 -2.4642 -2.4205 -2.4203 3.2634 3.2637 3.9487 3.9512 4.5948 4.6144 4.8974 4.9334 5.1999 5.2146 5.5379 5.5691 7.2062 7.2069 7.8019 7.8145 7.8806 7.8957 8.0749 8.0761 8.1242 8.1285 8.2735 8.2757 8.5856 8.5964 8.6642 8.6678 8.8350 8.8618 9.0341 9.0375 9.0931 9.1088 9.3047 9.3172 9.5752 9.5901 9.6810 9.6838 9.8305 9.8605 9.9142 9.9504 10.6618 10.6860 10.8248 10.8499 k = 0.3125 0.1804 1.0688 ( 7604 PWs) bands (ev): -2.4634 -2.4632 -2.4216 -2.4213 3.2820 3.2823 3.9228 3.9254 4.5986 4.6199 4.9106 4.9512 5.1851 5.1992 5.5193 5.5530 7.1935 7.1942 7.8404 7.8540 7.9239 7.9403 8.0641 8.0651 8.1227 8.1269 8.2708 8.2733 8.5583 8.5693 8.6816 8.6858 8.8357 8.8636 8.9862 8.9957 9.0779 9.1013 9.2760 9.2880 9.5865 9.5995 9.6924 9.6962 9.8045 9.8340 9.9038 9.9386 10.7000 10.7228 10.8851 10.9098 k = 0.3333 0.1925 1.0688 ( 7604 PWs) bands (ev): -2.4623 -2.4621 -2.4226 -2.4224 3.3011 3.3014 3.8968 3.8993 4.6029 4.6253 4.9246 4.9694 5.1708 5.1833 5.5011 5.5365 7.1818 7.1825 7.8794 7.8937 7.9685 7.9861 8.0536 8.0543 8.1216 8.1257 8.2682 8.2709 8.5301 8.5411 8.6992 8.7040 8.8350 8.8655 8.9405 8.9494 9.0666 9.0919 9.2493 9.2606 9.5978 9.6090 9.7052 9.7096 9.7812 9.8095 9.8949 9.9274 10.7346 10.7557 10.9430 10.9673 k = 0.3542 0.2045 1.0688 ( 7600 PWs) bands (ev): -2.4613 -2.4610 -2.4237 -2.4234 3.3203 3.3207 3.8710 3.8734 4.6076 4.6304 4.9392 4.9876 5.1574 5.1671 5.4837 5.5197 7.1713 7.1719 7.9186 7.9333 8.0136 8.0320 8.0438 8.0444 8.1209 8.1248 8.2656 8.2686 8.5009 8.5122 8.7167 8.7220 8.8275 8.8634 8.9028 8.9064 9.0561 9.0811 9.2246 9.2350 9.6088 9.6182 9.7184 9.7228 9.7611 9.7873 9.8874 9.9171 10.7651 10.7843 10.9983 11.0221 k = 0.3750 0.2165 1.0688 ( 7596 PWs) bands (ev): -2.4603 -2.4600 -2.4247 -2.4245 3.3394 3.3398 3.8460 3.8482 4.6127 4.6350 4.9543 5.0055 5.1450 5.1507 5.4678 5.5030 7.1620 7.1626 7.9577 7.9727 8.0337 8.0343 8.0603 8.0779 8.1206 8.1246 8.2632 8.2664 8.4714 8.4829 8.7334 8.7394 8.8024 8.8370 8.8841 8.8885 9.0458 9.0692 9.2023 9.2116 9.6191 9.6269 9.7304 9.7311 9.7488 9.7686 9.8814 9.9076 10.7913 10.8084 11.0507 11.0738 k = 0.3958 0.2285 1.0688 ( 7580 PWs) bands (ev): -2.4593 -2.4590 -2.4257 -2.4254 3.3578 3.3583 3.8224 3.8244 4.6180 4.6387 4.9698 5.0225 5.1338 5.1343 5.4537 5.4868 7.1540 7.1545 7.9958 8.0113 8.0257 8.0268 8.1038 8.1156 8.1212 8.1309 8.2610 8.2644 8.4421 8.4538 8.7477 8.7555 8.7629 8.7935 8.8817 8.8901 9.0358 9.0568 9.1824 9.1904 9.6285 9.6349 9.7229 9.7354 9.7550 9.7587 9.8770 9.8992 10.8133 10.8279 11.0998 11.1221 k = 0.4167 0.2406 1.0688 ( 7590 PWs) bands (ev): -2.4584 -2.4582 -2.4266 -2.4263 3.3749 3.3753 3.8010 3.8027 4.6233 4.6415 4.9855 5.0382 5.1181 5.1238 5.4422 5.4715 7.1474 7.1478 8.0161 8.0185 8.0374 8.0488 8.1209 8.1210 8.1459 8.1664 8.2590 8.2627 8.4146 8.4263 8.7195 8.7381 8.7700 8.7708 8.8857 8.8950 9.0265 9.0444 9.1653 9.1718 9.6367 9.6417 9.7119 9.7267 9.7636 9.7655 9.8742 9.8920 10.8310 10.8429 11.1451 11.1661 k = 0.4375 0.2526 1.0688 ( 7598 PWs) bands (ev): -2.4576 -2.4574 -2.4273 -2.4271 3.3898 3.3902 3.7826 3.7840 4.6284 4.6431 5.0013 5.0519 5.1024 5.1149 5.4336 5.4575 7.1422 7.1425 8.0119 8.0127 8.0722 8.0829 8.1218 8.1236 8.1802 8.1998 8.2575 8.2611 8.3915 8.4028 8.6780 8.6965 8.7801 8.7821 8.8917 8.9003 9.0183 9.0326 9.1515 9.1564 9.6435 9.6472 9.7033 9.7155 9.7719 9.7745 9.8729 9.8861 10.8446 10.8537 11.1859 11.2047 k = 0.4583 0.2646 1.0688 ( 7602 PWs) bands (ev): -2.4570 -2.4569 -2.4278 -2.4277 3.4016 3.4020 3.7684 3.7694 4.6331 4.6434 5.0171 5.0617 5.0891 5.1068 5.4286 5.4455 7.1385 7.1387 8.0080 8.0084 8.1025 8.1064 8.1255 8.1336 8.2029 8.2200 8.2570 8.2599 8.3770 8.3868 8.6428 8.6574 8.7893 8.7911 8.8980 8.9046 9.0122 9.0223 9.1413 9.1446 9.6488 9.6512 9.6977 9.7062 9.7787 9.7809 9.8729 9.8816 10.8545 10.8606 11.2205 11.2354 k = 0.4792 0.2766 1.0688 ( 7586 PWs) bands (ev): -2.4566 -2.4566 -2.4282 -2.4281 3.4093 3.4095 3.7595 3.7600 4.6372 4.6425 5.0327 5.0603 5.0855 5.0991 5.4273 5.4361 7.1362 7.1363 8.0055 8.0057 8.1136 8.1141 8.1428 8.1527 8.2110 8.2224 8.2580 8.2591 8.3738 8.3799 8.6191 8.6276 8.7956 8.7966 8.9033 8.9069 9.0092 9.0144 9.1353 9.1369 9.6522 9.6534 9.6952 9.6995 9.7832 9.7845 9.8739 9.8782 10.8609 10.8640 11.2461 11.2547 k = 0.5000 0.2887 1.0688 ( 7584 PWs) bands (ev): -2.4565 -2.4565 -2.4283 -2.4283 3.4121 3.4121 3.7566 3.7566 4.6404 4.6404 5.0477 5.0477 5.0915 5.0915 5.4299 5.4299 7.1355 7.1355 8.0048 8.0048 8.1151 8.1151 8.1585 8.1585 8.2149 8.2149 8.2587 8.2587 8.3768 8.3768 8.6134 8.6134 8.7981 8.7981 8.9065 8.9065 9.0099 9.0099 9.1338 9.1338 9.6538 9.6538 9.6958 9.6958 9.7852 9.7852 9.8757 9.8757 10.8640 10.8640 11.2586 11.2586 k = 0.5000 0.2887 1.0688 ( 7584 PWs) bands (ev): -2.4565 -2.4565 -2.4283 -2.4283 3.4121 3.4121 3.7566 3.7566 4.6404 4.6404 5.0477 5.0477 5.0915 5.0915 5.4299 5.4299 7.1355 7.1355 8.0048 8.0048 8.1151 8.1151 8.1585 8.1585 8.2149 8.2149 8.2587 8.2587 8.3768 8.3768 8.6134 8.6134 8.7981 8.7981 8.9065 8.9065 9.0099 9.0099 9.1338 9.1338 9.6538 9.6538 9.6958 9.6958 9.7852 9.7852 9.8757 9.8757 10.8640 10.8640 11.2586 11.2586 k = 0.4881 0.3093 1.0688 ( 7588 PWs) bands (ev): -2.4564 -2.4564 -2.4283 -2.4283 3.4130 3.4130 3.7555 3.7555 4.6409 4.6409 5.0453 5.0453 5.0939 5.0939 5.4290 5.4290 7.1350 7.1350 8.0047 8.0047 8.1147 8.1147 8.1594 8.1594 8.2163 8.2163 8.2579 8.2579 8.3778 8.3778 8.6139 8.6139 8.8017 8.8017 8.9050 8.9050 9.0080 9.0080 9.1335 9.1335 9.6531 9.6531 9.6966 9.6966 9.7830 9.7830 9.8744 9.8744 10.8658 10.8658 11.2576 11.2576 k = 0.4762 0.3299 1.0688 ( 7588 PWs) bands (ev): -2.4561 -2.4561 -2.4286 -2.4286 3.4156 3.4156 3.7524 3.7524 4.6426 4.6426 5.0392 5.0392 5.1002 5.1002 5.4262 5.4262 7.1333 7.1333 8.0044 8.0044 8.1133 8.1133 8.1619 8.1619 8.2201 8.2201 8.2556 8.2556 8.3810 8.3810 8.6153 8.6153 8.8124 8.8124 8.9008 8.9008 9.0023 9.0023 9.1329 9.1329 9.6511 9.6511 9.6987 9.6987 9.7765 9.7765 9.8708 9.8708 10.8711 10.8711 11.2545 11.2545 k = 0.4643 0.3505 1.0688 ( 7584 PWs) bands (ev): -2.4557 -2.4557 -2.4290 -2.4290 3.4200 3.4200 3.7472 3.7472 4.6454 4.6454 5.0310 5.0310 5.1087 5.1087 5.4215 5.4215 7.1307 7.1307 8.0037 8.0037 8.1114 8.1114 8.1664 8.1664 8.2260 8.2260 8.2520 8.2520 8.3864 8.3864 8.6176 8.6176 8.8295 8.8295 8.8940 8.8940 8.9930 8.9930 9.1318 9.1318 9.6482 9.6482 9.7018 9.7018 9.7657 9.7657 9.8650 9.8650 10.8798 10.8798 11.2495 11.2495 k = 0.4524 0.3712 1.0688 ( 7592 PWs) bands (ev): -2.4551 -2.4551 -2.4296 -2.4296 3.4261 3.4261 3.7399 3.7399 4.6492 4.6492 5.0216 5.0216 5.1187 5.1187 5.4150 5.4150 7.1273 7.1273 8.0024 8.0024 8.1092 8.1092 8.1729 8.1729 8.2329 8.2329 8.2477 8.2477 8.3942 8.3942 8.6207 8.6207 8.8517 8.8517 8.8851 8.8851 8.9803 8.9803 9.1304 9.1304 9.6447 9.6447 9.7055 9.7055 9.7511 9.7511 9.8574 9.8574 10.8917 10.8917 11.2427 11.2427 k = 0.4405 0.3918 1.0688 ( 7596 PWs) bands (ev): -2.4544 -2.4544 -2.4303 -2.4303 3.4340 3.4340 3.7307 3.7307 4.6540 4.6540 5.0114 5.0114 5.1297 5.1297 5.4067 5.4067 7.1233 7.1233 8.0005 8.0005 8.1076 8.1076 8.1813 8.1813 8.2360 8.2360 8.2473 8.2473 8.4045 8.4045 8.6246 8.6246 8.8673 8.8673 8.8849 8.8849 8.9645 8.9645 9.1288 9.1288 9.6409 9.6409 9.7088 9.7088 9.7335 9.7335 9.8485 9.8485 10.9065 10.9065 11.2339 11.2339 k = 0.4286 0.4124 1.0688 ( 7606 PWs) bands (ev): -2.4535 -2.4535 -2.4312 -2.4312 3.4436 3.4436 3.7196 3.7196 4.6595 4.6595 5.0008 5.0008 5.1417 5.1417 5.3968 5.3968 7.1188 7.1188 7.9977 7.9977 8.1070 8.1070 8.1913 8.1913 8.2307 8.2307 8.2550 8.2550 8.4175 8.4175 8.6292 8.6292 8.8556 8.8556 8.9118 8.9118 8.9476 8.9476 9.1272 9.1272 9.6368 9.6368 9.7052 9.7052 9.7199 9.7199 9.8386 9.8386 10.9240 10.9240 11.2235 11.2235 k = 0.4167 0.4330 1.0688 ( 7598 PWs) bands (ev): -2.4525 -2.4525 -2.4323 -2.4323 3.4548 3.4548 3.7068 3.7068 4.6657 4.6657 4.9900 4.9900 5.1547 5.1547 5.3853 5.3853 7.1141 7.1141 7.9942 7.9942 8.1078 8.1078 8.2016 8.2016 8.2242 8.2242 8.2643 8.2643 8.4331 8.4331 8.6343 8.6343 8.8394 8.8394 8.9174 8.9174 8.9543 8.9543 9.1256 9.1256 9.6325 