Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:26: 8 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MnAlFe2.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 37 10 892 892 136 Max 39 39 11 894 894 141 Sum 1345 1345 379 32143 32143 4957 bravais-lattice index = 14 lattice parameter (alat) = 7.7716 a.u. unit-cell volume = 331.9019 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.771561 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Fe read from file: /users/gautes/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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Fe 8.00 55.84500 Fe( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with 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 ) ( 1 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) = ( -1 1 0 ) ( -1 0 0 ) ( -1 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) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 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) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion 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 [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -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 [0,1,0] 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 [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 -0.0052486 0.0074227), wk = 0.0027397 k( 3) = ( 0.0181818 -0.0104973 0.0148454), wk = 0.0027397 k( 4) = ( 0.0272727 -0.0157459 0.0222681), wk = 0.0027397 k( 5) = ( 0.0363636 -0.0209946 0.0296908), wk = 0.0027397 k( 6) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0027397 k( 7) = ( 0.0545455 -0.0314918 0.0445362), wk = 0.0027397 k( 8) = ( 0.0636364 -0.0367405 0.0519589), wk = 0.0027397 k( 9) = ( 0.0727273 -0.0419891 0.0593816), wk = 0.0027397 k( 10) = ( 0.0818182 -0.0472377 0.0668043), wk = 0.0027397 k( 11) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0027397 k( 12) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0027397 k( 13) = ( 0.1090909 -0.0629837 0.0890724), wk = 0.0027397 k( 14) = ( 0.1181818 -0.0682323 0.0964951), wk = 0.0027397 k( 15) = ( 0.1272727 -0.0734809 0.1039177), wk = 0.0027397 k( 16) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0027397 k( 17) = ( 0.1454545 -0.0839782 0.1187631), wk = 0.0027397 k( 18) = ( 0.1545455 -0.0892269 0.1261858), wk = 0.0027397 k( 19) = ( 0.1636364 -0.0944755 0.1336085), wk = 0.0027397 k( 20) = ( 0.1727273 -0.0997241 0.1410312), wk = 0.0027397 k( 21) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0027397 k( 22) = ( 0.1909091 -0.1102214 0.1558766), wk = 0.0027397 k( 23) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0027397 k( 24) = ( 0.2090909 -0.1207187 0.1707220), wk = 0.0027397 k( 25) = ( 0.2181818 -0.1259673 0.1781447), wk = 0.0027397 k( 26) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0027397 k( 27) = ( 0.2363636 -0.1364646 0.1929901), wk = 0.0027397 k( 28) = ( 0.2454545 -0.1417133 0.2004128), wk = 0.0027397 k( 29) = ( 0.2545455 -0.1469619 0.2078355), wk = 0.0027397 k( 30) = ( 0.2636364 -0.1522105 0.2152582), wk = 0.0027397 k( 31) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0027397 k( 32) = ( 0.2818182 -0.1627078 0.2301036), wk = 0.0027397 k( 33) = ( 0.2909091 -0.1679564 0.2375263), wk = 0.0027397 k( 34) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0027397 k( 35) = ( 0.3090909 -0.1784537 0.2523717), wk = 0.0027397 k( 36) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0027397 k( 37) = ( 0.3272727 -0.1889510 0.2672171), wk = 0.0027397 k( 38) = ( 0.3363636 -0.1941996 0.2746398), wk = 0.0027397 k( 39) = ( 0.3454546 -0.1994483 0.2820625), wk = 0.0027397 k( 40) = ( 0.3545454 -0.2046969 0.2894851), wk = 0.0027397 k( 41) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0027397 k( 42) = ( 0.3727273 -0.2151942 0.3043305), wk = 0.0027397 k( 43) = ( 0.3818182 -0.2204428 0.3117532), wk = 0.0027397 k( 44) = ( 0.3909091 -0.2256915 0.3191759), wk = 0.0027397 k( 45) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0027397 k( 46) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0027397 k( 47) = ( 0.4181818 -0.2414374 0.3414440), wk = 0.0027397 k( 48) = ( 0.4272727 -0.2466860 0.3488667), wk = 0.0027397 k( 49) = ( 0.4363636 -0.2519347 0.3562894), wk = 0.0027397 k( 50) = ( 0.4454546 -0.2571833 0.3637121), wk = 0.0027397 k( 51) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0027397 k( 52) = ( 0.4636364 -0.2676806 0.3785575), wk = 0.0027397 k( 53) = ( 0.4727273 -0.2729292 0.3859802), wk = 0.0027397 k( 54) = ( 0.4818182 -0.2781779 0.3934029), wk = 0.0027397 k( 55) = ( 0.4909091 -0.2834265 0.4008256), wk = 0.0027397 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027397 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027397 k( 58) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027397 k( 59) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027397 k( 60) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027397 k( 61) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027397 k( 62) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027397 k( 63) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027397 k( 64) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027397 k( 65) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027397 k( 66) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027397 k( 67) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027397 k( 68) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027397 k( 69) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027397 k( 70) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027397 k( 71) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027397 k( 72) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027397 k( 73) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027397 k( 74) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027397 k( 75) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027397 k( 76) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027397 k( 77) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027397 k( 78) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027397 k( 79) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027397 k( 80) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027397 k( 81) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027397 k( 82) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027397 k( 83) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027397 k( 84) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027397 k( 85) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027397 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027397 k( 87) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027397 k( 88) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027397 k( 89) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027397 k( 90) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027397 k( 91) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027397 k( 92) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027397 k( 93) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027397 k( 94) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027397 k( 95) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027397 k( 96) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027397 k( 97) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027397 k( 98) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027397 k( 99) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027397 k( 100) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027397 k( 101) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027397 k( 102) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027397 k( 103) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027397 k( 104) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027397 k( 105) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027397 k( 106) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027397 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027397 k( 108) = ( 0.3685345 0.2127735 0.6018143), wk = 0.0027397 k( 109) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0027397 k( 110) = ( 0.3556034 0.2053077 0.5806980), wk = 0.0027397 k( 111) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0027397 k( 112) = ( 0.3426724 0.1978420 0.5595817), wk = 0.0027397 k( 113) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0027397 k( 114) = ( 0.3297414 0.1903763 0.5384654), wk = 0.0027397 k( 115) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0027397 k( 116) = ( 0.3168103 0.1829105 0.5173491), wk = 0.0027397 k( 117) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0027397 k( 118) = ( 0.3038793 0.1754448 0.4962328), wk = 0.0027397 k( 119) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0027397 k( 120) = ( 0.2909483 0.1679791 0.4751165), wk = 0.0027397 k( 121) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0027397 k( 122) = ( 0.2780172 0.1605133 0.4540003), wk = 0.0027397 k( 123) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0027397 k( 124) = ( 0.2650862 0.1530476 0.4328840), wk = 0.0027397 k( 125) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0027397 k( 126) = ( 0.2521552 0.1455819 0.4117677), wk = 0.0027397 k( 127) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0027397 k( 128) = ( 0.2392241 0.1381161 0.3906514), wk = 0.0027397 k( 129) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0027397 k( 130) = ( 0.2262931 0.1306504 0.3695351), wk = 0.0027397 k( 131) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0027397 k( 132) = ( 0.2133621 0.1231846 0.3484188), wk = 0.0027397 k( 133) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0027397 k( 134) = ( 0.2004310 0.1157189 0.3273025), wk = 0.0027397 k( 135) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0027397 k( 136) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0027397 k( 137) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0027397 k( 138) = ( 0.1745690 0.1007874 0.2850699), wk = 0.0027397 k( 139) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0027397 k( 140) = ( 0.1616379 0.0933217 0.2639536), wk = 0.0027397 k( 141) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0027397 k( 142) = ( 0.1487069 0.0858560 0.2428373), wk = 0.0027397 k( 143) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0027397 k( 144) = ( 0.1357759 0.0783902 0.2217211), wk = 0.0027397 k( 145) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0027397 k( 146) = ( 0.1228448 0.0709245 0.2006048), wk = 0.0027397 k( 147) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0027397 k( 148) = ( 0.1099138 0.0634588 0.1794885), wk = 0.0027397 k( 149) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0027397 k( 150) = ( 0.0969828 0.0559930 0.1583722), wk = 0.0027397 k( 151) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0027397 k( 152) = ( 0.0840517 0.0485273 0.1372559), wk = 0.0027397 k( 153) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0027397 k( 154) = ( 0.0711207 0.0410615 0.1161396), wk = 0.0027397 k( 155) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0027397 k( 156) = ( 0.0581897 0.0335958 0.0950233), wk = 0.0027397 k( 157) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0027397 k( 158) = ( 0.0452586 0.0261301 0.0739070), wk = 0.0027397 k( 159) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0027397 k( 160) = ( 0.0323276 0.0186643 0.0527907), wk = 0.0027397 k( 161) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0027397 k( 162) = ( 0.0193965 0.0111986 0.0316744), wk = 