9.6325 9.6845 9.6845 9.7211 9.7211 9.8284 9.8284 10.9436 10.9436 11.2115 11.2115 k = 0.4048 0.4536 1.0688 ( 7590 PWs) bands (ev): -2.4513 -2.4513 -2.4334 -2.4334 3.4677 3.4677 3.6922 3.6922 4.6723 4.6723 4.9793 4.9793 5.1686 5.1686 5.3723 5.3723 7.1095 7.1095 7.9902 7.9902 8.1102 8.1102 8.2059 8.2059 8.2241 8.2241 8.2734 8.2734 8.4509 8.4509 8.6399 8.6399 8.8216 8.8216 8.8957 8.8957 8.9880 8.9880 9.1242 9.1242 9.6270 9.6270 9.6606 9.6606 9.7248 9.7248 9.8184 9.8184 10.9652 10.9652 11.1981 11.1981 k = 0.3929 0.4743 1.0688 ( 7586 PWs) bands (ev): -2.4501 -2.4501 -2.4347 -2.4347 3.4822 3.4822 3.6761 3.6761 4.6791 4.6791 4.9691 4.9691 5.1835 5.1835 5.3580 5.3580 7.1051 7.1051 7.9860 7.9860 8.1140 8.1140 8.1993 8.1993 8.2352 8.2352 8.2819 8.2819 8.4701 8.4701 8.6457 8.6457 8.8030 8.8030 8.8705 8.8705 9.0235 9.0235 9.1232 9.1232 9.6162 9.6162 9.6413 9.6413 9.7284 9.7284 9.8090 9.8090 10.9881 10.9881 11.1834 11.1834 k = 0.3810 0.4949 1.0688 ( 7598 PWs) bands (ev): -2.4487 -2.4487 -2.4361 -2.4361 3.4982 3.4982 3.6585 3.6585 4.6855 4.6855 4.9596 4.9596 5.1992 5.1992 5.3424 5.3424 7.1013 7.1013 7.9819 7.9819 8.1192 8.1192 8.1899 8.1899 8.2492 8.2492 8.2895 8.2895 8.4896 8.4896 8.6514 8.6514 8.7848 8.7848 8.8446 8.8446 9.0574 9.0574 9.1228 9.1228 9.5959 9.5959 9.6325 9.6325 9.7314 9.7314 9.8007 9.8007 11.0117 11.0117 11.1677 11.1677 k = 0.3690 0.5155 1.0688 ( 7594 PWs) bands (ev): -2.4472 -2.4472 -2.4376 -2.4376 3.5157 3.5157 3.6396 3.6396 4.6914 4.6914 4.9515 4.9515 5.2157 5.2157 5.3257 5.3257 7.0980 7.0980 7.9783 7.9783 8.1254 8.1254 8.1802 8.1802 8.2631 8.2631 8.2959 8.2959 8.5078 8.5078 8.6567 8.6567 8.7684 8.7684 8.8195 8.8195 9.0872 9.0872 9.1230 9.1230 9.5733 9.5733 9.6287 9.6287 9.7336 9.7336 9.7941 9.7941 11.0356 11.0356 11.1512 11.1512 k = 0.3571 0.5361 1.0688 ( 7594 PWs) bands (ev): -2.4457 -2.4457 -2.4391 -2.4391 3.5347 3.5347 3.6196 3.6196 4.6961 4.6961 4.9452 4.9452 5.2330 5.2330 5.3082 5.3082 7.0955 7.0955 7.9756 7.9756 8.1323 8.1323 8.1707 8.1707 8.2753 8.2753 8.3010 8.3010 8.5226 8.5226 8.6610 8.6610 8.7557 8.7557 8.7975 8.7975 9.1098 9.1098 9.1246 9.1246 9.5541 9.5541 9.6267 9.6267 9.7348 9.7348 9.7895 9.7895 11.0588 11.0588 11.1342 11.1342 k = 0.3452 0.5567 1.0688 ( 7594 PWs) bands (ev): -2.4441 -2.4441 -2.4407 -2.4407 3.5550 3.5550 3.5986 3.5986 4.6992 4.6992 4.9411 4.9411 5.2509 5.2509 5.2901 5.2901 7.0940 7.0940 7.9738 7.9738 8.1393 8.1393 8.1622 8.1622 8.2841 8.2841 8.3047 8.3047 8.5318 8.5318 8.6636 8.6636 8.7485 8.7485 8.7814 8.7814 9.1209 9.1209 9.1293 9.1293 9.5415 9.5415 9.6257 9.6257 9.7352 9.7352 9.7869 9.7869 11.0804 11.0804 11.1170 11.1170 k = 0.3333 0.5774 1.0688 ( 7596 PWs) bands (ev): -2.4424 -2.4424 -2.4424 -2.4424 3.5759 3.5759 3.5774 3.5774 4.7002 4.7002 4.9397 4.9397 5.2653 5.2653 5.2755 5.2755 7.0935 7.0935 7.9732 7.9732 8.1432 8.1432 8.1577 8.1577 8.2873 8.2873 8.3063 8.3063 8.5347 8.5347 8.6643 8.6643 8.7466 8.7466 8.7752 8.7752 9.1235 9.1235 9.1320 9.1320 9.5371 9.5371 9.6254 9.6254 9.7352 9.7352 9.7862 9.7862 11.0966 11.0966 11.1025 11.1025 k = 0.3333 0.5774 1.0688 ( 7596 PWs) bands (ev): -2.4424 -2.4424 -2.4424 -2.4424 3.5759 3.5759 3.5774 3.5774 4.7002 4.7002 4.9397 4.9397 5.2653 5.2653 5.2755 5.2755 7.0935 7.0935 7.9732 7.9732 8.1432 8.1432 8.1577 8.1577 8.2873 8.2873 8.3063 8.3063 8.5347 8.5347 8.6643 8.6643 8.7466 8.7466 8.7752 8.7752 9.1235 9.1235 9.1320 9.1320 9.5371 9.5371 9.6254 9.6254 9.7352 9.7352 9.7862 9.7862 11.0966 11.0966 11.1025 11.1025 k = 0.3214 0.5567 1.0688 ( 7604 PWs) bands (ev): -2.4441 -2.4441 -2.4407 -2.4407 3.5541 3.5541 3.5995 3.5995 4.6991 4.6991 4.9411 4.9411 5.2505 5.2505 5.2905 5.2905 7.0940 7.0940 7.9738 7.9738 8.1394 8.1394 8.1620 8.1620 8.2840 8.2840 8.3038 8.3038 8.5326 8.5326 8.6645 8.6645 8.7478 8.7478 8.7815 8.7815 9.1176 9.1176 9.1328 9.1328 9.5411 9.5411 9.6256 9.6256 9.7354 9.7354 9.7868 9.7868 11.0824 11.0824 11.1146 11.1146 k = 0.3095 0.5361 1.0688 ( 7600 PWs) bands (ev): -2.4458 -2.4458 -2.4390 -2.4390 3.5310 3.5310 3.6235 3.6235 4.6959 4.6959 4.9451 4.9451 5.2315 5.2315 5.3102 5.3102 7.0957 7.0957 7.9758 7.9758 8.1329 8.1329 8.1701 8.1701 8.2739 8.2739 8.2948 8.2948 8.5284 8.5284 8.6674 8.6674 8.7509 8.7509 8.7979 8.7979 9.0993 9.0993 9.1370 9.1370 9.5518 9.5518 9.6265 9.6265 9.7363 9.7363 9.7885 9.7885 11.0661 11.0661 11.1235 11.1235 k = 0.2976 0.5155 1.0688 ( 7594 PWs) bands (ev): -2.4476 -2.4476 -2.4372 -2.4372 3.5075 3.5075 3.6485 3.6485 4.6906 4.6906 4.9512 4.9512 5.2127 5.2127 5.3305 5.3305 7.0986 7.0986 7.9790 7.9790 8.1266 8.1266 8.1789 8.1789 8.2571 8.2571 8.2779 8.2779 8.5249 8.5249 8.6758 8.6758 8.7560 8.7560 8.8201 8.8201 9.0727 9.0727 9.1431 9.1431 9.5663 9.5663 9.6277 9.6277 9.7383 9.7383 9.7912 9.7912 11.0503 11.0503 11.1254 11.1254 k = 0.2857 0.4949 1.0688 ( 7594 PWs) bands (ev): -2.4493 -2.4493 -2.4355 -2.4355 3.4837 3.4837 3.6744 3.6744 4.6839 4.6839 4.9587 4.9587 5.1949 5.1949 5.3512 5.3512 7.1027 7.1027 7.9835 7.9835 8.1210 8.1210 8.1875 8.1875 8.2339 8.2339 8.2537 8.2537 8.5238 8.5238 8.6907 8.6907 8.7626 8.7626 8.8454 8.8454 9.0407 9.0407 9.1508 9.1508 9.5820 9.5820 9.6295 9.6295 9.7416 9.7416 9.7946 9.7946 11.0349 11.0349 11.1189 11.1189 k = 0.2738 0.4743 1.0688 ( 7602 PWs) bands (ev): -2.4510 -2.4510 -2.4338 -2.4338 3.4599 3.4599 3.7011 3.7011 4.6761 4.6761 4.9664 4.9664 5.1787 5.1787 5.3721 5.3721 7.1079 7.1079 7.9892 7.9892 8.1162 8.1162 8.1928 8.1928 8.2076 8.2076 8.2241 8.2241 8.5258 8.5258 8.7112 8.7112 8.7707 8.7707 8.8721 8.8721 9.0053 9.0053 9.1601 9.1601 9.5963 9.5963 9.6319 9.6319 9.7465 9.7465 9.7991 9.7991 11.0197 11.0197 11.1037 11.1037 k = 0.2619 0.4536 1.0688 ( 7598 PWs) bands (ev): -2.4527 -2.4527 -2.4321 -2.4321 3.4361 3.4361 3.7284 3.7284 4.6676 4.6676 4.9731 4.9731 5.1652 5.1652 5.3932 5.3932 7.1144 7.1144 7.9961 7.9961 8.1123 8.1123 8.1678 8.1678 8.1871 8.1871 8.2097 8.2097 8.5307 8.5307 8.7351 8.7351 8.7810 8.7810 8.8992 8.8992 8.9682 8.9682 9.1711 9.1711 9.6070 9.6070 9.6358 9.6358 9.7528 9.7528 9.8048 9.8048 11.0042 11.0042 11.0802 11.0802 k = 0.2500 0.4330 1.0688 ( 7594 PWs) bands (ev): -2.4544 -2.4544 -2.4304 -2.4304 3.4125 3.4125 3.7563 3.7563 4.6587 4.6587 4.9773 4.9773 5.1556 5.1556 5.4143 5.4143 7.1220 7.1220 8.0039 8.0039 8.1080 8.1080 8.1313 8.1313 8.1507 8.1507 8.2172 8.2172 8.5382 8.5382 8.7580 8.7580 8.7965 8.7965 8.9231 8.9231 8.9334 8.9334 9.1839 9.1839 9.6124 9.6124 9.6416 9.6416 9.7606 9.7606 9.8119 9.8119 10.9875 10.9875 11.0494 11.0494 k = 0.2381 0.4124 1.0688 ( 7602 PWs) bands (ev): -2.4560 -2.4560 -2.4288 -2.4288 3.3892 3.3892 3.7846 3.7846 4.6499 4.6499 4.9777 4.9777 5.1510 5.1510 5.4354 5.4354 7.1307 7.1307 8.0123 8.0123 8.0853 8.0853 8.1073 8.1073 8.1158 8.1158 8.2254 8.2254 8.5476 8.5476 8.7741 8.7741 8.8218 8.8218 8.8921 8.8921 8.9532 8.9532 9.1985 9.1985 9.6133 9.6133 9.6481 9.6481 9.7700 9.7700 9.8207 9.8207 10.9687 10.9687 11.0128 11.0128 k = 0.2262 0.3918 1.0688 ( 7598 PWs) bands (ev): -2.4575 -2.4575 -2.4273 -2.4273 3.3664 3.3664 3.8130 3.8130 4.6412 4.6412 4.9736 4.9736 5.1519 5.1519 5.4562 5.4562 7.1405 7.1405 8.0201 8.0201 8.0436 8.0436 8.0722 8.0722 8.1101 8.1101 8.2335 8.2335 8.5588 8.5588 8.7840 8.7840 8.8505 8.8505 8.8608 8.8608 8.9781 8.9781 9.2150 9.2150 9.6112 9.6112 9.6535 9.6535 9.7809 9.7809 9.8313 9.8313 10.9461 10.9461 10.9724 10.9724 k = 0.2143 0.3712 1.0688 ( 7602 PWs) bands (ev): -2.4590 -2.4590 -2.4258 -2.4258 3.3441 3.3441 3.8415 3.8415 4.6330 4.6330 4.9654 4.9654 5.1578 5.1578 5.4768 5.4768 7.1513 7.1513 7.9979 7.9979 8.0196 8.0196 8.0440 8.0440 8.1099 8.1099 8.2412 8.2412 8.5712 8.5712 8.7889 8.7889 8.8227 8.8227 8.8938 8.8938 9.0018 9.0018 9.2335 9.2335 9.6068 9.6068 9.6569 9.6569 9.7935 9.7935 9.8439 9.8439 10.9154 10.9154 10.9329 10.9329 k = 0.2024 0.3505 1.0688 ( 7604 PWs) bands (ev): -2.4604 -2.4604 -2.4244 -2.4244 3.3224 3.3224 3.8698 3.8698 4.6252 4.6252 4.9541 4.9541 5.1675 5.1675 5.4969 5.4969 7.1631 7.1631 7.9532 7.9532 7.9856 7.9856 8.0478 8.0478 8.1108 8.1108 8.2485 8.2485 8.5847 8.5847 8.7760 8.7760 8.8088 8.8088 8.9335 8.9335 9.0240 9.0240 9.2539 9.2539 9.6007 9.6007 9.6584 9.6584 9.8081 9.8081 9.8584 9.8584 10.8721 10.8721 10.8987 10.8987 k = 0.1905 0.3299 1.0688 ( 7612 PWs) bands (ev): -2.4617 -2.4617 -2.4230 -2.4230 3.3015 3.3015 3.8977 3.8977 4.6181 4.6181 4.9409 4.9409 5.1798 5.1798 5.5166 5.5166 7.1757 7.1757 7.9082 7.9082 7.9462 7.9462 8.0578 8.0578 8.1127 8.1127 8.2552 8.2552 8.5991 8.5991 8.7473 8.7473 8.8120 8.8120 8.9744 8.9744 9.0446 9.0446 9.2765 9.2765 9.5933 9.5933 9.6580 9.6580 9.8246 9.8246 9.8744 9.8744 10.8231 10.8231 10.8633 10.8633 k = 0.1786 0.3093 1.0688 ( 7604 PWs) bands (ev): -2.4630 -2.4630 -2.4218 -2.4218 3.2815 3.2815 3.9251 3.9251 4.6117 4.6117 4.9268 4.9268 5.1937 5.1937 5.5357 5.5357 7.1892 7.1892 7.8637 7.8637 7.9066 7.9066 8.0685 8.0685 8.1152 8.1152 8.2613 8.2613 8.6143 8.6143 8.7182 8.7182 8.8174 8.8174 9.0148 9.0148 9.0644 9.0644 9.3010 9.3010 9.5850 9.5850 9.6564 9.6564 9.8433 9.8433 9.8918 9.8918 10.7720 10.7720 10.8234 10.8234 k = 0.1667 0.2887 1.0688 ( 7596 PWs) bands (ev): -2.4642 -2.4642 -2.4206 -2.4206 3.2624 3.2624 3.9518 3.9518 4.6060 4.6060 4.9125 4.9125 5.2083 5.2083 5.5541 5.5541 7.2034 7.2034 7.8202 7.8202 7.8677 7.8677 8.0793 8.0793 8.1184 8.1184 8.2668 8.2668 8.6301 8.6301 8.6910 8.6910 8.8230 8.8230 9.0502 9.0502 9.0871 9.0871 9.3275 9.3275 9.5763 9.5763 9.6541 9.6541 9.8641 9.8641 9.9102 9.9102 10.7195 10.7195 10.7788 10.7788 k = 0.1548 0.2681 1.0688 ( 7600 PWs) bands (ev): -2.4652 -2.4652 -2.4195 -2.4195 3.2442 3.2442 3.9774 3.9774 4.6010 4.6010 4.8985 4.8985 5.2231 5.2231 5.5717 5.5717 7.2182 7.2182 7.7779 7.7779 7.8297 7.8297 8.0899 8.0899 8.1221 8.1221 8.2716 8.2716 8.6465 8.6465 8.6665 8.6665 8.8286 8.8286 9.0728 9.0728 9.1200 9.1200 9.3559 9.3559 9.5674 9.5674 9.6518 9.6518 9.8869 9.8869 9.9295 9.9295 10.6663 10.6663 10.7297 10.7297 k = 0.1429 0.2474 1.0688 ( 7596 PWs) bands (ev): -2.4662 -2.4662 -2.4185 -2.4185 3.2272 3.2272 4.0018 4.0018 4.5967 4.5967 4.8852 4.8852 5.2377 5.2377 5.5885 5.5885 7.2337 7.2337 7.7373 7.7373 7.7927 7.7927 8.0998 8.0998 8.1261 8.1261 8.2756 8.2756 8.6440 8.6440 8.6641 8.6641 8.8340 8.8340 9.0846 9.0846 9.1602 9.1602 9.3862 9.3862 9.5591 9.5591 9.6503 9.6503 9.9116 9.9116 9.9496 9.9496 10.6125 10.6125 10.6766 10.6766 k = 0.1310 0.2268 1.0688 ( 7596 PWs) bands (ev): -2.4672 -2.4672 -2.4176 -2.4176 3.2113 3.2113 4.0249 4.0249 4.5932 4.5932 4.8728 4.8728 5.2518 5.2518 5.6043 5.6043 7.2496 7.2496 7.6986 7.6986 7.7571 7.7571 8.1090 8.1090 8.1306 8.1306 8.2789 8.2789 8.6250 8.6250 8.6816 8.6816 8.8392 8.8392 9.0906 9.0906 9.2023 9.2023 9.4180 9.4180 9.5516 9.5516 9.6501 9.6501 9.9375 9.9375 9.9707 9.9707 10.5585 10.5585 10.6204 10.6204 k = 0.1190 0.2062 1.0688 ( 7608 PWs) bands (ev): -2.4680 -2.4680 -2.4168 -2.4168 3.1966 3.1966 4.0463 4.0463 4.5903 4.5903 4.8615 4.8615 5.2651 5.2651 5.6190 5.6190 7.2660 7.2660 7.6621 7.6621 7.7228 7.7228 8.1174 8.1174 8.1352 8.1352 8.2813 8.2813 8.6087 8.6087 8.6998 8.6998 8.8442 8.8442 9.0922 9.0922 9.2443 9.2443 9.4513 9.4513 9.5454 9.5454 9.6520 9.6520 9.9637 9.9637 9.9937 9.9937 10.5043 10.5043 10.5621 10.5621 k = 0.1071 0.1856 1.0688 ( 7616 PWs) bands (ev): -2.4687 -2.4687 -2.4160 -2.4160 3.1832 3.1832 4.0660 4.0660 4.5881 4.5881 4.8513 4.8513 5.2776 5.2776 5.6326 5.6326 7.2828 7.2828 7.6281 7.6281 7.6899 7.6899 8.1248 8.1248 8.1399 8.1399 8.2830 8.2830 8.5950 8.5950 8.7185 8.7185 8.8491 8.8491 9.0897 9.0897 9.2852 9.2852 9.4851 9.4851 9.5415 9.5415 9.6565 9.6565 9.9887 9.9887 10.0198 10.0198 10.4502 10.4502 10.5026 10.5026 k = 0.0952 0.1650 1.0688 ( 7608 PWs) bands (ev): -2.4694 -2.4694 -2.4154 -2.4154 3.1710 3.1710 4.0838 4.0838 4.5865 4.5865 4.8424 4.8424 5.2889 5.2889 5.6450 5.6450 7.2999 7.2999 7.5969 7.5969 7.6586 7.6586 8.1312 8.1312 8.1447 8.1447 8.2840 8.2840 8.5839 8.5839 8.7377 8.7377 8.8537 8.8537 9.0836 9.0836 9.3241 9.3241 9.5154 9.5154 9.5438 9.5438 9.6642 9.6642 10.0114 10.0114 10.0499 10.0499 10.3961 10.3961 10.4431 10.4431 k = 0.0833 0.1443 1.0688 ( 7622 PWs) bands (ev): -2.4700 -2.4700 -2.4148 -2.4148 3.1602 3.1602 4.0996 4.0996 4.5854 4.5854 4.8347 4.8347 5.2991 5.2991 5.6561 5.6561 7.3174 7.3174 7.5687 7.5687 7.6287 7.6287 8.1367 8.1367 8.1492 8.1492 8.2843 8.2843 8.5750 8.5750 8.7571 8.7571 8.8580 8.8580 9.0741 9.0741 9.3603 9.3603 9.5274 9.5274 9.5667 9.5667 9.6754 9.6754 10.0326 10.0326 10.0830 10.0830 10.3421 10.3421 10.3849 10.3849 k = 0.0714 0.1237 1.0688 ( 7612 PWs) bands (ev): -2.4705 -2.4705 -2.4143 -2.4143 3.1508 3.1508 4.1132 4.1132 4.5848 4.5848 4.8282 4.8282 5.3080 5.3080 5.6659 5.6659 7.3351 7.3351 7.5437 7.5437 7.6002 7.6002 8.1413 8.1413 8.1534 8.1534 8.2841 8.2841 8.5680 8.5680 8.7768 8.7768 8.8621 8.8621 9.0618 9.0618 9.3928 9.3928 9.5302 9.5302 9.6009 9.6009 9.6906 9.6906 10.0529 10.0529 10.1182 10.1182 10.2885 10.2885 10.3293 10.3293 k = 0.0595 0.1031 1.0688 ( 7612 PWs) bands (ev): -2.4709 -2.4709 -2.4139 -2.4139 3.1427 3.1427 4.1248 4.1248 4.5845 4.5845 4.8228 4.8228 5.3157 5.3157 5.6743 5.6743 7.3531 7.3531 7.5222 7.5222 7.5733 7.5733 8.1452 8.1452 8.1571 8.1571 8.2836 8.2836 8.5628 8.5628 8.7963 8.7963 8.8661 8.8661 9.0472 9.0472 9.4202 9.4202 9.5334 9.5334 9.6355 9.6355 9.7101 9.7101 10.0730 10.0730 10.1541 10.1541 10.2355 10.2355 10.2780 10.2780 k = 0.0476 0.0825 1.0688 ( 7620 PWs) bands (ev): -2.4712 -2.4712 -2.4136 -2.4136 3.1361 3.1361 4.1342 4.1342 4.5844 4.5844 4.8186 4.8186 5.3220 5.3220 5.6812 5.6812 7.3714 7.3714 7.5043 7.5043 7.5478 7.5478 8.1484 8.1484 8.1603 8.1603 8.2829 8.2829 8.5589 8.5589 8.8150 8.8150 8.8702 8.8702 9.0311 9.0311 9.4417 9.4417 9.5387 9.5387 9.6676 9.6676 9.7341 9.7341 10.0932 10.0932 10.1835 10.1835 10.1886 10.1886 10.2342 10.2342 k = 0.0357 0.0619 1.0688 ( 7640 PWs) bands (ev): -2.4715 -2.4715 -2.4133 -2.4133 3.1310 3.1310 4.1415 4.1415 4.5845 4.5845 4.8154 4.8154 5.3269 5.3269 5.6866 5.6866 7.3898 7.3898 7.4902 7.4902 7.5238 7.5238 8.1508 8.1508 8.1628 8.1628 8.2821 8.2821 8.5562 8.5562 8.8319 8.8319 8.8747 8.8747 9.0145 9.0145 9.4568 9.4568 9.5455 9.5455 9.6952 9.6952 9.7616 9.7616 10.1116 10.1116 10.1387 10.1387 10.1841 10.1841 10.2320 10.2320 k = 0.0238 0.0412 1.0688 ( 7636 PWs) bands (ev): -2.4717 -2.4717 -2.4131 -2.4131 3.1273 3.1273 4.1467 4.1467 4.5846 4.5846 4.8131 4.8131 5.3305 5.3305 5.6905 5.6905 7.4081 7.4081 7.4799 7.4799 7.5016 7.5016 8.1526 8.1526 8.1646 8.1646 8.2814 8.2814 8.5544 8.5544 8.8449 8.8449 8.8806 8.8806 8.9990 8.9990 9.4661 9.4661 9.5526 9.5526 9.7168 9.7168 9.7894 9.7894 10.0929 10.0929 10.1357 10.1357 10.1547 10.1547 10.2593 10.2593 k = 0.0119 0.0206 1.0688 ( 7628 PWs) bands (ev): -2.4718 -2.4718 -2.4130 -2.4130 3.1250 3.1250 4.1498 4.1498 4.5847 4.5847 4.8118 4.8118 5.3326 5.3326 5.6929 5.6929 7.4250 7.4250 7.4735 7.4735 7.4826 7.4826 8.1537 8.1537 8.1657 8.1657 8.2809 8.2809 8.5533 8.5533 8.8524 8.8524 8.8870 8.8870 8.9869 8.9869 9.4710 9.4710 9.5578 9.5578 9.7310 9.7310 9.8118 9.8118 10.0640 10.0640 10.1334 10.1334 10.1516 10.1516 10.2765 10.2765 k = 0.0000 0.0000 1.0688 ( 7648 PWs) bands (ev): -2.4718 -2.4718 -2.4130 -2.4130 3.1243 3.1243 4.1508 4.1508 4.5848 4.5848 4.8114 4.8114 5.3333 5.3333 5.6937 5.6937 7.4341 7.4341 7.4698 7.4698 7.4743 7.4743 8.1541 8.1541 8.1661 8.1661 8.2808 8.2808 8.5530 8.5530 8.8547 8.8547 8.8901 8.8901 8.9821 8.9821 9.4725 9.4725 9.5597 9.5597 9.7360 9.7360 9.8207 9.8207 10.0527 10.0527 10.1263 10.1263 10.1580 10.1580 10.2786 10.2786 k = 0.5000 0.2887 1.0688 ( 7584 PWs) bands (ev): -2.4565 -2.4565 -2.4283 -2.4283 3.4121 3.4121 3.7566 3.7566 4.6404 4.6404 5.0477 5.0477 5.0915 5.0915 5.4299 5.4299 7.1355 7.1355 8.0048 8.0048 8.1151 8.1151 8.1585 8.1585 8.2149 8.2149 8.2587 8.2587 8.3768 8.3768 8.6134 8.6134 8.7981 8.7981 8.9065 8.9065 9.0099 9.0099 9.1338 9.1338 9.6538 9.6538 9.6958 9.6958 9.7852 9.7852 9.8757 9.8757 10.8640 10.8640 11.2586 11.2586 k = 0.5000 0.2887 1.0446 ( 7574 