0.0027397 k( 163) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0027397 k( 164) = ( 0.0064655 0.0037329 0.0105581), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 167) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0027397 k( 168) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0027397 k( 169) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0027397 k( 170) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0027397 k( 171) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0027397 k( 172) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0027397 k( 173) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0027397 k( 174) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0027397 k( 175) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0027397 k( 176) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0027397 k( 177) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0027397 k( 178) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0027397 k( 179) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0027397 k( 180) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0027397 k( 181) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0027397 k( 182) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0027397 k( 183) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0027397 k( 184) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0027397 k( 185) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0027397 k( 186) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0027397 k( 187) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0027397 k( 188) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0027397 k( 189) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0027397 k( 190) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0027397 k( 191) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0027397 k( 192) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0027397 k( 193) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0027397 k( 194) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0027397 k( 195) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0027397 k( 196) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0027397 k( 197) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0027397 k( 198) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0027397 k( 199) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0027397 k( 200) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0027397 k( 201) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0027397 k( 202) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0027397 k( 203) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0027397 k( 204) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0027397 k( 205) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0027397 k( 206) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0027397 k( 207) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0027397 k( 208) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0027397 k( 209) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0027397 k( 210) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0027397 k( 211) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0027397 k( 212) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0027397 k( 213) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027397 k( 214) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027397 k( 215) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027397 k( 216) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027397 k( 217) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027397 k( 218) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027397 k( 219) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027397 k( 220) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027397 k( 221) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027397 k( 222) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027397 k( 223) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027397 k( 224) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027397 k( 225) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027397 k( 226) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027397 k( 227) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027397 k( 228) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027397 k( 229) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027397 k( 230) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027397 k( 231) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027397 k( 232) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027397 k( 233) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027397 k( 234) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027397 k( 235) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027397 k( 236) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027397 k( 237) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027397 k( 238) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027397 k( 239) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027397 k( 240) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027397 k( 241) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027397 k( 242) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027397 k( 243) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027397 k( 244) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027397 k( 245) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027397 k( 246) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027397 k( 247) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027397 k( 248) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027397 k( 249) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027397 k( 250) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027397 k( 251) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027397 k( 252) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027397 k( 253) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027397 k( 254) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027397 k( 255) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027397 k( 256) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027397 k( 257) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027397 k( 258) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027397 k( 259) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027397 k( 260) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027397 k( 261) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027397 k( 262) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027397 k( 263) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027397 k( 264) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027397 k( 265) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027397 k( 266) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027397 k( 267) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027397 k( 268) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027397 k( 269) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027397 k( 270) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027397 k( 271) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027397 k( 272) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027397 k( 273) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027397 k( 274) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027397 k( 275) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027397 k( 276) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027397 k( 277) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027397 k( 278) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027397 k( 279) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027397 k( 280) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027397 k( 281) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027397 k( 282) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027397 k( 283) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027397 k( 284) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027397 k( 285) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027397 k( 286) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027397 k( 287) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027397 k( 288) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027397 k( 289) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027397 k( 290) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027397 k( 291) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027397 k( 292) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027397 k( 293) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027397 k( 294) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027397 k( 295) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027397 k( 296) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027397 k( 297) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027397 k( 298) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027397 k( 299) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027397 k( 300) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027397 k( 301) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027397 k( 302) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027397 k( 303) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027397 k( 304) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027397 k( 305) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027397 k( 306) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027397 k( 307) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027397 k( 308) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027397 k( 309) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027397 k( 310) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027397 k( 311) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027397 k( 312) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027397 k( 313) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027397 k( 314) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027397 k( 315) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027397 k( 316) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027397 k( 317) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027397 k( 318) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027397 k( 319) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027397 k( 320) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027397 k( 321) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027397 k( 322) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027397 k( 323) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027397 k( 324) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027397 k( 325) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027397 k( 326) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027397 k( 327) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027397 k( 328) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027397 k( 329) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027397 k( 330) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027397 k( 331) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027397 k( 332) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027397 k( 333) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027397 k( 334) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027397 k( 335) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027397 k( 336) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027397 k( 337) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027397 k( 338) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027397 k( 339) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027397 k( 340) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027397 k( 341) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027397 k( 342) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027397 k( 343) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027397 k( 344) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027397 k( 345) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027397 k( 346) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027397 k( 347) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027397 k( 348) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027397 k( 349) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027397 k( 350) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027397 k( 351) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027397 k( 352) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027397 k( 353) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027397 k( 354) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027397 k( 355) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027397 k( 356) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027397 k( 357) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027397 k( 358) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027397 k( 359) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027397 k( 360) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027397 k( 361) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027397 k( 362) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027397 k( 363) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027397 k( 364) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027397 k( 365) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 -0.0000000 0.0090909), wk = 0.0027397 k( 3) = ( 0.0181818 -0.0000000 0.0181818), wk = 0.0027397 k( 4) = ( 0.0272727 -0.0000000 0.0272727), wk = 0.0027397 k( 5) = ( 0.0363636 -0.0000000 0.0363636), wk = 0.0027397 k( 6) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0027397 k( 7) = ( 0.0545455 -0.0000000 0.0545455), wk = 0.0027397 k( 8) = ( 0.0636364 -0.0000000 0.0636364), wk = 0.0027397 k( 9) = ( 0.0727273 -0.0000000 0.0727273), wk = 0.0027397 k( 10) = ( 0.0818182 -0.0000000 0.0818182), wk = 0.0027397 k( 11) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0027397 k( 12) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0027397 k( 13) = ( 0.1090909 -0.0000000 0.1090909), wk = 0.0027397 k( 14) = ( 0.1181818 -0.0000000 0.1181818), wk = 0.0027397 k( 15) = ( 0.1272727 -0.0000000 0.1272727), wk = 0.0027397 k( 16) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0027397 k( 17) = ( 0.1454545 -0.0000000 0.1454545), wk = 0.0027397 k( 18) = ( 0.1545455 -0.0000000 0.1545455), wk = 0.0027397 k( 19) = ( 0.1636364 -0.0000000 0.1636364), wk = 0.0027397 k( 20) = ( 0.1727273 -0.0000000 0.1727273), wk = 0.0027397 k( 21) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0027397 k( 22) = ( 0.1909091 -0.0000000 0.1909091), wk = 0.0027397 k( 23) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0027397 k( 24) = ( 0.2090909 -0.0000000 0.2090909), wk = 0.0027397 k( 25) = ( 0.2181818 -0.0000000 0.2181818), wk = 0.0027397 k( 26) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0027397 k( 27) = ( 0.2363636 -0.0000000 0.2363636), wk = 0.0027397 k( 28) = ( 0.2454545 -0.0000000 0.2454545), wk = 0.0027397 k( 29) = ( 0.2545455 -0.0000000 0.2545455), wk = 0.0027397 k( 30) = ( 0.2636364 -0.0000000 0.2636364), wk = 0.0027397 k( 31) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0027397 k( 32) = ( 0.2818182 -0.0000000 0.2818182), wk = 0.0027397 k( 33) = ( 0.2909091 -0.0000000 0.2909091), wk = 0.0027397 k( 34) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0027397 k( 35) = ( 0.3090909 -0.0000000 0.3090909), wk = 0.0027397 k( 36) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0027397 k( 37) = ( 0.3272727 -0.0000000 0.3272727), wk = 0.0027397 k( 38) = ( 0.3363636 -0.0000000 0.3363636), wk = 0.0027397 k( 39) = ( 0.3454546 -0.0000000 0.3454546), wk = 0.0027397 k( 40) = ( 0.3545454 -0.0000000 0.3545454), wk = 0.0027397 k( 41) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0027397 k( 42) = ( 0.3727273 -0.0000000 0.3727273), wk = 0.0027397 k( 43) = ( 0.3818182 -0.0000000 0.3818182), wk = 0.0027397 k( 44) = ( 0.3909091 -0.0000000 0.3909091), wk = 0.0027397 k( 45) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0027397 k( 46) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0027397 k( 47) = ( 0.4181818 -0.0000000 0.4181818), wk = 0.0027397 k( 48) = ( 0.4272727 -0.0000000 0.4272727), wk = 0.0027397 k( 49) = ( 0.4363636 -0.0000000 0.4363636), wk = 0.0027397 k( 50) = ( 0.4454546 -0.0000000 0.4454546), wk = 0.0027397 k( 51) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0027397 k( 52) = ( 0.4636364 -0.0000000 0.4636364), wk = 0.0027397 k( 53) = ( 0.4727273 -0.0000000 0.4727273), wk = 0.0027397 k( 54) = ( 0.4818182 -0.0000000 0.4818182), wk = 0.0027397 k( 55) = ( 0.4909091 -0.0000000 0.4909091), wk = 0.0027397 k( 56) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027397 k( 57) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027397 k( 58) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027397 k( 59) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027397 k( 60) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027397 k( 61) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027397 k( 62) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027397 k( 63) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027397 k( 64) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027397 k( 65) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027397 k( 66) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027397 k( 67) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027397 k( 68) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027397 k( 69) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027397 k( 70) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027397 k( 71) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027397 k( 72) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027397 k( 73) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027397 k( 74) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027397 k( 75) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027397 k( 76) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027397 k( 77) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027397 k( 78) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027397 k( 79) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027397 k( 80) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027397 k( 81) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027397 k( 82) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027397 k( 83) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027397 k( 84) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027397 k( 85) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027397 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027397 k( 87) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027397 k( 88) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027397 k( 89) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027397 k( 90) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027397 k( 91) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027397 k( 92) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027397 k( 93) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027397 k( 94) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027397 k( 95) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027397 k( 96) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027397 k( 97) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027397 k( 98) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027397 k( 99) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027397 k( 100) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027397 k( 101) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027397 k( 102) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027397 k( 103) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027397 k( 104) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027397 k( 105) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027397 k( 106) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027397 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027397 k( 108) = ( 0.3685345 0.3685345 0.7370690), wk = 0.0027397 k( 109) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0027397 k( 110) = ( 0.3556034 0.3556034 0.7112069), wk = 0.0027397 k( 111) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0027397 k( 112) = ( 0.3426724 0.3426724 0.6853448), wk = 0.0027397 k( 113) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0027397 k( 114) = ( 0.3297414 0.3297414 0.6594828), wk = 0.0027397 k( 115) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0027397 k( 116) = ( 0.3168103 0.3168103 0.6336207), wk = 0.0027397 k( 117) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0027397 k( 118) = ( 0.3038793 0.3038793 0.6077586), wk = 0.0027397 k( 119) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0027397 k( 120) = ( 0.2909483 0.2909483 0.5818965), wk = 0.0027397 k( 121) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0027397 k( 122) = ( 0.2780172 0.2780172 0.5560345), wk = 0.0027397 k( 123) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0027397 k( 124) = ( 0.2650862 0.2650862 0.5301724), wk = 0.0027397 k( 125) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0027397 k( 126) = ( 0.2521552 0.2521552 0.5043103), wk = 0.0027397 k( 127) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0027397 k( 128) = ( 0.2392241 0.2392241 0.4784483), wk = 0.0027397 k( 129) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0027397 k( 130) = ( 0.2262931 0.2262931 0.4525862), wk = 0.0027397 k( 131) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0027397 k( 132) = ( 0.2133621 0.2133621 0.4267241), wk = 0.0027397 k( 133) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0027397 k( 134) = ( 0.2004310 0.2004310 0.4008621), wk = 0.0027397 k( 135) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0027397 k( 136) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0027397 k( 137) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0027397 k( 138) = ( 0.1745690 0.1745690 0.3491379), wk = 0.0027397 k( 139) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0027397 k( 140) = ( 0.1616379 0.1616379 0.3232759), wk = 0.0027397 k( 141) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0027397 k( 142) = ( 0.1487069 0.1487069 0.2974138), wk = 0.0027397 k( 143) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0027397 k( 144) = ( 0.1357759 0.1357759 0.2715517), wk = 0.0027397 k( 145) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0027397 k( 146) = ( 0.1228448 0.1228448 0.2456897), wk = 0.0027397 k( 147) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0027397 k( 148) = ( 0.1099138 0.1099138 0.2198276), wk = 0.0027397 k( 149) = ( 0.1034483 0.1034483 0.2068966), wk = 0.0027397 k( 150) = ( 0.0969828 0.0969828 0.1939655), wk = 0.0027397 k( 151) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0027397 k( 152) = ( 0.0840517 0.0840517 0.1681034), wk = 0.0027397 k( 153) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0027397 k( 154) = ( 0.0711207 0.0711207 0.1422414), wk = 0.0027397 k( 155) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0027397 k( 156) = ( 0.0581897 0.0581897 0.1163793), wk = 0.0027397 k( 157) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0027397 k( 158) = ( 0.0452586 0.0452586 0.0905172), wk = 0.0027397 k( 159) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0027397 k( 160) = ( 0.0323276 0.0323276 0.0646552), wk = 0.0027397 k( 161) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0027397 k( 162) = ( 0.0193965 0.0193965 0.0387931), wk = 0.0027397 k( 163) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0027397 k( 164) = ( 0.0064655 0.0064655 0.0129310), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 167) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0027397 k( 168) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0027397 k( 169) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0027397 k( 170) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0027397 k( 171) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0027397 k( 172) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0027397 k( 173) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0027397 k( 174) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0027397 k( 175) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0027397 k( 176) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0027397 k( 177) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0027397 k( 178) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0027397 k( 179) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0027397 k( 180) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0027397 k( 181) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0027397 k( 182) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0027397 k( 183) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0027397 k( 184) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0027397 k( 185) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0027397 k( 186) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0027397 k( 187) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0027397 k( 188) = ( 0.2340425 0.2340426 0.2340425), wk = 0.0027397 k( 189) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0027397 k( 190) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0027397 k( 191) = ( 0.2659574 0.2659574 0.2659575), wk = 0.0027397 k( 192) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0027397 k( 193) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0027397 k( 194) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0027397 k( 195) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0027397 k( 196) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0027397 k( 197) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0027397 k( 198) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0027397 k( 199) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0027397 k( 200) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0027397 k( 201) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0027397 k( 202) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0027397 k( 203) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0027397 k( 204) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0027397 k( 205) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0027397 k( 206) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0027397 k( 207) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0027397 k( 208) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0027397 k( 209) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0027397 k( 210) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0027397 k( 211) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0027397 k( 212) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0027397 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 215) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027397 k( 216) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027397 k( 217) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027397 k( 218) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027397 k( 219) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027397 k( 220) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0027397 k( 221) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027397 k( 222) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027397 k( 223) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027397 k( 224) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027397 k( 225) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027397 k( 226) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027397 k( 227) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027397 k( 228) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027397 k( 229) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027397 k( 230) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027397 k( 231) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027397 k( 232) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027397 k( 233) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027397 k( 234) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027397 k( 235) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027397 k( 236) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027397 k( 237) = ( 0.5845588 0.3308823 0.5845588), wk = 0.0027397 k( 238) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027397 k( 239) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027397 k( 240) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027397 k( 241) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027397 k( 242) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027397 k( 243) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027397 k( 244) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027397 k( 245) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027397 k( 246) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027397 k( 247) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027397 k( 248) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027397 k( 249) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027397 k( 250) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027397 k( 251) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027397 k( 252) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027397 k( 253) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027397 k( 254) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027397 k( 255) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027397 k( 256) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027397 k( 257) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027397 k( 258) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027397 k( 259) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027397 k( 260) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027397 k( 261) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027397 k( 262) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027397 k( 263) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027397 k( 264) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027397 k( 265) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027397 k( 266) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027397 k( 267) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027397 k( 268) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027397 k( 269) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027397 k( 270) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027397 k( 271) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027397 k( 272) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027397 k( 273) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027397 k( 274) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027397 k( 275) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027397 k( 276) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027397 k( 277) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027397 k( 278) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027397 k( 279) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027397 k( 280) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027397 k( 281) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027397 k( 282) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027397 k( 283) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027397 k( 284) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027397 k( 285) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027397 k( 286) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027397 k( 287) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027397 k( 288) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027397 k( 289) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027397 k( 290) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027397 k( 291) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027397 k( 292) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027397 k( 293) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027397 k( 294) = ( 0.5000000 0.4038462 0.5961539), wk = 0.0027397 k( 295) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027397 k( 296) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027397 k( 297) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027397 k( 298) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027397 k( 299) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027397 k( 300) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027397 k( 301) = ( 0.5000000 0.4487179 0.5512820), wk = 0.0027397 k( 302) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027397 k( 303) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027397 k( 304) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027397 k( 305) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027397 k( 306) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027397 k( 307) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027397 k( 308) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027397 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 311) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027397 k( 312) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027397 k( 313) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027397 k( 314) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027397 k( 315) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027397 k( 316) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027397 k( 317) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027397 k( 318) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027397 k( 319) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027397 k( 320) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027397 k( 321) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027397 k( 322) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0027397 k( 323) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027397 k( 324) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027397 k( 325) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027397 k( 326) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027397 k( 327) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027397 k( 328) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027397 k( 329) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027397 k( 330) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027397 k( 331) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027397 k( 332) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027397 k( 333) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027397 k( 334) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027397 k( 335) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027397 k( 336) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027397 k( 337) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027397 k( 338) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027397 k( 339) = ( 0.3933823 0.3933824 0.7132353), wk = 0.0027397 k( 340) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027397 k( 341) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027397 k( 342) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027397 k( 343) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027397 k( 344) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027397 k( 345) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027397 k( 346) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027397 k( 347) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027397 k( 348) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027397 k( 349) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027397 k( 350) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027397 k( 351) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027397 k( 352) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027397 k( 353) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027397 k( 354) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027397 k( 355) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027397 k( 356) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027397 k( 357) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027397 k( 358) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027397 k( 359) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027397 k( 360) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027397 k( 361) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027397 k( 362) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027397 k( 363) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027397 k( 364) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027397 k( 365) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027397 Dense grid: 32143 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 228, 42) NL pseudopotentials 0.24 Mb ( 114, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 893) G-vector shells 0.00 Mb ( 268) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 228, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./MnAlFe2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4.7 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.9 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.1 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.3 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.5 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.7 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.9 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.2 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 16.5 secs Computing kpt #: 15 total cpu time spent up to now is 17.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.7 secs Computing kpt #: 17 total cpu time spent up to now is 18.1 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.1 secs Computing kpt #: 20 total cpu time spent up to now is 19.5 secs Computing kpt #: 21 total cpu time spent up to now is 20.0 secs Computing kpt #: 22 total cpu time spent up to now is 20.4 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.8 secs Computing kpt #: 26 total cpu time spent up to now is 22.3 secs Computing kpt #: 27 total cpu time spent up to now is 22.7 secs Computing kpt #: 28 total cpu time spent up to now is 23.1 secs Computing kpt #: 29 total cpu time spent up to now is 23.5 secs Computing kpt #: 30 total cpu time spent up to now is 24.0 secs Computing kpt #: 31 total cpu time spent up to now is 24.4 secs Computing kpt #: 32 total cpu time spent up to now is 24.9 secs Computing kpt #: 33 total cpu time spent up to now is 25.4 secs Computing kpt #: 34 total cpu time spent up to now is 25.9 secs Computing kpt #: 35 total cpu time spent up to now is 26.4 secs Computing kpt #: 36 total cpu time spent up to now is 26.9 secs Computing kpt #: 37 total cpu time spent up to now is 27.3 secs Computing kpt #: 38 total cpu time spent up to now is 27.7 secs Computing kpt #: 39 total cpu time spent up to now is 28.2 secs Computing kpt #: 40 total cpu time spent up to now is 28.8 secs Computing kpt #: 41 total cpu time spent up to now is 29.3 secs Computing kpt #: 42 total cpu time spent up to now is 30.0 secs Computing kpt #: 43 total cpu time spent up to now is 30.5 secs Computing kpt #: 44 total cpu time spent up to now is 31.1 secs Computing kpt #: 45 total cpu time spent up to now is 31.6 secs Computing kpt #: 46 total cpu time spent up to now is 32.2 secs Computing kpt #: 47 total cpu time spent up to now is 32.8 secs Computing kpt #: 48 total cpu time spent up to now is 33.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.8 secs Computing kpt #: 50 total cpu time spent up to now is 34.4 secs Computing kpt #: 51 total cpu time spent up to now is 35.4 secs Computing kpt #: 52 total cpu time spent up to now is 36.2 secs Computing kpt #: 53 total cpu time spent up to now is 36.8 secs Computing kpt #: 54 total cpu time spent up to now is 37.4 secs Computing kpt #: 55 total cpu time spent up to now is 38.2 secs Computing kpt #: 56 total cpu time spent up to now is 38.6 secs Computing kpt #: 57 total cpu time spent up to now is 39.0 secs Computing kpt #: 58 total cpu time spent up to now is 39.4 secs Computing kpt #: 59 total cpu time spent up to now is 39.9 secs Computing kpt #: 60 total cpu time spent up to now is 40.2 secs Computing kpt #: 61 total cpu time spent up to now is 40.6 secs Computing kpt #: 62 total cpu time spent up to now is 41.1 secs Computing kpt #: 63 total cpu time spent up to now is 41.7 secs Computing kpt #: 64 total cpu time spent up to now is 42.2 secs Computing kpt #: 65 total cpu time spent up to now is 42.6 secs Computing kpt #: 66 total cpu time spent up to now is 43.0 secs Computing kpt #: 67 total cpu time spent up to now is 43.4 secs Computing kpt #: 68 total cpu time spent up to now is 43.9 secs Computing kpt #: 69 total cpu time spent up to now is 44.3 secs Computing kpt #: 70 total cpu time spent up to now is 44.8 secs Computing kpt #: 71 total cpu time spent up to now is 45.2 secs Computing kpt #: 72 total cpu time spent up to now is 45.7 secs Computing kpt #: 73 total cpu time spent up to now is 46.2 secs Computing kpt #: 74 total cpu time spent up to now is 46.7 secs Computing kpt #: 75 total cpu time spent up to now is 47.1 secs Computing kpt #: 76 total cpu time spent up to now is 47.6 secs Computing kpt #: 77 total cpu time spent up to now is 48.1 secs Computing kpt #: 78 total cpu time spent up to now is 48.6 secs Computing kpt #: 79 total cpu time spent up to now is 50.1 secs Computing kpt #: 80 total cpu time spent up to now is 50.6 secs Computing kpt #: 81 total cpu time spent up to now is 51.1 secs Computing kpt #: 82 total cpu time spent up to now is 51.6 secs Computing kpt #: 83 total cpu time spent up to now is 52.1 secs Computing kpt #: 84 total cpu time spent up to now is 52.7 secs Computing kpt #: 85 total cpu time spent up to now is 53.2 secs Computing kpt #: 86 total cpu time spent up to now is 53.7 secs Computing kpt #: 87 total cpu time spent up to now is 54.2 secs Computing kpt #: 88 total cpu time spent up to now is 54.7 secs Computing kpt #: 89 total cpu time spent up to now is 55.2 secs Computing kpt #: 90 total cpu time spent up to now is 55.6 secs Computing kpt #: 91 total cpu time spent up to now is 56.1 secs Computing kpt #: 92 total cpu time spent up to now is 56.5 secs Computing kpt #: 93 total cpu time spent up to now is 57.0 secs Computing kpt #: 94 total cpu time spent up to now is 57.4 secs Computing kpt #: 95 total cpu time spent up to now is 57.9 secs Computing kpt #: 96 total cpu time spent up to now is 58.3 secs Computing kpt #: 97 total cpu time spent up to now is 58.7 secs Computing kpt #: 98 total cpu time spent up to now is 59.2 secs Computing kpt #: 99 total cpu time spent up to now is 59.6 secs Computing kpt #: 100 total cpu time spent up to now is 60.0 secs Computing kpt #: 101 total cpu time spent up to now is 60.5 secs Computing kpt #: 102 total cpu time spent up to now is 60.9 secs Computing kpt #: 103 total cpu time spent up to now is 61.3 secs Computing kpt #: 104 total cpu time spent up to now is 61.7 secs Computing kpt #: 105 total cpu time spent up to now is 62.2 secs Computing kpt #: 106 total cpu time spent up to now is 62.6 secs Computing kpt #: 107 total cpu time spent up to now is 63.0 secs Computing kpt #: 108 total cpu time spent up to now is 63.4 secs Computing kpt #: 109 total cpu time spent up to now is 63.9 secs Computing kpt #: 110 total cpu time spent up to now is 64.3 secs Computing kpt #: 111 total cpu time spent up to now is 64.7 secs Computing kpt #: 112 total cpu time spent up to now is 65.1 secs Computing kpt #: 113 total cpu time spent up to now is 65.6 secs Computing kpt #: 114 total cpu time spent up to now is 66.0 secs Computing kpt #: 115 total cpu time spent up to now is 66.4 secs Computing kpt #: 116 total cpu time spent up to now is 66.9 secs Computing kpt #: 117 total cpu time spent up to now is 67.3 secs Computing kpt #: 118 total cpu time spent up to now is 67.8 secs Computing kpt #: 119 total cpu time spent up to now is 68.2 secs Computing kpt #: 120 total cpu time spent up to now is 68.7 secs Computing kpt #: 121 total cpu time spent up to now is 69.1 secs Computing kpt #: 122 total cpu time spent up to now is 69.5 secs Computing kpt #: 123 total cpu time spent up to now is 69.9 secs Computing kpt #: 124 total cpu time spent up to now is 70.3 secs Computing kpt #: 125 total cpu time spent up to now is 70.8 secs Computing kpt #: 126 total cpu time spent up to now is 71.2 secs Computing kpt #: 127 total cpu time spent up to now is 71.7 secs Computing kpt #: 128 total cpu time spent up to now is 72.1 secs Computing kpt #: 129 total cpu time spent up to now is 72.7 secs Computing kpt #: 130 total cpu time spent up to now is 73.1 secs Computing kpt #: 131 total cpu time spent up to now is 73.5 secs Computing kpt #: 132 total cpu time spent up to now is 73.9 secs Computing kpt #: 133 total cpu time spent up to now is 74.4 secs Computing kpt #: 134 total cpu time spent up to now is 74.9 secs Computing kpt #: 135 total cpu time spent up to now is 75.3 secs Computing kpt #: 136 total cpu time spent up to now is 75.9 secs Computing kpt #: 137 total cpu time spent up to now is 76.6 secs Computing kpt #: 138 total cpu time spent up to now is 77.1 secs Computing kpt #: 139 total cpu time spent up to now is 77.6 secs Computing kpt #: 140 total cpu time spent up to now is 78.0 secs Computing kpt #: 141 total cpu time spent up to now is 78.5 secs Computing kpt #: 142 total cpu time spent up to now is 78.9 secs Computing kpt #: 143 total cpu time spent up to now is 79.3 secs Computing kpt #: 144 total cpu time spent up to now is 79.7 secs Computing kpt #: 145 total cpu time spent up to now is 80.1 secs Computing kpt #: 146 total cpu time spent up to now is 80.5 secs Computing kpt #: 147 total cpu time spent up to now is 80.9 secs Computing kpt #: 148 total cpu time spent up to now is 81.4 secs Computing kpt #: 149 total cpu time spent up to now is 81.9 secs Computing kpt #: 150 total cpu time spent up to now is 82.4 secs Computing kpt #: 151 total cpu time spent up to now is 82.9 secs Computing kpt #: 152 total cpu time spent up to now is 83.4 secs Computing kpt #: 153 total cpu time spent up to now is 84.2 secs Computing kpt #: 154 total cpu time spent up to now is 84.7 secs Computing kpt #: 155 total cpu time spent up to now is 85.2 secs Computing kpt #: 156 total cpu time spent up to now is 85.7 secs Computing kpt #: 157 total cpu time spent up to now is 86.2 secs Computing kpt #: 158 total cpu time spent up to now is 86.7 secs Computing kpt #: 159 total cpu time spent up to now is 87.3 secs Computing kpt #: 160 total cpu time spent up to now is 88.1 secs Computing kpt #: 161 total cpu time spent up to now is 88.7 secs Computing kpt #: 162 total cpu time spent up to now is 89.7 secs Computing kpt #: 163 total cpu time spent up to now is 90.8 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 165 total cpu time spent up to now is 92.5 secs Computing kpt #: 166 total cpu time spent up to now is 93.0 secs Computing kpt #: 167 total cpu time spent up to now is 94.1 secs Computing kpt #: 168 total cpu time spent up to now is 94.8 secs Computing kpt #: 169 total cpu time spent up to now is 95.3 secs Computing kpt #: 170 total cpu time spent up to now is 95.9 secs Computing kpt #: 171 total cpu time spent up to now is 96.3 secs Computing kpt #: 172 total cpu time spent up to now is 96.8 secs Computing kpt #: 173 total cpu time spent up to now is 97.2 secs Computing kpt #: 174 total cpu time spent up to now is 97.7 secs Computing kpt #: 175 total cpu time spent up to now is 98.1 secs Computing kpt #: 176 total cpu time spent up to now is 98.5 secs Computing kpt #: 177 total cpu time spent up to now is 98.8 secs Computing kpt #: 178 total cpu time spent up to now is 99.2 secs Computing kpt #: 179 total cpu time spent up to now is 99.6 secs Computing kpt #: 180 total cpu time spent up to now is 99.9 secs Computing kpt #: 181 total cpu time spent up to now is 100.3 secs Computing kpt #: 182 total cpu time spent up to now is 100.7 secs Computing kpt #: 183 total cpu time spent up to now is 101.0 secs Computing kpt #: 184 total cpu time spent up to now is 101.4 secs Computing kpt #: 185 total cpu time spent up to now is 101.7 secs Computing kpt #: 186 total cpu time spent up to now is 102.1 secs Computing kpt #: 187 total cpu time spent up to now is 102.4 secs Computing kpt #: 188 total cpu time spent up to now is 102.7 secs Computing kpt #: 189 total cpu time spent up to now is 103.1 secs Computing kpt #: 190 total cpu time spent up to now is 103.4 secs Computing kpt #: 191 total cpu time spent up to now is 103.8 secs Computing kpt #: 192 total cpu time spent up to now is 104.1 secs Computing kpt #: 193 total cpu time spent up to now is 104.4 secs Computing kpt #: 194 total cpu time spent up to now is 104.7 secs Computing kpt #: 195 total cpu time spent up to now is 105.1 secs Computing kpt #: 196 total cpu time spent up to now is 105.4 secs Computing kpt #: 197 total cpu time spent up to now is 105.7 secs Computing kpt #: 198 total cpu time spent up to now is 106.0 secs Computing kpt #: 199 total cpu time spent up to now is 106.4 secs Computing kpt #: 200 total cpu time spent up to now is 106.7 secs Computing kpt #: 201 total cpu time spent up to now is 107.0 secs Computing kpt #: 202 total cpu time spent up to now is 107.3 secs Computing kpt #: 203 total cpu time spent up to now is 107.6 secs Computing kpt #: 204 total cpu time spent up to now is 107.9 secs Computing kpt #: 205 total cpu time spent up to now is 108.2 secs Computing kpt #: 206 total cpu time spent up to now is 108.5 secs Computing kpt #: 207 total cpu time spent up to now is 108.8 secs Computing kpt #: 208 total cpu time spent up to now is 109.1 secs Computing kpt #: 209 total cpu time spent up to now is 109.4 secs Computing kpt #: 210 total cpu time spent up to now is 109.7 secs Computing kpt #: 211 total cpu time spent up to now is 110.0 secs Computing kpt #: 212 total cpu time spent up to now is 110.3 secs Computing kpt #: 213 total cpu time spent up to now is 110.6 secs Computing kpt #: 214 total cpu time spent up to now is 110.9 secs Computing kpt #: 215 total cpu time spent up to now is 111.2 secs Computing kpt #: 216 total cpu time spent up to now is 111.5 secs Computing kpt #: 217 total cpu time spent up to now is 111.8 secs Computing kpt #: 218 total cpu time spent up to now is 112.1 secs Computing kpt #: 219 total cpu time spent up to now is 112.4 secs Computing kpt #: 220 total cpu time spent up to now is 112.7 secs Computing kpt #: 221 total cpu time spent up to now is 113.0 secs Computing kpt #: 222 total cpu time spent up to now is 113.4 secs Computing kpt #: 223 total cpu time spent up to now is 113.7 secs Computing kpt #: 224 total cpu time spent up to now is 114.0 secs Computing kpt #: 225 total cpu time spent up to now is 114.3 secs Computing kpt #: 226 total cpu time spent up to now is 114.7 secs Computing kpt #: 227 total cpu time spent up to now is 115.0 secs Computing kpt #: 228 total cpu time spent up to now is 115.4 secs Computing kpt #: 229 total cpu time spent up to now is 115.7 secs Computing kpt #: 230 total cpu time spent up to now is 116.1 secs Computing kpt #: 231 total cpu time spent up to now is 116.5 secs Computing kpt #: 232 total cpu time spent up to now is 116.8 secs Computing kpt #: 233 total cpu time spent up to now is 117.2 secs Computing kpt #: 234 total cpu time spent up to now is 117.6 secs Computing kpt #: 235 total cpu time spent up to now is 117.9 secs Computing kpt #: 236 total cpu time spent up to now is 118.3 secs Computing kpt #: 237 total cpu time spent up to now is 119.0 secs Computing kpt #: 238 total cpu time spent up to now is 119.4 secs Computing kpt #: 239 total cpu time spent up to now is 119.8 secs Computing kpt #: 240 total cpu time spent up to now is 120.2 secs Computing kpt #: 241 total cpu time spent up to now is 120.6 secs Computing kpt #: 242 total cpu time spent up to now is 121.1 secs Computing kpt #: 243 total cpu time spent up to now is 121.5 secs Computing kpt #: 244 total cpu time spent up to now is 121.9 secs Computing kpt #: 245 total cpu time spent up to now is 122.3 secs Computing kpt #: 246 total cpu time spent up to now is 122.7 secs Computing kpt #: 247 total cpu time spent up to now is 123.1 secs Computing kpt #: 248 total cpu time spent up to now is 123.6 secs Computing kpt #: 249 total cpu time spent up to now is 124.0 secs Computing kpt #: 250 total cpu time spent up to now is 124.4 secs Computing kpt #: 251 total cpu time spent up to now is 124.8 secs Computing kpt #: 252 total cpu time spent up to now is 125.3 secs Computing kpt #: 253 total cpu time spent up to now is 125.7 secs Computing kpt #: 254 total cpu time spent up to now is 126.1 secs Computing kpt #: 255 total cpu time spent up to now is 126.5 secs Computing kpt #: 256 total cpu time spent up to now is 127.0 secs Computing kpt #: 257 total cpu time spent up to now is 127.4 secs Computing kpt #: 258 total cpu time spent up to now is 127.9 secs Computing kpt #: 259 total cpu time spent up to now is 128.3 secs Computing kpt #: 260 total cpu time spent up to now is 128.7 secs Computing kpt #: 261 total cpu time spent up to now is 129.2 secs Computing kpt #: 262 total cpu time spent up to now is 129.6 secs Computing kpt #: 263 total cpu time spent up to now is 130.1 secs Computing kpt #: 264 total cpu time spent up to now is 130.5 secs Computing kpt #: 265 total cpu time spent up to now is 131.0 secs Computing kpt #: 266 total cpu time spent up to now is 131.5 secs Computing kpt #: 267 total cpu time spent up to now is 132.0 secs Computing kpt #: 268 total cpu time spent up to now is 132.5 secs Computing kpt #: 269 total cpu time spent up to now is 133.0 secs Computing kpt #: 270 total cpu time spent up to now is 133.5 secs Computing kpt #: 271 total cpu time spent up to now is 134.0 secs Computing kpt #: 272 total cpu time spent up to now is 134.5 secs Computing kpt #: 273 total cpu time spent up to now is 135.0 secs Computing kpt #: 274 total cpu time spent up to now is 135.4 secs Computing kpt #: 275 total cpu time spent up to now is 135.9 secs Computing kpt #: 276 total cpu time spent up to now is 136.3 secs Computing kpt #: 277 total cpu time spent up to now is 136.7 secs Computing kpt #: 278 total cpu time spent up to now is 137.2 secs Computing kpt #: 279 total cpu time spent up to now is 137.6 secs Computing kpt #: 280 total cpu time spent up to now is 138.1 secs Computing kpt #: 281 total cpu time spent up to now is 138.5 secs Computing kpt #: 282 total cpu time spent up to now is 138.9 secs Computing kpt #: 283 total cpu time spent up to now is 139.4 secs Computing kpt #: 284 total cpu time spent up to now is 139.8 secs Computing kpt #: 285 total cpu time spent up to now is 140.2 secs Computing kpt #: 286 total cpu time spent up to now is 140.6 secs Computing kpt #: 287 total cpu time spent up to now is 141.0 secs Computing kpt #: 288 total cpu time spent up to now is 141.3 secs Computing kpt #: 289 total cpu time spent up to now is 141.7 secs Computing kpt #: 290 total cpu time spent up to now is 142.0 secs Computing kpt #: 291 total cpu time spent up to now is 142.4 secs Computing kpt #: 292 total cpu time spent up to now is 142.7 secs Computing kpt #: 293 total cpu time spent up to now is 143.1 secs Computing kpt #: 294 total cpu time spent up to now is 143.5 secs Computing kpt #: 295 total cpu time spent up to now is 143.8 secs Computing kpt #: 296 total cpu time spent up to now is 144.2 secs Computing kpt #: 297 total cpu time spent up to now is 144.5 secs Computing kpt #: 298 total cpu time spent up to now is 144.8 secs Computing kpt #: 299 total cpu time spent up to now is 145.2 secs Computing kpt #: 300 total cpu time spent up to now is 145.5 secs Computing kpt #: 301 total cpu time spent up to now is 145.8 secs Computing kpt #: 302 total cpu time spent up to now is 146.1 secs Computing kpt #: 303 total cpu time spent up to now is 146.4 secs Computing kpt #: 304 total cpu time spent up to now is 146.8 secs Computing kpt #: 305 total cpu time spent up to now is 147.1 secs Computing kpt #: 306 total cpu time spent up to now is 147.4 secs Computing kpt #: 307 total cpu time spent up to now is 147.7 secs Computing kpt #: 308 total cpu time spent up to now is 148.0 secs Computing kpt #: 309 total cpu time spent up to now is 148.2 secs Computing kpt #: 310 total cpu time spent up to now is 148.5 secs Computing kpt #: 311 total cpu time spent up to now is 148.8 secs Computing kpt #: 312 total cpu time spent up to now is 149.1 secs Computing kpt #: 313 total cpu time spent up to now is 149.4 secs Computing kpt #: 314 total cpu time spent up to now is 149.7 secs Computing kpt #: 315 total cpu time spent up to now is 150.0 secs Computing kpt #: 316 total cpu time spent up to now is 150.3 secs Computing kpt #: 317 total cpu time spent up to now is 150.7 secs Computing kpt #: 318 total cpu time spent up to now is 151.0 secs Computing kpt #: 319 total