PWs) bands (ev): -2.4577 -2.4575 -2.4299 -2.4297 3.4131 3.4182 3.7531 3.7651 4.6325 4.6477 5.0450 5.0468 5.0910 5.0918 5.4274 5.4306 7.1335 7.1353 8.0041 8.0058 8.1153 8.1160 8.1587 8.1587 8.2152 8.2157 8.2566 8.2573 8.3777 8.3792 8.6141 8.6141 8.7939 8.7985 8.9054 8.9067 9.0083 9.0146 9.1349 9.1365 9.6356 9.6593 9.6898 9.6944 9.7884 9.8049 9.8746 9.8771 10.8606 10.8621 11.2572 11.2579 k = 0.5000 0.2887 1.0203 ( 7582 PWs) bands (ev): -2.4612 -2.4607 -2.4347 -2.4343 3.4214 3.4315 3.7545 3.7789 4.6240 4.6546 5.0384 5.0428 5.0898 5.0922 5.4230 5.4295 7.1293 7.1330 8.0035 8.0070 8.1166 8.1179 8.1591 8.1595 8.2165 8.2174 8.2516 8.2525 8.3819 8.3848 8.6162 8.6163 8.7862 8.7951 8.9036 8.9061 9.0100 9.0224 9.1400 9.1430 9.6101 9.6451 9.6865 9.6922 9.8092 9.8315 9.8775 9.8806 10.8520 10.8549 11.2539 11.2552 k = 0.5000 0.2887 0.9960 ( 7588 PWs) bands (ev): -2.4670 -2.4662 -2.4426 -2.4419 3.4367 3.4520 3.7608 3.7977 4.6149 4.6612 5.0277 5.0356 5.0877 5.0931 5.4168 5.4271 7.1231 7.1284 8.0029 8.0084 8.1194 8.1213 8.1591 8.1608 8.2185 8.2197 8.2447 8.2448 8.3888 8.3931 8.6194 8.6197 8.7754 8.7884 8.9010 8.9047 9.0147 9.0327 9.1490 9.1532 9.5821 9.6187 9.6899 9.6921 9.8287 9.8433 9.8937 9.8987 10.8384 10.8429 11.2486 11.2505 k = 0.5000 0.2887 0.9717 ( 7586 PWs) bands (ev): -2.4749 -2.4739 -2.4534 -2.4525 3.4589 3.4795 3.7715 3.8216 4.6052 4.6677 5.0129 5.0251 5.0846 5.0944 5.4089 5.4239 7.1148 7.1218 8.0021 8.0097 8.1238 8.1265 8.1584 8.1621 8.2208 8.2221 8.2351 8.2375 8.3977 8.4032 8.6235 8.6241 8.7624 8.7790 8.8977 8.9025 9.0221 9.0450 9.1621 9.1669 9.5540 9.5898 9.6938 9.6952 9.8345 9.8396 9.9235 9.9365 10.8205 10.8266 11.2414 11.2438 k = 0.5000 0.2887 0.9474 ( 7594 PWs) bands (ev): -2.4849 -2.4837 -2.4671 -2.4659 3.4878 3.5138 3.7863 3.8504 4.5949 4.6743 4.9942 5.0110 5.0809 5.0959 5.3997 5.4201 7.1045 7.1131 8.0010 8.0107 8.1288 8.1340 8.1570 8.1626 8.2221 8.2228 8.2275 8.2323 8.4073 8.4138 8.6282 8.6294 8.7483 8.7682 8.8937 8.8995 9.0314 9.0585 9.1790 9.1840 9.5270 9.5612 9.6973 9.7017 9.8310 9.8310 9.9639 9.9794 10.7987 10.8066 11.2323 11.2351 k = 0.5000 0.2887 0.9231 ( 7600 PWs) bands (ev): -2.4969 -2.4955 -2.4835 -2.4821 3.5231 3.5549 3.8048 3.8839 4.5841 4.6813 4.9716 4.9931 5.0767 5.0977 5.3896 5.4165 7.0924 7.1023 7.9993 8.0112 8.1299 8.1437 8.1583 8.1605 8.2153 8.2240 8.2288 8.2313 8.4160 8.4235 8.6333 8.6352 8.7345 8.7573 8.8892 8.8959 9.0422 9.0725 9.1994 9.2041 9.5013 9.5334 9.7023 9.7089 9.8207 9.8240 10.0085 10.0241 10.7739 10.7835 11.2212 11.2244 k = 0.5000 0.2887 0.8988 ( 7598 PWs) bands (ev): -2.5108 -2.5092 -2.5024 -2.5009 3.5645 3.6023 3.8263 3.9216 4.5731 4.6888 4.9453 4.9714 5.0722 5.0998 5.3788 5.4133 7.0786 7.0897 7.9972 8.0113 8.1223 8.1483 8.1611 8.1674 8.2120 8.2260 8.2313 8.2332 8.4218 8.4303 8.6388 8.6415 8.7230 8.7481 8.8845 8.8918 9.0537 9.0864 9.2229 9.2268 9.4769 9.5068 9.7087 9.7170 9.8102 9.8161 10.0548 10.0692 10.7467 10.7581 11.2082 11.2114 k = 0.5000 0.2887 0.8745 ( 7600 PWs) bands (ev): -2.5267 -2.5249 -2.5236 -2.5219 3.6117 3.6557 3.8504 3.9630 4.5622 4.6971 4.9155 4.9463 5.0674 5.1020 5.3677 5.4110 7.0630 7.0752 7.9946 8.0109 8.1086 8.1368 8.1753 8.1820 8.2136 8.2301 8.2342 8.2363 8.4228 8.4323 8.6445 8.6480 8.7153 8.7425 8.8797 8.8876 9.0653 9.0997 9.2486 9.2516 9.4535 9.4811 9.7165 9.7257 9.8006 9.8088 10.1015 10.1141 10.7175 10.7309 11.1929 11.1961 k = 0.5000 0.2887 0.8502 ( 7598 PWs) bands (ev): -2.5476 -2.5458 -2.5436 -2.5417 3.6640 3.7148 3.8762 4.0075 4.5517 4.7063 4.8828 4.9188 5.0625 5.1044 5.3567 5.4100 7.0459 7.0590 7.9916 8.0100 8.0921 8.1207 8.1927 8.1994 8.2185 8.2353 8.2375 8.2412 8.4175 8.4282 8.6505 8.6546 8.7126 8.7414 8.8752 8.8834 9.0764 9.1118 9.2758 9.2778 9.4311 9.4564 9.7256 9.7347 9.7929 9.8035 10.1479 10.1581 10.6872 10.7025 11.1752 11.1784 k = 0.5000 0.2887 0.8259 ( 7582 PWs) bands (ev): -2.5730 -2.5711 -2.5627 -2.5605 3.7208 3.7789 3.9029 4.0541 4.5423 4.7154 4.8476 4.8909 5.0573 5.1070 5.3459 5.4104 7.0271 7.0410 7.9880 8.0086 8.0743 8.1031 8.2090 8.2164 8.2271 8.2415 8.2424 8.2494 8.4060 8.4177 8.6567 8.6612 8.7149 8.7448 8.8716 8.8799 9.0863 9.1223 9.3038 9.3048 9.4094 9.4326 9.7360 9.7440 9.7883 9.8015 10.1932 10.2006 10.6561 10.6734 11.1551 11.1581 k = 0.5000 0.2887 0.8016 ( 7566 PWs) bands (ev): -2.6003 -2.5982 -2.5830 -2.5807 3.7811 3.8472 3.9300 4.1013 4.5349 4.7220 4.8111 4.8665 5.0520 5.1100 5.3357 5.4124 7.0069 7.0214 7.9838 8.0065 8.0561 8.0851 8.2165 8.2264 8.2434 8.2505 8.2529 8.2620 8.3892 8.4019 8.6629 8.6674 8.7210 8.7517 8.8694 8.8777 9.0948 9.1307 9.3316 9.3321 9.3885 9.4097 9.7476 9.7534 9.7876 9.8036 10.2368 10.2411 10.6249 10.6442 11.1330 11.1357 k = 0.5000 0.2887 0.7773 ( 7578 PWs) bands (ev): -2.6291 -2.6270 -2.6045 -2.6021 3.8432 3.9185 3.9571 4.1476 4.5300 4.7198 4.7752 4.8534 5.0465 5.1135 5.3261 5.4163 6.9853 7.0002 7.9787 8.0034 8.0381 8.0674 8.2175 8.2285 8.2558 8.2656 8.2696 8.2820 8.3695 8.3826 8.6687 8.6730 8.7290 8.7600 8.8692 8.8775 9.1014 9.1369 9.3576 9.3588 9.3696 9.3879 9.7604 9.7635 9.7914 9.8099 10.2781 10.2789 10.5941 10.6153 11.1095 11.1117 k = 0.5000 0.2887 0.7531 ( 7582 PWs) bands (ev): -2.6593 -2.6570 -2.6271 -2.6246 3.9034 3.9862 3.9905 4.1914 4.5273 4.7031 4.7436 4.8590 5.0410 5.1176 5.3174 5.4222 6.9622 6.9775 7.9725 7.9991 8.0206 8.0505 8.2151 8.2269 8.2653 8.2773 8.2909 8.3040 8.3519 8.3642 8.6736 8.6774 8.7370 8.7679 8.8717 8.8803 9.1063 9.1407 9.3483 9.3667 9.3856 9.3861 9.7739 9.7749 9.8003 9.8199 10.3135 10.3164 10.5642 10.5874 11.0857 11.0870 k = 0.5000 0.2887 0.7288 ( 7580 PWs) bands (ev): -2.6905 -2.6883 -2.6506 -2.6480 3.9524 4.0239 4.0588 4.2334 4.5231 4.6752 4.7234 4.8819 5.0358 5.1227 5.3098 5.4304 6.9378 6.9533 7.9648 7.9930 8.0041 8.0348 8.2100 8.2228 8.2732 8.2887 8.2984 8.3121 8.3515 8.3616 8.6770 8.6803 8.7437 8.7738 8.8768 8.8863 9.1097 9.1425 9.3308 9.3481 9.4104 9.4111 9.7874 9.7884 9.8148 9.8330 10.3441 10.3511 10.5360 10.5608 11.0629 11.0629 k = 0.5000 0.2887 0.7045 ( 7574 PWs) bands (ev): -2.7227 -2.7204 -2.6749 -2.6723 3.9818 4.0759 4.1147 4.2790 4.5096 4.6433 4.7245 4.9163 5.0317 5.1292 5.3034 5.4412 6.9121 6.9278 7.9551 7.9846 7.9887 8.0205 8.2022 8.2163 8.2706 8.2946 8.2960 8.3024 8.3733 8.3835 8.6783 8.6810 8.7488 8.7773 8.8843 8.8951 9.1123 9.1431 9.3151 9.3316 9.4343 9.4351 9.8006 9.8038 9.8346 9.8487 10.3700 10.3814 10.5101 10.5362 11.0409 11.0422 k = 0.5000 0.2887 0.6802 ( 7588 PWs) bands (ev): -2.7555 -2.7532 -2.6998 -2.6971 3.9976 4.1324 4.1487 4.3359 4.4830 4.6136 4.7516 4.9556 5.0325 5.1379 5.2988 5.4549 6.8853 6.9010 7.9427 7.9734 7.9747 8.0074 8.1916 8.2073 8.2543 8.2759 8.3023 8.3114 8.4021 8.4132 8.6770 8.6790 8.7524 8.7789 8.8931 8.9055 9.1147 9.1433 9.3021 9.3180 9.4569 9.4578 9.8135 9.8203 9.8584 9.8670 10.3905 10.4068 10.4876 10.5142 11.0223 11.0250 k = 0.5000 0.2887 0.6559 ( 7588 PWs) bands (ev): -2.7888 -2.7865 -2.7251 -2.7224 4.0056 4.1610 4.1818 4.3966 4.4542 4.5925 4.7997 4.9838 5.0528 5.1495 5.2964 5.4723 6.8574 6.8730 7.9273 7.9592 7.9622 7.9953 8.1782 8.1954 8.2366 8.2566 8.3106 8.3210 8.4324 8.4443 8.6725 8.6740 8.7555 8.7797 8.9019 8.9158 9.1179 9.1443 9.2925 9.3080 9.4782 9.4792 9.8263 9.8367 9.8850 9.8878 10.4044 10.4267 10.4699 10.4953 11.0085 11.0122 k = 0.5000 0.2887 0.6316 ( 7582 PWs) bands (ev): -2.8224 -2.8201 -2.7508 -2.7481 4.0080 4.1587 4.2144 4.3874 4.4943 4.5876 4.8617 4.9894 5.1034 5.1651 5.2975 5.4939 6.8285 6.8440 7.9087 7.9418 7.9513 7.9841 8.1623 8.1808 8.2212 8.2398 8.3181 8.3291 8.4621 8.4751 8.6648 8.6659 8.7591 8.7808 8.9096 8.9248 9.1226 9.1467 9.2872 9.3023 9.4984 9.4993 9.8389 9.8525 9.9110 9.9132 10.4103 10.4410 10.4592 10.4802 11.0005 11.0046 k = 0.5000 0.2887 0.6073 ( 7572 PWs) bands (ev): -2.8561 -2.8538 -2.7767 -2.7740 4.0057 4.1475 4.2237 4.3418 4.5659 4.6039 4.9325 4.9866 5.1696 5.1854 5.3044 5.5205 6.7987 6.8141 7.8867 7.9207 7.9418 7.9739 8.1441 8.1634 8.2090 8.2261 8.3239 8.3352 8.4896 8.5040 8.6540 8.6548 8.7642 8.7833 8.9156 8.9315 9.1290 9.1511 9.2868 9.3014 9.5175 9.5182 9.8513 9.8673 9.9357 9.9420 10.4091 10.4499 10.4560 10.4696 10.9986 11.0024 k = 0.5000 0.2887 0.5830 ( 7578 PWs) bands (ev): -2.8898 -2.8875 -2.8025 -2.7999 3.9995 4.1307 4.2109 4.2922 4.6331 4.6384 4.9824 5.0083 5.2099 5.2441 5.3218 5.5533 6.7683 6.7834 7.8617 7.8959 7.9337 7.9652 8.1237 8.1431 8.2001 8.2157 8.3273 8.3386 8.5134 8.5295 8.6405 8.6414 8.7717 8.7883 8.9196 8.9358 9.1370 9.1575 9.2916 9.3055 9.5358 9.5360 9.8635 9.8812 9.9611 9.9707 10.4055 10.4541 10.4568 10.4644 11.0027 11.0053 k = 0.5000 0.2887 0.5587 ( 7590 PWs) bands (ev): -2.9231 -2.9209 -2.8283 -2.8257 3.9900 4.1102 4.1831 4.2415 4.6823 4.6897 4.9789 5.0841 5.2383 5.3248 5.3560 5.5931 6.7374 6.7522 7.8340 7.8678 7.9271 7.9581 8.1010 8.1202 8.1946 8.2086 8.3275 8.3385 8.5321 8.5501 8.6255 8.6267 8.7822 8.7964 8.9220 8.9377 9.1462 9.1654 9.3015 9.3147 9.5531 9.5537 9.8756 9.8944 9.9864 9.9984 10.4036 10.4557 10.4593 10.4639 11.0123 11.0127 k = 0.5000 0.2887 0.5344 ( 7594 PWs) bands (ev): -2.9561 -2.9539 -2.8539 -2.8513 3.9777 4.0871 4.1467 4.1908 4.7267 4.7330 4.9780 5.1474 5.2804 5.4101 5.4105 5.6412 6.7061 6.7207 7.8041 7.8370 7.9219 7.9526 8.0760 8.0946 8.1923 8.2046 8.3239 8.3343 8.5446 8.5645 8.6101 8.6116 8.7954 8.8078 8.9240 8.9384 9.1556 9.1739 9.3163 9.3287 9.5703 9.5721 9.8879 9.9073 10.0113 10.0251 10.4048 10.4576 10.4633 10.4670 11.0236 11.0262 k = 0.5000 0.2887 0.5101 ( 7584 PWs) bands (ev): -2.9885 -2.9864 -2.8791 -2.8765 3.9629 4.0619 4.1059 4.1410 4.7632 4.7648 4.9816 5.1829 5.3526 5.4811 5.5004 5.6981 6.6747 6.6890 7.7725 7.8044 7.9180 7.9485 8.0489 8.0667 8.1928 8.2033 8.3159 8.3253 8.5507 8.5721 8.5959 8.5976 8.8092 8.8210 8.9273 8.9392 9.1642 9.1819 9.3355 9.3471 9.5884 9.5917 9.9005 9.9201 10.0354 10.0505 10.4094 10.4590 10.4698 10.4758 11.0373 11.0437 k = 0.5000 0.2887 0.4858 ( 7592 PWs) bands (ev): -3.0203 -3.0182 -2.9038 -2.9013 3.9460 4.0346 4.0634 4.0931 4.7823 4.7923 4.9912 5.1981 5.4487 5.5644 5.5937 5.7644 6.6434 6.6574 7.7397 7.7705 7.9154 7.9456 8.0202 8.0369 8.1955 8.2043 8.3033 8.3112 8.5507 8.5716 8.5853 8.5854 8.8205 8.8332 8.9342 8.9424 9.1709 9.1883 9.3589 9.3696 9.6085 9.6135 9.9138 9.9334 10.0588 10.0747 10.4167 10.4608 10.4801 10.4902 11.0528 11.0635 k = 0.5000 0.2887 0.4615 ( 7606 PWs) bands (ev): -3.0512 -3.0492 -2.9280 -2.9256 3.9272 4.0041 4.0208 4.0488 4.7928 4.8080 5.0068 5.2048 5.5569 5.6565 5.6898 5.8397 6.6124 6.6261 7.7062 7.7360 7.9138 7.9428 7.9913 8.0055 8.2002 8.2074 8.2862 8.2924 8.5461 8.5637 8.5751 8.5792 8.8262 8.8408 8.9466 8.9501 9.1748 9.1920 9.3859 9.3959 9.6317 9.6384 9.9283 9.9475 10.0819 10.0983 10.4263 10.4644 10.4950 10.5094 11.0697 11.0847 k = 0.5000 0.2887 0.4373 ( 7598 PWs) bands (ev): -3.0811 -3.0792 -2.9515 -2.9492 3.9061 3.9688 3.9796 4.0104 4.7971 4.8137 5.0261 5.2081 5.6713 5.7548 5.7878 5.9236 6.5820 6.5955 7.6725 7.7012 7.9130 7.9359 7.9667 7.9732 8.2061 8.2121 8.2654 8.2696 8.5390 8.5541 8.5654 8.5728 8.8255 8.8419 8.9629 8.9639 9.1754 9.1923 9.4165 9.4258 9.6588 9.6670 9.9443 9.9629 10.1051 10.1216 10.4380 10.4704 10.5146 10.5327 11.0879 11.1068 k = 0.5000 0.2887 0.4130 ( 7594 PWs) bands (ev): -3.1101 -3.1082 -2.9743 -2.9720 3.8821 3.9289 3.9415 3.9782 4.7969 4.8126 5.0462 5.2095 5.7887 5.8580 5.8869 6.0147 6.5526 6.5659 7.6389 7.6667 7.9116 7.9145 7.9415 7.9572 8.2118 8.2175 8.2430 8.2445 8.5310 8.5449 8.5554 8.5645 8.8196 8.8371 8.9787 8.9836 9.1723 9.1890 9.4504 9.4591 9.6901 9.6996 9.9623 9.9800 10.1289 10.1452 10.4518 10.4794 10.5385 10.5593 11.1074 11.1290 k = 0.5000 0.2887 0.3887 ( 7598 PWs) bands (ev): -3.1378 -3.1361 -2.9962 -2.9940 3.8540 3.8873 3.9083 3.9499 4.7935 4.8074 5.0654 5.2101 5.9064 5.9655 5.9862 6.1119 6.5246 6.5379 7.6057 7.6326 7.8844 7.8984 7.9217 7.9570 8.2056 8.2107 8.2309 8.2316 8.5227 8.5362 8.5448 8.5548 8.8098 8.8280 8.9950 9.0033 9.1656 9.1821 9.4876 9.4956 9.7256 9.7360 9.9825 9.9993 10.1539 10.1696 10.4681 10.4917 10.5658 10.5886 11.1279 11.1512 k = 0.5000 0.2887 0.3644 ( 7598 PWs) bands (ev): -3.1643 -3.1627 -3.0171 -3.0151 3.8219 3.8461 3.8807 3.9236 4.7880 4.7996 5.0827 5.2100 6.0212 6.0774 6.0843 6.2135 6.4989 6.5126 7.5732 7.5993 7.8525 7.8680 7.9195 7.9594 8.1811 8.1837 8.2379 8.2383 8.5144 8.5276 8.5335 8.5441 8.7973 8.8158 9.0095 9.0211 9.1558 9.1719 9.5277 9.5352 9.7650 9.7758 10.0053 10.0209 10.1804 10.1954 10.4871 10.5072 10.5958 10.6199 11.1487 11.1725 k = 0.5000 0.2887 0.3401 ( 7598 PWs) bands (ev): -3.1895 -3.1880 -3.0371 -3.0351 3.7877 3.8062 3.8572 3.8988 4.7809 4.7905 5.0978 5.2094 6.1306 6.1791 6.1925 6.3170 6.4776 6.4928 7.5417 7.5670 7.8207 7.8353 7.9196 7.9627 8.1534 8.1552 8.2478 8.2490 8.5059 8.5187 8.5219 8.5331 8.7826 8.8014 9.0211 9.0359 9.1432 9.1591 9.5704 9.5775 9.8075 9.8183 10.0307 10.0450 10.2088 10.2228 10.5090 10.5259 10.6278 10.6528 11.1685 11.1918 k = 0.5000 0.2887 0.3158 ( 7606 PWs) bands (ev): -3.2133 -3.2118 -3.0559 -3.0541 3.7533 3.7682 3.8363 3.8752 4.7729 4.7807 5.1109 5.2086 6.2318 6.2651 6.3049 6.4135 6.4680 6.4911 7.5113 7.5359 7.7895 7.8030 7.9189 7.9657 8.1260 8.1280 8.2590 8.2610 8.4972 8.5091 8.5103 8.5224 8.7663 8.7854 9.0290 9.0468 9.1283 9.1441 9.6151 9.6220 9.8525 9.8629 10.0590 10.0718 10.2393 10.2521 10.5336 10.5478 10.6612 10.6868 11.1855 11.2068 k = 0.5000 0.2887 0.2915 ( 7602 PWs) bands (ev): -3.2356 -3.2342 -3.0736 -3.0720 3.7200 3.7324 3.8173 3.8529 4.7643 4.7706 5.1221 5.2075 6.3115 6.3263 6.3967 6.4691 6.4996 6.5557 7.4822 7.5062 7.7595 7.7717 7.9161 7.9674 8.1008 8.1037 8.2711 8.2742 8.4879 8.4987 8.4994 8.5125 8.7487 8.7682 9.0327 9.0534 9.1119 9.1276 9.6612 9.6679 9.8990 9.9086 10.0900 10.1012 10.2719 10.2833 10.5609 10.5727 10.6955 10.7216 11.1964 11.2135 k = 0.5000 0.2887 0.2672 ( 7596 PWs) bands (ev): -3.2563 -3.2551 -3.0901 -3.0886 3.6885 3.6989 3.7996 3.8318 4.7556 4.7605 5.1317 5.2062 6.3389 6.3444 6.4763 6.5285 6.5936 6.6583 7.4546 7.4781 7.7309 7.7418 7.9099 7.9657 8.0799 8.0838 8.2841 8.2881 8.4780 8.4876 8.4897 8.5037 8.7301 8.7500 9.0322 9.0551 9.0947 9.1102 9.7080 9.7146 9.9463 9.9546 10.1237 10.1332 10.3063 10.3163 10.5906 10.6001 10.7306 10.7572 11.1955 11.2068 k = 0.5000 0.2887 0.2429 ( 7594 PWs) bands (ev): -3.2754 -3.2743 -3.1054 -3.1039 3.6590 3.6679 3.7834 3.8122 4.7469 4.7507 5.1400 5.2047 6.3329 6.3376 6.5658 6.6064 6.7071 6.7645 7.4286 7.4516 7.7041 7.7136 7.8992 7.9583 8.0657 8.0694 8.2979 8.3028 8.4674 8.4763 8.4816 8.4958 8.7108 8.7312 9.0274 9.0505 9.0789 9.0925 9.7545 9.7612 9.9935 10.0003 10.1599 10.1675 10.3418 10.3504 10.6225 10.6299 10.7661 10.7934 11.1783 11.1852 k = 0.5000 0.2887 0.2186 ( 7594 PWs) bands (ev): -3.2928 -3.2918 -3.1193 -3.1180 3.6320 3.6395 3.7685 3.7940 4.7384 4.7414 5.1472 5.2031 6.3190 6.3235 6.6562 6.6880 6.8224 6.8692 7.4043 7.4269 7.6792 7.6873 7.8836 7.9440 8.0592 8.0609 8.3123 8.3181 8.4568 8.4651 8.4752 8.4890 8.6909 8.7119 9.0181 9.0374 9.0668 9.0751 9.8000 9.8067 10.0400 10.0451 10.1982 10.2039 10.3772 10.3846 10.6562 10.6617 10.8021 10.8303 11.1480 11.1531 k = 0.5000 0.2887 0.1943 ( 7582 PWs) bands (ev): -3.3086 -3.3076 -3.1318 -3.1307 3.6074 3.6139 3.7551 3.7774 4.7304 4.7327 5.1534 5.2013 6.3037 6.3079 6.7433 6.7678 6.9352 6.9706 7.3819 7.4041 7.6564 7.6632 7.8639 7.9241 8.0574 8.0589 8.3273 8.3338 8.4465 8.4544 8.4704 8.4834 8.6708 8.6924 9.0047 9.0182 9.0572 9.0587 9.8434 9.8501 10.0852 10.0886 10.2381 10.2420 10.4107 10.4173 10.6913 10.6950 10.8386 10.8682 11.1120 11.1169 k = 0.5000 0.2887 0.1700 ( 7590 PWs) bands (ev): -3.3225 -3.3217 -3.1430 -3.1420 3.5856 3.5910 3.7431 3.7624 4.7230 4.7248 5.1588 5.1994 6.2890 6.2928 6.8252 6.8431 7.0436 7.0673 7.3613 7.3833 7.6359 7.6413 7.8412 7.9007 8.0577 8.0623 8.3428 8.3499 8.4370 8.4445 8.4676 8.4791 8.6507 8.6729 8.9878 8.9962 9.0435 9.0475 9.8839 9.8904 10.1289 10.1305 10.2788 10.2811 10.4397 10.4461 10.7275 10.7297 10.8755 10.9070 11.0767 11.0824 k = 0.5000 0.2887 0.1458 ( 7594 PWs) bands (ev): -3.3347 -3.3340 -3.1527 -3.1519 3.5665 3.5710 3.7328 3.7491 4.7164 4.7177 5.1635 5.1974 6.2756 6.2790 6.9007 6.9125 7.1457 7.1579 7.3429 7.3646 7.6179 7.6220 7.8165 7.8751 8.0603 8.0672 8.3586 8.3659 8.4288 8.4355 8.4667 8.4763 8.6310 8.6534 8.9685 8.9733 9.0297 9.0369 9.9207 9.9270 10.1707 10.1709 10.3191 10.3203 10.4615 10.4681 10.7646 10.7656 10.9129 10.9460 11.0471 11.0548 k = 0.5000 0.2887 0.1215 ( 7598 PWs) bands (ev): -3.3450 -3.3444 -3.1610 -3.1603 3.5503 3.5540 3.7241 3.7376 4.7106 4.7116 5.1677 5.1954 6.2639 6.2668 6.9687 6.9750 7.2390 7.2399 7.3278 7.3492 7.6023 7.6053 7.7905 7.8480 8.0643 8.0725 8.3742 8.3811 8.4225 8.4278 8.4678 8.4750 8.6118 8.6344 8.9480 8.9504 9.0172 9.0258 9.9532 9.9589 10.2098 10.2108 10.3575 10.3580 10.4735 10.4809 10.8024 10.8028 10.9496 10.9798 11.0280 11.0424 k = 0.5000 0.2887 0.0972 ( 7594 PWs) bands (ev): -3.3535 -3.3530 -3.1678 -3.1672 3.5370 3.5399 3.7172 3.7278 4.7058 4.7065 5.1715 5.1932 6.2542 6.2566 7.0280 7.0295 7.2977 7.3012 7.3402 7.3482 7.5894 7.5914 7.7638 7.8192 8.0690 8.0773 8.3888 8.3936 8.4198 8.4224 8.4706 8.4749 8.5939 8.6159 8.9279 8.9288 9.0063 9.0149 9.9808 9.9857 10.2474 10.2491 10.3916 10.3926 10.4747 10.4829 10.8409 10.8416 10.9790 10.9930 11.0276 11.0613 k = 0.5000 0.2887 0.0729 ( 7590 PWs) bands (ev): -3.3601 -3.3598 -3.1731 -3.1726 3.5267 3.5288 3.7120 3.7199 4.7019 4.7024 5.1749 5.1910 6.2466 6.2485 7.0752 7.0775 7.2916 7.3057 7.3964 7.4087 7.5792 7.5803 7.7374 7.7889 8.0736 8.0811 8.3989 8.3991 8.4222 8.4246 8.4743 8.4756 8.5782 8.5984 8.9096 8.9096 8.9975 9.0050 10.0029 10.0068 10.2838 10.2859 10.4178 10.4212 10.4663 10.4764 10.8803 10.8824 10.9913 10.9934 11.0544 11.1009 k = 0.5000 0.2887 0.0486 ( 7598 PWs) bands (ev): -3.3648 -3.3646 -3.1769 -3.1766 3.5194 3.5208 3.7086 3.7139 4.6992 4.6995 5.1780 5.1886 6.2413 6.2425 7.1112 7.1154 7.2817 7.2945 7.4511 7.4694 7.5717 7.5723 7.7137 7.7573 8.0778 8.0834 8.3991 8.4009 8.4301 8.4344 8.4764 8.4774 8.5662 8.5827 8.8943 8.8947 8.9912 8.9967 10.0192 10.0219 10.3191 10.3212 10.4271 10.4333 10.4591 10.4702 10.9200 10.9254 10.9935 10.9984 11.0922 11.1456 k = 0.5000 0.2887 0.0243 ( 7588 PWs) bands (ev): -3.3676 -3.3675 -3.1791 -3.1789 3.5151 3.5158 3.7071 3.7097 4.6975 4.6977 5.1809 5.1862 6.2381 6.2387 7.1358 7.1393 7.2755 7.2834 7.4944 7.5095 7.5672 7.5674 7.6991 7.7266 8.0812 8.0842 8.3984 8.3997 8.4399 8.4426 8.4769 8.4784 8.5603 8.5699 8.8845 8.8848 8.9879 8.9908 10.0294 10.0307 10.3528 10.3548 10.4121 10.4150 10.4681 10.4729 10.9572 10.9686 10.9928 11.0062 11.0972 11.1005 k = 0.5000 0.2887-0.0000 ( 7588 PWs) bands (ev): -3.3685 -3.3685 -3.1798 -3.1798 3.5139 3.5139 3.7075 3.7075 4.6970 4.6970 5.1837 5.1837 6.2373 6.2373 7.1462 7.1462 7.2760 7.2760 7.5177 7.5177 7.5658 7.5658 7.7035 7.7035 8.0834 8.0834 8.3986 8.3986 8.4450 8.4450 8.4776 8.4776 8.5617 8.5617 8.8812 8.8812 8.9878 8.9878 10.0332 10.0332 10.3819 10.3819 10.3895 10.3895 10.4741 10.4741 10.9817 10.9817 11.0051 11.0051 11.0744 11.0744 k = 0.3333 0.5774-0.0000 ( 7590 PWs) bands (ev): -3.2741 -3.2741 -3.2740 -3.2740 3.2760 3.2760 4.1117 4.1117 4.4020 4.4020 5.3690 5.3690 6.1397 6.1397 7.3108 7.3108 7.3210 7.3210 7.4157 7.4157 7.6045 7.6045 7.6186 7.6186 8.2633 8.2633 8.3198 8.3198 8.3376 8.3376 8.4996 8.4996 8.5294 8.5294 8.9368 8.9368 8.9908 8.9908 10.2783 10.2783 10.3990 10.3990 10.4202 10.4202 10.4417 10.4417 10.6148 10.6148 10.6550 10.6550 10.7968 10.7968 k = 0.3333 0.5774 0.0243 ( 7584 PWs) bands (ev): -3.2733 -3.2733 -3.2733 -3.2731 3.2775 3.2775 4.1101 4.1148 4.4029 4.4029 5.3688 5.3688 6.1410 6.1410 7.2981 7.3059 7.3139 7.3139 7.4146 7.4146 7.6033 7.6110 7.6219 7.6219 8.2560 8.2699 8.3194 8.3194 8.3370 8.3370 8.5000 8.5000 8.5250 8.5328 8.9374 8.9445 8.9949 8.9949 10.2697 10.2697 10.3898 10.3898 10.4102 10.4108 10.4279 10.4279 10.6292 10.6292 10.6638 10.6671 10.8024 10.8024 k = 0.3333 0.5774 0.0486 ( 7602 PWs) bands (ev): -3.2708 -3.2707 -3.2707 -3.2704 3.2819 3.2819 4.1098 4.1193 4.4053 4.4053 5.3682 5.3682 6.1450 6.1450 7.2688 7.2836 7.2915 7.2915 7.4134 7.4134 7.6076 7.6217 7.6310 7.6310 8.2484 8.2752 8.3182 8.3182 8.3353 8.3353 8.5014 8.5014 8.5203 8.5353 8.9460 8.9598 9.0065 9.0065 10.2453 10.2453 10.3639 10.3639 10.3849 10.3856 10.3949 10.3949 10.6637 10.6637 10.6901 10.6959 10.8174 10.8174 k = 0.3333 0.5774 0.0729 ( 7602 PWs) bands (ev): -3.2665 -3.2664 -3.2664 -3.2660 3.2894 3.2894 4.1109 4.1252 4.4093 4.4093 5.3672 5.3672 6.1515 6.1515 7.2248 7.2455 7.2532 7.2532 7.4151 7.4151 7.6168 7.6351 7.6443 7.6443 8.2408 8.2785 8.3158 8.3158 8.3328 8.3328 8.5043 8.5043 8.5165 8.5375 8.9617 8.9816 9.0249 9.0249 10.2080 10.2080 10.3245 10.3245 10.3507 10.3511 10.3540 10.3540 10.7071 10.7071 10.7269 10.7346 10.8382 10.8382 k = 0.3333 0.5774 0.0972 ( 7602 PWs) bands (ev): -3.2606 -3.2603 -3.2603 -3.2598 3.2998 3.2998 4.1132 4.1324 4.4149 4.4149 5.3659 5.3659 6.1606 6.1606 7.1676 7.1938 7.2002 7.2002 7.4205 7.4205 7.6297 7.6506 7.6604 7.6604 8.2333 8.2793 8.3115 8.3115 8.3304 8.3304 8.5093 8.5093 8.5148 8.5403 8.9831 9.0083 9.0487 9.0487 10.1613 10.1613 10.2751 10.2751 10.3104 10.3104 10.3118 10.3119 10.7536 10.7536 10.7695 10.7784 10.8607 10.8607 k = 0.3333 0.5774 0.1215 ( 7605 PWs) bands (ev): -3.2530 -3.2526 -3.2526 -3.2520 3.3131 3.3131 4.1168 4.1411 4.4220 4.4220 5.3641 5.3641 6.1723 6.1723 7.0987 7.1306 7.1350 7.1350 7.4294 7.4294 7.6456 7.6677 7.6786 7.6786 8.2260 8.2774 8.3051 8.3051 8.3287 8.3287 8.5160 8.5164 8.5164 8.5443 9.0086 9.0385 9.0766 9.0766 10.1082 10.1082 10.2187 10.2187 10.2659 10.2659 10.2700 10.2706 10.8004 10.8004 10.8148 10.8244 10.8812 10.8812 k = 0.3333 0.5774 0.1458 ( 7620 PWs) bands (ev): -3.2437 -3.2432 -3.2432 -3.2425 3.3292 3.3292 4.1215 4.1511 4.4306 4.4306 5.3619 5.3619 6.1863 6.1863 7.0196 7.0576 7.0596 7.0596 7.4413 7.4413 7.6638 7.6863 7.6985 7.6985 8.2189 8.2729 8.2969 8.2969 8.3278 8.3278 8.5205 8.5256 8.5256 8.5500 9.0372 9.0709 9.1072 9.1072 10.0509 10.0509 10.1579 10.1579 10.2210 10.2210 10.2269 10.2278 10.8442 10.8442 10.8606 10.8705 10.8985 10.8985 k = 0.3333 0.5774 0.1700 ( 7614 PWs) bands (ev): -3.2327 -3.2322 -3.2322 -3.2314 3.3482 3.3482 4.1272 4.1624 4.4405 4.4405 5.3593 5.3593 6.2027 6.2027 6.9317 6.9756 6.9756 6.9764 7.4558 7.4558 7.6840 7.7063 7.7200 7.7200 8.2122 8.2665 8.2878 8.2878 8.3276 8.3276 8.5280 8.5366 8.5366 8.5576 9.0677 9.1045 9.1398 9.1398 9.9909 9.9909 10.0944 10.0944 10.1759 10.1759 10.1831 10.1843 10.8773 10.8773 10.9051 10.9149 10.9166 10.9166 k = 0.3333 0.5774 0.1943 ( 7614 PWs) bands (ev): -3.2202 -3.2195 -3.2195 -3.2186 3.3699 3.3699 4.1339 4.1749 4.4517 4.4517 5.3562 5.3562 6.2214 6.2214 6.8363 6.8848 6.8848 6.8884 7.4727 7.4727 7.7061 7.7277 7.7429 7.7429 8.2060 8.2588 8.2786 8.2786 8.3276 8.3276 8.5380 8.5490 8.5490 8.5668 9.0996 9.1388 9.1734 9.1734 9.9293 9.9293 10.0293 10.0293 10.1308 10.1308 10.1391 10.1405 10.8887 10.8887 10.9445 10.9445 10.9459 10.9556 k = 0.3333 0.5774 0.2186 ( 7617 PWs) bands (ev): -3.2060 -3.2053 -3.2053 -3.2043 3.3943 3.3943 4.1414 4.1886 4.4640 4.4640 5.3526 5.3526 6.2420 6.2420 6.7345 6.7885 6.7885 6.7947 7.4919 7.4919 7.7295 7.7501 7.7669 7.7669 8.2007 8.2506 8.2699 8.2699 8.3279 8.3279 8.5498 8.5622 8.5622 8.5775 9.1322 9.1730 9.2075 9.2075 9.8670 9.8670 9.9634 9.9634 10.0860 10.0860 10.0951 10.0967 10.8856 10.8856 10.9739 10.9739 10.9805 10.9906 k = 0.3333 0.5774 0.2429 ( 7605 PWs) bands (ev): -3.1903 -3.1895 -3.1895 -3.1884 3.4213 3.4213 4.1496 4.2033 4.4773 4.4773 5.3484 5.3484 6.2644 6.2644 6.6276 6.6881 6.6881 6.6964 7.5131 7.5131 7.7542 7.7733 7.7919 7.7919 8.1965 8.2426 8.2621 8.2621 8.3283 8.3283 8.5630 8.5761 8.5761 8.5894 9.1651 9.2070 9.2417 9.2417 9.8047 9.8047 9.8975 9.8975 10.0416 10.0416 10.0515 10.0532 10.8751 10.8751 10.9970 10.9970 11.0056 11.0176 k = 0.3333 0.5774 0.2672 ( 7614 PWs) bands (ev): -3.1732 -3.1723 -3.1723 -3.1711 3.4508 3.4508 4.1582 4.2190 4.4915 4.4915 5.3436 5.3436 6.2879 6.2879 6.5166 6.5852 6.5852 6.5946 7.5363 7.5363 