cpu time spent up to now is 151.3 secs Computing kpt #: 320 total cpu time spent up to now is 151.6 secs Computing kpt #: 321 total cpu time spent up to now is 152.0 secs Computing kpt #: 322 total cpu time spent up to now is 152.3 secs Computing kpt #: 323 total cpu time spent up to now is 152.7 secs Computing kpt #: 324 total cpu time spent up to now is 153.0 secs Computing kpt #: 325 total cpu time spent up to now is 153.4 secs Computing kpt #: 326 total cpu time spent up to now is 153.9 secs Computing kpt #: 327 total cpu time spent up to now is 154.2 secs Computing kpt #: 328 total cpu time spent up to now is 154.6 secs Computing kpt #: 329 total cpu time spent up to now is 154.9 secs Computing kpt #: 330 total cpu time spent up to now is 155.3 secs Computing kpt #: 331 total cpu time spent up to now is 155.7 secs Computing kpt #: 332 total cpu time spent up to now is 156.1 secs Computing kpt #: 333 total cpu time spent up to now is 156.5 secs Computing kpt #: 334 total cpu time spent up to now is 156.9 secs Computing kpt #: 335 total cpu time spent up to now is 157.3 secs Computing kpt #: 336 total cpu time spent up to now is 157.7 secs Computing kpt #: 337 total cpu time spent up to now is 158.1 secs Computing kpt #: 338 total cpu time spent up to now is 158.5 secs Computing kpt #: 339 total cpu time spent up to now is 158.9 secs Computing kpt #: 340 total cpu time spent up to now is 159.3 secs Computing kpt #: 341 total cpu time spent up to now is 159.8 secs Computing kpt #: 342 total cpu time spent up to now is 160.2 secs Computing kpt #: 343 total cpu time spent up to now is 160.6 secs Computing kpt #: 344 total cpu time spent up to now is 161.1 secs Computing kpt #: 345 total cpu time spent up to now is 161.5 secs Computing kpt #: 346 total cpu time spent up to now is 161.9 secs Computing kpt #: 347 total cpu time spent up to now is 162.4 secs Computing kpt #: 348 total cpu time spent up to now is 162.8 secs Computing kpt #: 349 total cpu time spent up to now is 163.2 secs Computing kpt #: 350 total cpu time spent up to now is 163.7 secs Computing kpt #: 351 total cpu time spent up to now is 164.1 secs Computing kpt #: 352 total cpu time spent up to now is 164.6 secs Computing kpt #: 353 total cpu time spent up to now is 165.0 secs Computing kpt #: 354 total cpu time spent up to now is 165.5 secs Computing kpt #: 355 total cpu time spent up to now is 166.0 secs Computing kpt #: 356 total cpu time spent up to now is 166.7 secs Computing kpt #: 357 total cpu time spent up to now is 167.3 secs Computing kpt #: 358 total cpu time spent up to now is 167.9 secs Computing kpt #: 359 total cpu time spent up to now is 168.5 secs Computing kpt #: 360 total cpu time spent up to now is 169.1 secs Computing kpt #: 361 total cpu time spent up to now is 169.7 secs Computing kpt #: 362 total cpu time spent up to now is 170.1 secs Computing kpt #: 363 total cpu time spent up to now is 170.6 secs Computing kpt #: 364 total cpu time spent up to now is 171.0 secs Computing kpt #: 365 total cpu time spent up to now is 171.4 secs ethr = 2.94E-08, avg # of iterations = 24.2 total cpu time spent up to now is 171.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6333 -35.6333 -34.4258 -34.4258 -34.4258 -34.4258 3.6785 3.6785 9.7782 9.7782 9.7782 9.7782 10.0272 10.0272 10.0272 10.0272 10.0561 10.0561 11.0784 11.0784 11.0784 11.0784 11.1032 11.1032 12.8833 12.8833 12.8833 12.8833 12.9578 12.9578 13.3200 13.3200 13.3200 13.3200 13.4054 13.4054 13.4054 13.4054 18.8257 18.8257 k = 0.0091-0.0052 0.0074 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6334 -35.6334 -34.4258 -34.4258 -34.4258 -34.4258 3.6800 3.6800 9.7755 9.7755 9.7789 9.7789 10.0279 10.0279 10.0286 10.0286 10.0570 10.0570 11.0777 11.0777 11.0787 11.0787 11.1030 11.1030 12.8815 12.8815 12.8822 12.8822 12.9562 12.9562 13.3199 13.3199 13.3214 13.3214 13.4048 13.4048 13.4055 13.4055 18.8061 18.8062 k = 0.0182-0.0105 0.0148 ( 4003 PWs) bands (ev): -65.8821 -65.8821 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.6847 3.6847 9.7685 9.7685 9.7813 9.7813 10.0297 10.0297 10.0326 10.0326 10.0597 10.0597 11.0775 11.0775 11.0847 11.0847 11.1069 11.1069 12.8767 12.8767 12.8798 12.8798 12.9521 12.9521 13.3198 13.3198 13.3255 13.3255 13.4038 13.4038 13.4087 13.4087 18.7485 18.7509 k = 0.0273-0.0157 0.0223 ( 3991 PWs) bands (ev): -65.8806 -65.8806 -35.6333 -35.6333 -34.4257 -34.4257 -34.4257 -34.4257 3.6925 3.6925 9.7559 9.7559 9.7857 9.7857 10.0328 10.0328 10.0386 10.0386 10.0645 10.0645 11.0756 11.0756 11.0906 11.0906 11.1113 11.1113 12.8687 12.8687 12.8750 12.8750 12.9451 12.9451 13.3196 13.3196 13.3320 13.3320 13.4039 13.4039 13.4096 13.4096 18.6659 18.6768 k = 0.0364-0.0210 0.0297 ( 3971 PWs) bands (ev): -65.8782 -65.8782 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7034 3.7034 9.7414 9.7414 9.7909 9.7909 10.0371 10.0371 10.0460 10.0460 10.0714 10.0714 11.0733 11.0733 11.0979 11.0979 11.1174 11.1174 12.8576 12.8576 12.8680 12.8680 12.9357 12.9357 13.3194 13.3194 13.3406 13.3406 13.4006 13.4006 13.4200 13.4200 18.5770 18.5773 k = 0.0455-0.0262 0.0371 ( 3963 PWs) bands (ev): -65.8773 -65.8773 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7173 3.7173 9.7212 9.7212 9.7976 9.7976 10.0426 10.0426 10.0540 10.0540 10.0803 10.0803 11.0637 11.0637 11.1039 11.1039 11.1225 11.1225 12.8431 12.8431 12.8585 12.8585 12.9239 12.9239 13.3190 13.3190 13.3504 13.3504 13.3972 13.3972 13.4220 13.4220 18.4816 18.4818 k = 0.0545-0.0315 0.0445 ( 3959 PWs) bands (ev): -65.8768 -65.8768 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7343 3.7343 9.6977 9.6977 9.8051 9.8051 10.0493 10.0493 10.0627 10.0627 10.0910 10.0910 11.0527 11.0527 11.1084 11.1084 11.1265 11.1265 12.8262 12.8262 12.8467 12.8467 12.9099 12.9099 13.3186 13.3186 13.3612 13.3612 13.3905 13.3905 13.4235 13.4235 18.3807 18.3809 k = 0.0636-0.0367 0.0520 ( 3959 PWs) bands (ev): -65.8768 -65.8768 -35.6333 -35.6333 -34.4256 -34.4256 -34.4256 -34.4256 3.7543 3.7543 9.6707 9.6707 9.8149 9.8149 10.0572 10.0572 10.0720 10.0720 10.1027 10.1027 11.0393 11.0393 11.1119 11.1119 11.1295 11.1295 12.8075 12.8075 12.8326 12.8326 12.8942 12.8942 13.3181 13.3181 13.3723 13.3723 13.3856 13.3856 13.4197 13.4197 18.2752 18.2754 k = 0.0727-0.0420 0.0594 ( 3967 PWs) bands (ev): -65.8778 -65.8778 -35.6333 -35.6333 -34.4257 -34.4257 -34.4257 -34.4257 3.7773 3.7773 9.6420 9.6420 9.8248 9.8248 10.0663 10.0663 10.0820 10.0820 10.1155 10.1155 11.0214 11.0214 11.1123 11.1123 11.1297 11.1297 12.7872 12.7872 12.8161 12.8161 12.8764 12.8764 13.3176 13.3176 13.3746 13.3746 13.3836 13.3836 13.4199 13.4199 18.1645 18.1646 k = 0.0818-0.0472 0.0668 ( 3975 PWs) bands (ev): -65.8789 -65.8789 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8034 3.8034 9.6114 9.6114 9.8356 9.8356 10.0765 10.0765 10.0930 10.0930 10.1290 10.1290 11.0008 11.0008 11.1134 11.1134 11.1305 11.1305 12.7662 12.7662 12.7978 12.7978 12.8572 12.8572 13.3169 13.3169 13.3611 13.3611 13.3942 13.3942 13.4219 13.4219 18.0508 18.0509 k = 0.0909-0.0525 0.0742 ( 3967 PWs) bands (ev): -65.8779 -65.8779 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8325 3.8325 9.5793 9.5793 9.8491 9.8491 10.0879 10.0879 10.1049 10.1049 10.1429 10.1429 10.9819 10.9819 11.1202 11.1202 11.1370 11.1370 12.7450 12.7450 12.7784 12.7784 12.8369 12.8369 13.3163 13.3163 13.3516 13.3516 13.4049 13.4049 13.4255 13.4255 17.9373 17.9373 k = 0.1000-0.0577 0.0816 ( 3967 PWs) bands (ev): -65.8779 -65.8779 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8646 3.8646 9.5451 9.5451 9.8633 9.8633 10.1004 10.1004 10.1178 10.1178 10.1571 10.1571 10.9565 10.9565 11.1262 11.1262 11.1428 11.1428 12.7236 12.7236 12.7570 12.7570 12.8151 12.8151 13.3156 13.3156 13.3388 13.3388 13.4144 13.4144 13.4280 13.4280 17.8210 17.8211 k = 0.1091-0.0630 0.0891 ( 3975 PWs) bands (ev): -65.8789 -65.8789 -35.6333 -35.6333 -34.4259 -34.4259 -34.4257 -34.4257 3.8996 3.8996 9.5078 9.5078 9.8787 9.8787 10.1140 10.1140 10.1317 10.1317 10.1706 10.1706 10.9286 10.9286 11.1314 11.1314 11.1479 11.1479 12.7025 12.7025 12.7340 12.7340 12.7918 12.7918 13.3148 13.3148 13.3246 13.3246 13.4220 13.4220 13.4230 13.4230 17.7024 17.7024 k = 0.1182-0.0682 0.0965 ( 3975 PWs) bands (ev): -65.8790 -65.8790 -35.6334 -35.6334 -34.4259 -34.4259 -34.4257 -34.4257 3.9377 3.9377 9.4705 9.4705 9.8955 9.8955 10.1286 10.1286 10.1466 10.1466 10.1849 10.1849 10.8982 10.8982 11.1387 11.1387 11.1550 11.1550 12.6820 12.6820 12.7097 12.7097 12.7677 12.7677 13.3094 13.3094 13.3139 13.3139 13.4247 13.4247 13.4306 13.4306 17.5832 17.5832 k = 0.1273-0.0735 0.1039 ( 3983 PWs) bands (ev): -65.8800 -65.8800 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 3.9786 3.9786 9.4314 9.4314 9.9133 9.9133 10.1443 10.1443 10.1624 10.1624 10.1988 10.1988 10.8655 10.8655 11.1434 11.1434 11.1595 11.1595 12.6621 12.6621 12.6837 12.6837 12.7423 12.7423 13.2920 13.2920 13.3130 13.3130 13.4244 13.4244 13.4372 13.4372 17.4611 17.4611 k = 0.1364-0.0787 0.1113 ( 3983 PWs) bands (ev): -65.8800 -65.8800 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 4.0225 4.0225 9.3916 9.3916 9.9326 9.9326 10.1610 10.1610 10.1792 10.1792 10.2130 10.2130 10.8305 10.8305 11.1520 11.1520 11.1680 11.1680 12.6430 12.6430 12.6570 12.6570 12.7166 12.7166 13.2745 13.2745 13.3121 13.3121 13.4272 13.4272 13.4427 13.4427 17.3402 17.3402 k = 0.1455-0.0840 0.1188 ( 3999 PWs) bands (ev): -65.8819 -65.8819 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.0692 4.0692 9.3508 9.3508 9.9533 9.9533 10.1786 10.1786 10.1967 10.1967 10.2268 10.2268 10.7907 10.7907 11.1530 11.1530 11.1688 11.1688 12.6243 12.6243 12.6283 12.6283 12.6901 12.6901 13.2557 13.2557 13.3112 13.3112 13.4302 13.4302 13.4461 13.4461 17.2139 17.2139 k = 0.1545-0.0892 0.1262 ( 3999 PWs) bands (ev): -65.8820 -65.8820 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.1188 4.1188 9.3089 9.3089 9.9750 9.9750 10.1972 10.1972 10.2150 10.2150 10.2406 10.2406 10.7515 10.7515 11.1631 11.1631 11.1787 11.1787 12.5996 12.5996 12.6058 12.6058 12.6646 12.6646 13.2358 13.2358 13.3103 13.3103 13.4331 13.4331 13.4492 13.4492 17.0921 17.0921 k = 0.1636-0.0945 0.1336 ( 3983 PWs) bands (ev): -65.8800 -65.8800 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.1714 4.1714 9.2690 9.2690 9.9980 9.9980 10.2167 10.2167 10.2342 10.2342 10.2558 10.2558 10.7105 10.7105 11.1764 11.1764 11.1917 11.1917 12.5704 12.5704 12.5867 12.5867 12.6409 12.6409 13.2150 13.2150 13.3094 13.3094 13.4513 13.4513 13.4525 13.4525 16.9719 16.9719 k = 0.1727-0.0997 0.1410 ( 3983 PWs) bands (ev): -65.8801 -65.8801 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.2266 4.2266 9.2254 9.2254 10.0220 10.0220 10.2371 10.2371 10.2531 10.2531 10.2697 10.2697 10.6676 10.6676 11.1880 11.1880 11.2030 11.2030 12.5402 12.5402 12.5655 12.5655 12.6199 12.6199 13.1930 13.1930 13.3084 13.3084 13.4522 13.4522 13.4551 13.4551 16.8501 16.8501 k = 0.1818-0.1050 0.1485 ( 4000 PWs) bands (ev): -65.8822 -65.8822 -35.6335 -35.6335 -34.4262 -34.4262 -34.4258 -34.4258 4.2845 4.2845 9.1810 9.1810 10.0459 10.0459 10.2580 10.2580 10.2701 10.2701 10.2852 10.2852 10.6209 10.6209 11.1942 11.1942 11.2090 11.2090 12.5089 12.5089 12.5409 12.5409 12.6027 12.6027 13.1647 13.1647 13.3073 13.3073 13.4509 13.4509 13.4561 13.4561 16.7248 16.7248 k = 0.1909-0.1102 0.1559 ( 4000 PWs) bands (ev): -65.8822 -65.8822 -35.6336 -35.6336 -34.4262 -34.4262 -34.4258 -34.4258 4.3451 4.3451 9.1363 9.1363 10.0721 10.0721 10.2797 10.2797 10.2839 10.2839 10.3040 10.3040 10.5753 10.5753 11.2075 11.2075 