7.7797 7.7969 7.8173 7.8173 8.1939 8.2354 8.2557 8.2557 8.3288 8.3288 8.5771 8.5903 8.5903 8.6021 9.1981 9.2403 9.2757 9.2757 9.7427 9.7427 9.8318 9.8318 9.9979 9.9979 10.0086 10.0103 10.8601 10.8601 11.0110 11.0110 11.0187 11.0337 k = 0.3333 0.5774 0.2915 ( 7602 PWs) bands (ev): -3.1545 -3.1536 -3.1536 -3.1523 3.4827 3.4827 4.1672 4.2356 4.5062 4.5062 5.3382 5.3382 6.3103 6.3103 6.4025 6.4830 6.4830 6.4902 7.5612 7.5612 7.8056 7.8203 7.8429 7.8429 8.1933 8.2295 8.2512 8.2512 8.3294 8.3294 8.5917 8.6045 8.6045 8.6153 9.2309 9.2728 9.3092 9.3092 9.6815 9.6815 9.7668 9.7668 9.9552 9.9552 9.9667 9.9684 10.8425 10.8425 11.0151 11.0151 11.0189 11.0363 k = 0.3333 0.5774 0.3158 ( 7614 PWs) bands (ev): -3.1345 -3.1335 -3.1335 -3.1321 3.5168 3.5168 4.1762 4.2529 4.5213 4.5213 5.3320 5.3320 6.2860 6.3148 6.3148 6.3841 6.3991 6.3991 7.5877 7.5877 7.8312 7.8429 7.8679 7.8679 8.1951 8.2254 8.2489 8.2489 8.3299 8.3299 8.6064 8.6186 8.6186 8.6289 9.2631 9.3041 9.3417 9.3417 9.6215 9.6215 9.7028 9.7028 9.9138 9.9138 9.9262 9.9278 10.8233 10.8233 11.0087 11.0098 11.0098 11.0259 k = 0.3333 0.5774 0.3401 ( 7614 PWs) bands (ev): -3.1132 -3.1121 -3.1121 -3.1106 3.5531 3.5531 4.1851 4.2707 4.5365 4.5365 5.3250 5.3250 6.1680 6.2432 6.2432 6.2770 6.3927 6.3927 7.6155 7.6155 7.8561 7.8641 7.8916 7.8916 8.1998 8.2234 8.2493 8.2493 8.3304 8.3304 8.6212 8.6325 8.6325 8.6425 9.2943 9.3339 9.3726 9.3726 9.5629 9.5629 9.6402 9.6402 9.8744 9.8744 9.8876 9.8890 10.8033 10.8033 10.9910 10.9965 10.9965 11.0060 k = 0.3333 0.5774 0.3644 ( 7611 PWs) bands (ev): -3.0906 -3.0894 -3.0894 -3.0879 3.5913 3.5913 4.1934 4.2890 4.5514 4.5514 5.3170 5.3170 6.0492 6.1420 6.1420 6.1699 6.4181 6.4181 7.6446 7.6446 7.8796 7.8832 7.9135 7.9135 8.2076 8.2241 8.2527 8.2527 8.3311 8.3311 8.6359 8.6462 8.6462 8.6562 9.3240 9.3616 9.4012 9.4012 9.5062 9.5062 9.5793 9.5793 9.8374 9.8374 9.8512 9.8526 10.7832 10.7832 10.9687 10.9773 10.9773 10.9805 k = 0.3333 0.5774 0.3887 ( 7617 PWs) bands (ev): -3.0669 -3.0656 -3.0656 -3.0640 3.6314 3.6314 4.2010 4.3074 4.5655 4.5655 5.3078 5.3078 5.9303 6.0387 6.0387 6.0635 6.4487 6.4487 7.6746 7.6746 7.8998 7.9010 7.9329 7.9329 8.2187 8.2277 8.2593 8.2593 8.3318 8.3318 8.6505 8.6596 8.6596 8.6699 9.3512 9.3865 9.4253 9.4253 9.4517 9.4517 9.5212 9.5212 9.8037 9.8037 9.8179 9.8190 10.7630 10.7630 10.9435 10.9517 10.9540 10.9540 k = 0.3333 0.5774 0.4130 ( 7623 PWs) bands (ev): -3.0420 -3.0407 -3.0407 -3.0390 3.6731 3.6731 4.2075 4.3256 4.5783 4.5783 5.2972 5.2972 5.8121 5.9376 5.9376 5.9586 6.4813 6.4813 7.7052 7.7052 7.9136 7.9198 7.9494 7.9494 8.2328 8.2343 8.2690 8.2690 8.3328 8.3328 8.6649 8.6730 8.6730 8.6835 9.3751 9.3990 9.3990 9.4076 9.4353 9.4353 9.4750 9.4750 9.7745 9.7745 9.7883 9.7893 10.7431 10.7431 10.9171 10.9214 10.9284 10.9284 k = 0.3333 0.5774 0.4373 ( 7611 PWs) bands (ev): -3.0162 -3.0148 -3.0148 -3.0130 3.7162 3.7162 4.2123 4.3435 4.5890 4.5890 5.2848 5.2848 5.6951 5.8409 5.8409 5.8559 6.5151 6.5151 7.7361 7.7361 7.9247 7.9357 7.9629 7.9629 8.2439 8.2495 8.2814 8.2814 8.3342 8.3342 8.6792 8.6864 8.6864 8.6974 9.3493 9.3493 9.3943 9.3965 9.3965 9.4236 9.4728 9.4728 9.7514 9.7514 9.7635 9.7643 10.7233 10.7233 10.8907 10.8911 10.9020 10.9020 k = 0.3333 0.5774 0.4615 ( 7611 PWs) bands (ev): -2.9894 -2.9879 -2.9879 -2.9861 3.7604 3.7604 4.2151 4.3606 4.5967 4.5967 5.2704 5.2704 5.5801 5.7504 5.7504 5.7563 6.5496 6.5496 7.7669 7.7669 7.9334 7.9488 7.9736 7.9736 8.2559 8.2679 8.2956 8.2956 8.3364 8.3364 8.6936 8.7001 8.7001 8.7115 9.3025 9.3025 9.3443 9.3443 9.4074 9.4334 9.4778 9.4778 9.7359 9.7359 9.7443 9.7451 10.7033 10.7033 10.8620 10.8657 10.8762 10.8762 k = 0.3333 0.5774 0.4858 ( 7623 PWs) bands (ev): -2.9618 -2.9603 -2.9603 -2.9584 3.8055 3.8055 4.2153 4.3763 4.6002 4.6002 5.2536 5.2536 5.4679 5.6605 5.6681 5.6681 6.5845 6.5845 7.7973 7.7973 7.9403 7.9592 7.9819 7.9819 8.2697 8.2870 8.3103 8.3103 8.3397 8.3397 8.7082 8.7142 8.7142 8.7260 9.2586 9.2586 9.2926 9.2926 9.4133 9.4360 9.4753 9.4753 9.7284 9.7284 9.7311 9.7322 10.6829 10.6829 10.8353 10.8431 10.8524 10.8524 k = 0.3333 0.5774 0.5101 ( 7605 PWs) bands (ev): -2.9336 -2.9320 -2.9320 -2.9301 3.8511 3.8511 4.2123 4.3899 4.5983 4.5983 5.2343 5.2343 5.3596 5.5694 5.5959 5.5959 6.6195 6.6195 7.8268 7.8268 7.9457 7.9674 7.9883 7.9883 8.2843 8.3058 8.3238 8.3238 8.3452 8.3452 8.7230 8.7290 8.7290 8.7413 9.2176 9.2176 9.2430 9.2430 9.4116 9.4315 9.4648 9.4648 9.7236 9.7253 9.7280 9.7280 10.6618 10.6618 10.8122 10.8239 10.8317 10.8317 k = 0.3333 0.5774 0.5344 ( 7611 PWs) bands (ev): -2.9048 -2.9031 -2.9031 -2.9012 3.8967 3.8967 4.2056 4.4005 4.5893 4.5893 5.2131 5.2131 5.2564 5.4839 5.5351 5.5351 6.6544 6.6544 7.8549 7.8549 7.9502 7.9741 7.9935 7.9935 8.2988 8.3234 8.3343 8.3343 8.3539 8.3539 8.7380 8.7444 8.7444 8.7572 9.1788 9.1788 9.1969 9.1969 9.4032 9.4209 9.4480 9.4480 9.7203 9.7233 9.7319 9.7319 10.6396 10.6396 10.7936 10.8092 10.8151 10.8151 k = 0.3333 0.5774 0.5587 ( 7599 PWs) bands (ev): -2.8755 -2.8738 -2.8738 -2.8718 3.9418 3.9418 4.1945 4.4066 4.5722 4.5722 5.1598 5.1917 5.1917 5.4048 5.4860 5.4860 6.6889 6.6889 7.8809 7.8809 7.9542 7.9797 7.9979 7.9979 8.3125 8.3390 8.3425 8.3425 8.3645 8.3645 8.7534 8.7606 8.7606 8.7740 9.1390 9.1390 9.1579 9.1579 9.3893 9.4056 9.4272 9.4272 9.7195 9.7241 9.7376 9.7376 10.6159 10.6159 10.7803 10.7994 10.8035 10.8035 k = 0.3333 0.5774 0.5830 ( 7593 PWs) bands (ev): -2.8459 -2.8442 -2.8442 -2.8422 3.9855 3.9855 4.1785 4.4064 4.5466 4.5466 5.0720 5.1723 5.1723 5.3327 5.4475 5.4475 6.7229 6.7229 7.9046 7.9046 7.9581 7.9847 8.0019 8.0019 8.3245 8.3505 8.3505 8.3522 8.3747 8.3747 8.7688 8.7773 8.7773 8.7913 9.0970 9.0970 9.1273 9.1273 9.3717 9.3872 9.4041 9.4041 9.7194 9.7259 9.7430 9.7430 10.5902 10.5902 10.7730 10.7953 10.7975 10.7975 k = 0.3333 0.5774 0.6073 ( 7593 PWs) bands (ev): -2.8162 -2.8145 -2.8145 -2.8124 4.0264 4.0264 4.1573 4.3975 4.5135 4.5135 4.9955 5.1572 5.1572 5.2684 5.4176 5.4176 6.7561 6.7561 7.9253 7.9253 7.9622 7.9895 8.0060 8.0060 8.3346 8.3592 8.3592 8.3626 8.3835 8.3835 8.7841 8.7939 8.7939 8.8090 9.0556 9.0556 9.1028 9.1028 9.3517 9.3670 9.3801 9.3801 9.7188 9.7271 9.7470 9.7470 10.5623 10.5623 10.7719 10.7967 10.7972 10.7972 k = 0.3333 0.5774 0.6316 ( 7602 PWs) bands (ev): -2.7864 -2.7847 -2.7847 -2.7826 4.0625 4.0625 4.1307 4.3773 4.4762 4.4762 4.9331 5.1474 5.1474 5.2120 5.3943 5.3943 6.7883 6.7883 7.9429 7.9429 7.9667 7.9945 8.0104 8.0104 8.3424 8.3687 8.3687 8.3702 8.3909 8.3909 8.7987 8.8101 8.8101 8.8264 9.0157 9.0157 9.0835 9.0835 9.3305 9.3460 9.3558 9.3558 9.7173 9.7270 9.7490 9.7490 10.5317 10.5317 10.7771 10.8026 10.8026 10.8036 k = 0.3333 0.5774 0.6559 ( 7599 PWs) bands (ev): -2.7568 -2.7550 -2.7550 -2.7530 4.0897 4.0897 4.0989 4.3444 4.4400 4.4400 4.8865 5.1431 5.1431 5.1637 5.3757 5.3757 6.8194 6.8194 7.9572 7.9572 7.9717 7.9999 8.0150 8.0150 8.3479 8.3750 8.3774 8.3774 8.3984 8.3984 8.8123 8.8251 8.8251 8.8429 8.9779 8.9779 9.0693 9.0693 9.3087 9.3247 9.3318 9.3318 9.7147 9.7252 9.7492 9.7492 10.4984 10.4984 10.7879 10.8132 10.8132 10.8156 k = 0.3333 0.5774 0.6802 ( 7596 PWs) bands (ev): -2.7275 -2.7257 -2.7257 -2.7237 4.0623 4.1020 4.1020 4.2991 4.4130 4.4130 4.8556 5.1231 5.1435 5.1435 5.3605 5.3605 6.8492 6.8492 7.9684 7.9684 7.9775 8.0058 8.0200 8.0200 8.3511 8.3773 8.3828 8.3828 8.4087 8.4087 8.8242 8.8381 8.8381 8.8580 8.9423 8.9423 9.0602 9.0602 9.2871 9.3038 9.3085 9.3085 9.7112 9.7221 9.7480 9.7480 10.4620 10.4620 10.8039 10.8283 10.8283 10.8319 k = 0.3333 0.5774 0.7045 ( 7590 PWs) bands (ev): -2.6986 -2.6969 -2.6969 -2.6949 4.0219 4.0935 4.0935 4.2438 4.4030 4.4030 4.8379 5.0897 5.1477 5.1477 5.3478 5.3478 6.8776 6.8776 7.9770 7.9770 7.9841 8.0126 8.0252 8.0252 8.3523 8.3775 8.3842 8.3842 8.4224 8.4224 8.8339 8.8482 8.8482 8.8707 8.9092 8.9092 9.0562 9.0562 9.2659 9.2834 9.2862 9.2862 9.7074 9.7182 9.7459 9.7459 10.4226 10.4226 10.8240 10.8472 10.8472 10.8517 k = 0.3333 0.5774 0.7288 ( 7602 PWs) bands (ev): -2.6704 -2.6687 -2.6687 -2.6668 3.9785 4.0642 4.0642 4.1821 4.4115 4.4115 4.8303 5.0626 5.1546 5.1546 5.3371 5.3371 6.9044 6.9044 7.9831 7.9831 7.9917 8.0201 8.0309 8.0309 8.3517 8.3757 8.3827 8.3827 8.4379 8.4379 8.8410 8.8535 8.8535 8.8799 8.8799 8.8806 9.0574 9.0574 9.2456 9.2639 9.2652 9.2652 9.7039 9.7140 9.7438 9.7438 10.3802 10.3802 10.8473 10.8688 10.8688 10.8742 k = 0.3333 0.5774 0.7531 ( 7608 PWs) bands (ev): -2.6431 -2.6414 -2.6414 -2.6395 3.9333 4.0208 4.0208 4.1172 4.4329 4.4329 4.8297 5.0409 5.1634 5.1634 5.3279 5.3279 6.9297 6.9297 7.9870 7.9870 8.0002 8.0286 8.0373 8.0373 8.3496 8.3724 8.3793 8.3793 8.4540 8.4540 8.8425 8.8425 8.8451 8.8656 8.8656 8.8870 9.0639 9.0639 9.2265 9.2454 9.2456 9.2456 9.7011 9.7103 9.7421 9.7421 10.3349 10.3349 10.8727 10.8923 10.8923 10.8984 k = 0.3333 0.5774 0.7773 ( 7599 PWs) bands (ev): -2.6167 -2.6151 -2.6151 -2.6133 3.8874 3.9702 3.9702 4.0517 4.4612 4.4612 4.8336 5.0237 5.1733 5.1733 5.3199 5.3199 6.9533 6.9533 7.9889 7.9889 8.0096 8.0379 8.0448 8.0448 8.3460 8.3678 8.3746 8.3746 8.4698 8.4698 8.8179 8.8179 8.8461 8.8633 8.8633 8.8896 9.0757 9.0757 9.2089 9.2279 9.2279 9.2281 9.6995 9.7076 9.7415 9.7415 10.2867 10.2867 10.8994 10.9168 10.9168 10.9235 k = 0.3333 0.5774 0.8016 ( 7605 PWs) bands (ev): -2.5916 -2.5901 -2.5901 -2.5883 3.8419 3.9172 3.9172 3.9873 4.4923 4.4923 4.8405 5.0101 5.1838 5.1838 5.3130 5.3130 6.9752 6.9752 7.9892 7.9892 8.0200 8.0481 8.0534 8.0534 8.3414 8.3621 8.3689 8.3689 8.4844 8.4844 8.7936 8.7936 8.8441 8.8591 8.8591 8.8883 9.0926 9.0926 9.1929 9.2120 9.2121 9.2121 9.6992 9.7062 9.7420 9.7420 10.2360 10.2360 10.9264 10.9414 10.9414 10.9487 k = 0.3333 0.5774 0.8259 ( 7581 PWs) bands (ev): -2.5679 -2.5664 -2.5664 -2.5648 3.7978 3.8646 3.8646 3.9255 4.5239 4.5239 4.8492 4.9994 5.1945 5.1945 5.3070 5.3070 6.9953 6.9953 7.9882 7.9882 8.0313 8.0591 8.0632 8.0632 8.3360 8.3557 8.3626 8.3626 8.4973 8.4973 8.7712 8.7712 8.8393 8.8517 8.8517 8.8833 9.1144 9.1144 9.1788 9.1973 9.1988 9.1988 9.7005 9.7063 9.7439 9.7439 10.1830 10.1830 10.9530 10.9656 10.9656 10.9733 k = 0.3333 0.5774 0.8502 ( 7575 PWs) bands (ev): -2.5457 -2.5443 -2.5443 -2.5428 3.7559 3.8142 3.8142 3.8672 4.5545 4.5545 4.8590 4.9908 5.2050 5.2050 5.3018 5.3018 7.0137 7.0137 7.9864 7.9864 8.0433 8.0707 8.0740 8.0740 8.3298 8.3486 8.3558 8.3558 8.5082 8.5082 8.7508 8.7508 8.8323 8.8415 8.8415 8.8748 9.1393 9.1393 9.1666 9.1840 9.1894 9.1894 9.7031 9.7078 9.7470 9.7470 10.1279 10.1279 10.9785 10.9886 10.9886 10.9967 k = 0.3333 0.5774 0.8745 ( 7578 PWs) bands (ev): -2.5253 -2.5240 -2.5240 -2.5226 3.7171 3.7671 3.7671 3.8131 4.5833 4.5833 4.8691 4.9837 5.2152 5.2152 5.2972 5.2972 7.0302 7.0302 7.9842 7.9842 8.0560 8.0827 8.0856 8.0856 8.3232 8.3412 8.3487 8.3487 8.5170 8.5170 8.7325 8.7325 8.8235 8.8290 8.8290 8.8637 9.1560 9.1575 9.1575 9.1720 9.1933 9.1933 9.7067 9.7105 9.7511 9.7511 10.0711 10.0711 11.0024 11.0101 11.0101 11.0185 k = 0.3333 0.5774 0.8988 ( 7578 PWs) bands (ev): -2.5068 -2.5056 -2.5056 -2.5044 3.6820 3.7242 3.7242 3.7638 4.6096 4.6096 4.8794 4.9776 5.2247 5.2247 5.2933 5.2933 7.0448 7.0448 7.9818 7.9818 8.0691 8.0949 8.0976 8.0976 8.3162 8.3334 8.3415 8.3415 8.5236 8.5236 8.7165 8.7165 8.8137 8.8150 8.8150 8.8507 9.1472 9.1569 9.1569 9.1614 9.2223 9.2223 9.7112 9.7141 9.7557 9.7557 10.0130 10.0130 11.0242 11.0297 11.0297 11.0382 k = 0.3333 0.5774 0.9231 ( 7584 PWs) bands (ev): -2.4903 -2.4893 -2.4893 -2.4883 3.6512 3.6860 3.6860 3.7197 4.6330 4.6330 4.8895 4.9723 5.2335 5.2335 5.2899 5.2899 7.0576 7.0576 7.9796 7.9796 8.0825 8.1069 8.1099 8.1099 8.3092 8.3255 8.3343 8.3343 8.5283 8.5283 8.7026 8.7026 8.8005 8.8005 8.8036 8.8367 9.1399 9.1512 9.1512 9.1521 9.2621 9.2621 9.7161 9.7183 9.7605 9.7605 9.9540 9.9540 11.0438 11.0470 11.0470 11.0556 k = 0.3333 0.5774 0.9474 ( 7593 PWs) bands (ev): -2.4761 -2.4753 -2.4753 -2.4744 3.6251 3.6530 3.6530 3.6811 4.6532 4.6532 4.8993 4.9672 5.2415 5.2415 5.2868 5.2868 7.0685 7.0685 7.9777 7.9777 8.0957 8.1182 8.1218 8.1218 8.3024 8.3175 8.3274 8.3274 8.5314 8.5314 8.6908 8.6908 8.7863 8.7863 8.7940 8.8226 9.1340 9.1442 9.1455 9.1455 9.3069 9.3069 9.7210 9.7226 9.7646 9.7646 9.8949 9.8949 11.0607 11.0619 11.0619 11.0705 k = 0.3333 0.5774 0.9717 ( 7596 PWs) bands (ev): -2.4643 -2.4636 -2.4636 -2.4629 3.6041 3.6256 3.6256 3.6482 4.6699 4.6699 4.9086 4.9623 5.2486 5.2486 5.2840 5.2840 7.0775 7.0775 7.9760 7.9760 8.1084 8.1284 8.1331 8.1331 8.2962 8.3098 8.3209 8.3209 8.5332 8.5332 8.6812 8.6812 8.7732 8.7732 8.7857 8.8092 9.1294 9.1375 9.1407 9.1407 9.3553 9.3553 9.7256 9.7267 9.7663 9.7663 9.8377 9.8377 11.0743 11.0743 11.0749 11.0827 k = 0.3333 0.5774 0.9960 ( 7605 PWs) bands (ev): -2.4549 -2.4544 -2.4544 -2.4538 3.5887 3.6040 3.6040 3.6213 4.6831 4.6831 4.9173 4.9572 5.2547 5.2547 5.2814 5.2814 7.0844 7.0844 7.9748 7.9748 8.1202 8.1367 8.1430 8.1430 8.2911 8.3025 8.3151 8.3151 8.5342 8.5342 8.6738 8.6738 8.7622 8.7622 8.7792 8.7972 9.1260 9.1321 9.1369 9.1369 9.4062 9.4062 9.7295 9.7303 9.7532 9.7532 9.7949 9.7949 11.0840 11.0840 11.0862 11.0920 k = 0.3333 0.5774 1.0203 ( 7593 PWs) bands (ev): -2.4481 -2.4477 -2.4477 -2.4474 3.5789 3.5885 3.5885 3.6005 4.6926 4.6926 4.9254 4.9518 5.2599 5.2599 5.2788 5.2788 7.0894 7.0894 7.9739 7.9739 8.1304 8.1423 8.1508 8.1508 8.2876 8.2959 8.3104 8.3104 8.5346 8.5346 8.6685 8.6685 8.7537 8.7537 8.7751 8.7872 9.1240 9.1280 9.1342 9.1342 9.4583 9.4583 9.7065 9.7065 9.7325 9.7330 9.7862 9.7862 11.0910 11.0910 11.0946 11.0985 k = 0.3333 0.5774 1.0446 ( 7590 PWs) bands (ev): -2.4439 -2.4437 -2.4437 -2.4436 3.5752 3.5791 3.5791 3.5859 4.6983 4.6983 4.9329 4.9460 5.2637 5.2637 5.2766 5.2766 7.0925 7.0925 7.9734 7.9734 8.1383 8.1446 8.1559 8.1559 8.2863 8.2907 8.3074 8.3074 8.5347 8.5347 8.6653 8.6653 8.7484 8.7484 8.7737 8.7798 9.1231 9.1251 9.1326 9.1326 9.5083 9.5083 9.6549 9.6549 9.7345 9.7347 9.7860 9.7860 11.0952 11.0952 11.1001 11.1020 k = 0.3333 0.5774 1.0688 ( 7596 PWs) bands (ev): -2.4424 -2.4424 -2.4424 -2.4424 3.5759 3.5759 3.5774 3.5774 4.7002 4.7002 4.9397 4.9397 5.2653 5.2653 5.2755 5.2755 7.0935 7.0935 7.9732 7.9732 8.1432 8.1432 8.1577 8.1577 8.2873 8.2873 8.3063 8.3063 8.5347 8.5347 8.6643 8.6643 8.7466 8.7466 8.7752 8.7752 9.1235 9.1235 9.1320 9.1320 9.5371 9.5371 9.6254 9.6254 9.7352 9.7352 9.7862 9.7862 11.0966 11.0966 11.1025 11.1025 Writing output data file Zr6FeTe2.save init_run : 2.91s CPU 13.45s WALL ( 1 calls) electrons : 1985.98s CPU 2008.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.32s WALL ( 1 calls) Called by electrons: c_bands : 1985.96s CPU 2007.71s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.85s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.46s WALL ( 1 calls) newd : 0.34s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.36s WALL ( 273 calls) cegterg : 1865.48s CPU 1883.64s WALL ( 1461 calls) Called by sum_band: Called by *egterg: h_psi : 987.75s CPU 1012.24s WALL ( 29469 calls) s_psi : 50.28s CPU 50.94s WALL ( 29469 calls) g_psi : 2.44s CPU 2.46s WALL ( 27735 calls) cdiaghg : 553.69s CPU 547.90s WALL ( 28008 calls) cegterg:over : 158.47s CPU 151.47s WALL ( 27735 calls) cegterg:upda : 45.45s CPU 54.54s WALL ( 27735 calls) cegterg:last : 34.80s CPU 36.43s WALL ( 4082 calls) Called by h_psi: h_psi:vloc : 817.06s CPU 837.22s WALL ( 29469 calls) h_psi:vnl : 169.43s CPU 172.29s WALL ( 29469 calls) add_vuspsi : 55.48s CPU 66.05s WALL ( 29469 calls) General routines calbec : 113.84s CPU 106.06s WALL ( 29469 calls) fft : 0.22s CPU 1.15s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 787.40s CPU 801.46s WALL ( 2488184 calls) interpolate : 0.02s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 2.68s WALL ( 546 calls) Parallel routines fft_scatter : 511.24s CPU 523.05s WALL ( 2488207 calls) PWSCF : 34m10.77s CPU 37m28.75s WALL This run was terminated on: 7:22:39 18Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=