11.2219 11.2219 12.4777 12.4777 12.5140 12.5140 12.5897 12.5897 13.1405 13.1405 13.3063 13.3063 13.4496 13.4496 13.4587 13.4587 16.6036 16.6036 k = 0.2000-0.1155 0.1633 ( 4000 PWs) bands (ev): -65.8823 -65.8823 -35.6336 -35.6336 -34.4263 -34.4263 -34.4259 -34.4259 4.4084 4.4084 9.0912 9.0912 10.0995 10.0995 10.2950 10.2950 10.3021 10.3021 10.3253 10.3253 10.5285 10.5285 11.2217 11.2217 11.2357 11.2357 12.4462 12.4462 12.4852 12.4852 12.5797 12.5797 13.1154 13.1154 13.3052 13.3052 13.4473 13.4473 13.4612 13.4612 16.4830 16.4830 k = 0.2091-0.1207 0.1707 ( 4000 PWs) bands (ev): -65.8823 -65.8823 -35.6336 -35.6336 -34.4263 -34.4263 -34.4259 -34.4259 4.4743 4.4743 9.0459 9.0459 10.1279 10.1279 10.3042 10.3042 10.3249 10.3249 10.3478 10.3478 10.4810 10.4810 11.2368 11.2368 11.2503 11.2503 12.4145 12.4145 12.4554 12.4554 12.5723 12.5723 13.0892 13.0892 13.3041 13.3041 13.4440 13.4440 13.4638 13.4638 16.3631 16.3631 k = 0.2182-0.1260 0.1781 ( 4000 PWs) bands (ev): -65.8823 -65.8823 -35.6336 -35.6336 -34.4264 -34.4264 -34.4259 -34.4259 4.5428 4.5428 9.0001 9.0001 10.1566 10.1566 10.3118 10.3118 10.3478 10.3478 10.3713 10.3713 10.4321 10.4321 11.2554 11.2554 11.2683 11.2683 12.3831 12.3831 12.4252 12.4252 12.5666 12.5666 13.0585 13.0585 13.3030 13.3030 13.4391 13.4391 13.4645 13.4645 16.2459 16.2459 k = 0.2273-0.1312 0.1856 ( 3996 PWs) bands (ev): -65.8818 -65.8818 -35.6336 -35.6336 -34.4264 -34.4264 -34.4259 -34.4259 4.6138 4.6138 8.9551 8.9551 10.1869 10.1869 10.3181 10.3181 10.3640 10.3640 10.3911 10.3911 10.3953 10.3953 11.2732 11.2732 11.2855 11.2855 12.3514 12.3514 12.3945 12.3945 12.5630 12.5630 13.0306 13.0306 13.3019 13.3019 13.4339 13.4339 13.4705 13.4705 16.1281 16.1281 k = 0.2364-0.1365 0.1930 ( 4004 PWs) bands (ev): -65.8828 -65.8828 -35.6337 -35.6337 -34.4264 -34.4264 -34.4259 -34.4259 4.6871 4.6871 8.9095 8.9095 10.2180 10.2180 10.3223 10.3223 10.3260 10.3260 10.4010 10.4010 10.4196 10.4196 11.2890 11.2890 11.3006 11.3006 12.3198 12.3198 12.3637 12.3637 12.5606 12.5606 13.0014 13.0014 13.3008 13.3008 13.4256 13.4256 13.4723 13.4723 16.0093 16.0093 k = 0.2455-0.1417 0.2004 ( 4016 PWs) bands (ev): -65.8843 -65.8843 -35.6337 -35.6337 -34.4266 -34.4266 -34.4260 -34.4260 4.7627 4.7627 8.8624 8.8624 10.2489 10.2489 10.2789 10.2789 10.3231 10.3231 10.4246 10.4246 10.4441 10.4441 11.3061 11.3061 11.3169 11.3169 12.2886 12.2886 12.3332 12.3332 12.5598 12.5598 12.9716 12.9716 13.2996 13.2996 13.4185 13.4185 13.4623 13.4623 15.8917 15.8917 k = 0.2545-0.1470 0.2078 ( 4016 PWs) bands (ev): -65.8843 -65.8843 -35.6337 -35.6337 -34.4266 -34.4266 -34.4260 -34.4260 4.8406 4.8406 8.8174 8.8174 10.2272 10.2272 10.2846 10.2846 10.3232 10.3232 10.4494 10.4494 10.4689 10.4689 11.3259 11.3259 11.3358 11.3358 12.2579 12.2579 12.3031 12.3031 12.5604 12.5604 12.9410 12.9410 13.2984 13.2984 13.4108 13.4108 13.4644 13.4644 15.7764 15.7764 k = 0.2636-0.1522 0.2153 ( 4016 PWs) bands (ev): -65.8843 -65.8843 -35.6338 -35.6338 -34.4266 -34.4266 -34.4260 -34.4260 4.9208 4.9208 8.7728 8.7728 10.1787 10.1787 10.3179 10.3179 10.3211 10.3211 10.4745 10.4745 10.4939 10.4939 11.3466 11.3466 11.3555 11.3555 12.2279 12.2279 12.2737 12.2737 12.5622 12.5622 12.9097 12.9097 13.2973 13.2973 13.4023 13.4023 13.4664 13.4664 15.6624 15.6624 k = 0.2727-0.1575 0.2227 ( 4016 PWs) bands (ev): -65.8843 -65.8843 -35.6338 -35.6338 -34.4267 -34.4267 -34.4260 -34.4260 5.0030 5.0030 8.7286 8.7286 10.1302 10.1302 10.3164 10.3164 10.3524 10.3524 10.4997 10.4997 10.5189 10.5189 11.3681 11.3681 11.3759 11.3759 12.1988 12.1988 12.2452 12.2452 12.5650 12.5650 12.8778 12.8778 13.2962 13.2962 13.3931 13.3931 13.4684 13.4684 15.5496 15.5496 k = 0.2818-0.1627 0.2301 ( 4028 PWs) bands (ev): -65.8858 -65.8858 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.0872 5.0872 8.6843 8.6843 10.0819 10.0819 10.3085 10.3085 10.3874 10.3874 10.5242 10.5242 10.5431 10.5431 11.3862 11.3862 11.3927 11.3927 12.1705 12.1705 12.2176 12.2176 12.5687 12.5687 12.8442 12.8442 13.2951 13.2951 13.3832 13.3832 13.4661 13.4661 15.4351 15.4351 k = 0.2909-0.1680 0.2375 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.1734 5.1734 8.6418 8.6418 10.0347 10.0347 10.2987 10.2987 10.4232 10.4232 10.5493 10.5493 10.5678 10.5678 11.4091 11.4091 11.4144 11.4144 12.1437 12.1437 12.1914 12.1914 12.5732 12.5732 12.8112 12.8112 13.2941 13.2941 13.3728 13.3728 13.4735 13.4735 15.3251 15.3251 k = 0.3000-0.1732 0.2449 ( 4020 PWs) bands (ev): -65.8848 -65.8848 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.2614 5.2614 8.5997 8.5997 9.9884 9.9884 10.2857 10.2857 10.4597 10.4597 10.5743 10.5743 10.5924 10.5924 11.4331 11.4331 11.4369 11.4369 12.1186 12.1186 12.1669 12.1669 12.5783 12.5783 12.7780 12.7780 13.2931 13.2931 13.3620 13.3620 13.4787 13.4787 15.2172 15.2172 k = 0.3091-0.1785 0.2524 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 5.3508 5.3508 8.5571 8.5571 9.9432 9.9432 10.2688 10.2688 10.4966 10.4966 10.5990 10.5990 10.6166 10.6166 11.4564 11.4564 11.4587 11.4587 12.0953 12.0953 12.1443 12.1443 12.5836 12.5836 12.7448 12.7448 13.2920 13.2920 13.3506 13.3506 13.4751 13.4751 15.1101 15.1102 k = 0.3182-0.1837 0.2598 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 5.4419 5.4419 8.5157 8.5157 9.8992 9.8992 10.2489 10.2489 10.5340 10.5340 10.6233 10.6233 10.6404 10.6404 11.4796 11.4796 11.4804 11.4804 12.0744 12.0744 12.1240 12.1240 12.5885 12.5885 12.7124 12.7124 13.2910 13.2910 13.3388 13.3388 13.4768 13.4768 15.0031 15.0031 k = 0.3273-0.1890 0.2672 ( 4032 PWs) bands (ev): -65.8863 -65.8863 -35.6339 -35.6339 -34.4270 -34.4270 -34.4261 -34.4261 5.5342 5.5342 8.4749 8.4749 9.8562 9.8562 10.2255 10.2255 10.5714 10.5714 10.6463 10.6463 10.6628 10.6628 11.4986 11.4986 11.4993 11.4993 12.0565 12.0565 12.1066 12.1066 12.5910 12.5910 12.6814 12.6814 13.2900 13.2900 13.3262 13.3262 13.4776 13.4776 14.8945 14.8945 k = 0.3364-0.1942 0.2746 ( 4028 PWs) bands (ev): -65.8858 -65.8858 -35.6339 -35.6339 -34.4270 -34.4270 -34.4261 -34.4261 5.6278 5.6278 8.4353 8.4353 9.8168 9.8168 10.1991 10.1991 10.6076 10.6076 10.6702 10.6702 10.6862 10.6862 11.5195 11.5195 11.5215 11.5215 12.0421 12.0421 12.0925 12.0925 12.5840 12.5840 12.6542 12.6542 13.2890 13.2890 13.3160 13.3160 13.4837 13.4837 14.7909 14.7909 k = 0.3455-0.1994 0.2821 ( 4028 PWs) bands (ev): -65.8858 -65.8858 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 5.7222 5.7222 8.3959 8.3959 9.7773 9.7773 10.1691 10.1691 10.6457 10.6457 10.6930 10.6930 10.7084 10.7084 11.5374 11.5374 11.5405 11.5405 12.0320 12.0320 12.0825 12.0825 12.5651 12.5651 12.6464 12.6464 13.2881 13.2881 13.3033 13.3033 13.4855 13.4855 14.6884 14.6884 k = 0.3545-0.2047 0.2895 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 5.8172 5.8172 8.3569 8.3569 9.7407 9.7407 10.1355 10.1355 10.6849 10.6849 10.7153 10.7153 10.7300 10.7300 11.5531 11.5531 11.5568 11.5568 12.0269 12.0269 12.0769 12.0769 12.5412 12.5412 12.6492 12.6492 13.2872 13.2872 13.2922 13.2922 13.4841 13.4841 14.5888 14.5889 k = 0.3636-0.2099 0.2969 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 5.9128 5.9128 8.3186 8.3186 9.7047 9.7047 10.0992 10.0992 10.7227 10.7227 10.7367 10.7367 10.7508 10.7508 11.5657 11.5657 11.5693 11.5693 12.0275 12.0275 12.0764 12.0764 12.5089 12.5089 12.6554 12.6554 13.2793 13.2793 13.2863 13.2863 13.4860 13.4860 14.4924 14.4924 k = 0.3727-0.2152 0.3043 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.0085 6.0085 8.2809 8.2809 9.6705 9.6705 10.0602 10.0602 10.7570 10.7570 10.7606 10.7606 10.7709 10.7709 11.5749 11.5749 11.5779 11.5779 12.0342 12.0342 12.0814 12.0814 12.4752 12.4752 12.6637 12.6637 13.2663 13.2663 13.2855 13.2855 13.4881 13.4881 14.3999 14.4000 k = 0.3818-0.2204 0.3118 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.1041 6.1041 8.2435 8.2435 9.6384 9.6384 10.0187 10.0187 10.7771 10.7771 10.7902 10.7902 10.7974 10.7974 11.5806 11.5806 11.5823 11.5823 12.0470 12.0470 12.0918 12.0918 12.4410 12.4410 12.6730 12.6730 13.2534 13.2534 13.2847 13.2847 13.4904 13.4904 14.3114 14.3114 k = 0.3909-0.2257 0.3192 ( 4016 PWs) bands (ev): -65.8843 -65.8843 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.1992 6.1992 8.2066 8.2066 9.6088 9.6088 9.9756 9.9756 10.7975 10.7975 10.8101 10.8101 10.8339 10.8339 11.5842 11.5842 11.5842 11.5842 12.0659 12.0659 12.1078 12.1078 12.4075 12.4075 12.6830 12.6830 13.2414 13.2414 13.2839 13.2839 13.4943 13.4943 14.2290 14.2291 k = 0.4000-0.2309 0.3266 ( 4024 PWs) bands (ev): -65.8853 -65.8853 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.2931 6.2931 8.1698 8.1698 9.5805 9.5805 9.9310 9.9310 10.8142 10.8142 10.8261 10.8261 10.8689 10.8689 11.5801 11.5801 11.5821 11.5821 12.0890 12.0890 12.1277 12.1277 12.3714 12.3714 12.6929 12.6929 13.2281 13.2281 13.2832 13.2832 13.4969 13.4969 14.1461 14.1462 k = 0.4091-0.2362 0.3340 ( 4020 PWs) bands (ev): -65.8848 -65.8848 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.3855 6.3855 8.1333 8.1333 9.5552 9.5552 9.8859 9.8859 10.8320 10.8320 10.8435 10.8435 10.9033 10.9033 11.5753 11.5753 11.5794 11.5794 12.1164 12.1164 12.1517 12.1517 12.3390 12.3390 12.7030 12.7030 13.2166 13.2166 13.2825 13.2825 13.5000 13.5000 14.0700 14.0701 k = 0.4182-0.2414 0.3414 ( 4028 PWs) bands (ev): -65.8857 -65.8857 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.4757 6.4757 8.0969 8.0969 9.5315 9.5315 9.8410 9.8410 10.8463 10.8463 10.8573 10.8573 10.9357 10.9357 11.5676 11.5676 11.5736 11.5736 12.1460 12.1460 12.1777 12.1777 12.3038 12.3038 12.7128 12.7128 13.2043 13.2043 13.2818 13.2818 13.5029 13.5029 13.9943 13.9943 k = 0.4273-0.2467 0.3489 ( 4020 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.5631 6.5631 8.0609 8.0609 9.5106 9.5106 9.7973 9.7973 10.8625 10.8625 10.8733 10.8733 10.9670 10.9670 11.5600 11.5600 11.5679 11.5679 12.1781 12.1781 12.2052 12.2053 12.2760 12.2760 12.7225 12.7225 13.1934 13.1934 13.2812 13.2812 13.5094 13.5094 13.9273 13.9273 k = 0.4364-0.2519 0.3563 ( 4024 PWs) bands (ev): -65.8852 -65.8852 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.6463 6.6463 8.0251 8.0251 9.4918 9.4918 9.7556 9.7556 10.8750 10.8750 10.8854 10.8854 10.9960 10.9960 11.5512 11.5512 11.5607 11.5607 12.2101 12.2101 12.2247 12.2247 12.2581 12.2581 12.7316 12.7316 13.1827 13.1827 13.2806 13.2806 13.5107 13.5107 13.8611 13.8611 k = 0.4455-0.2572 0.3637 ( 4024 PWs) bands (ev): -65.8852 -65.8852 -35.6341 -35.6341 -34.4274 -34.4274 -34.4261 -34.4261 6.7242 6.7242 7.9901 7.9901 9.4782 9.4782 9.7169 9.7169 10.8856 10.8856 10.8957 10.8957 11.0226 11.0226 11.5426 11.5426 11.5536 11.5536 12.2135 12.2135 12.2415 12.2415 12.2732 12.2732 12.7401 12.7401 13.1779 13.1779 13.2800 13.2800 13.5102 13.5102 13.8003 13.8006 k = 0.4545-0.2624 0.3711 ( 4024 PWs) bands (ev): -65.8852 -65.8852 -35.6341 -35.6341 -34.4274 -34.4274 -34.4261 -34.4261 6.7960 6.7960 7.9567 7.9567 9.4643 9.4643 9.6822 9.6822 10.8958 10.8958 10.9056 10.9056 11.0461 11.0461 11.5349 11.5349 11.5471 11.5471 12.1929 12.1929 12.2713 12.2713 12.2988 12.2988 12.7476 12.7476 13.1694 13.1694 13.2795 13.2795 13.5128 13.5128 13.7449 13.7459 k = 0.4636-0.2677 0.3786 ( 4024 PWs) bands (ev): -65.8852 -65.8852 -35.6341 -35.6341 -34.4274 -34.4274 -34.4262 -34.4262 6.8595 6.8595 7.9257 7.9257 9.4530 9.4530 9.6523 9.6523 10.9044 10.9044 10.9140 10.9140 11.0662 11.0662 11.5281 11.5281 11.5412 11.5412 12.1742 12.1742 12.2981 12.2981 12.3233 12.3233 12.7542 12.7542 13.1621 13.1621 13.2790 13.2790 13.5149 13.5149 13.6986 13.6991 k = 0.4727-0.2729 0.3860 ( 4016 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4274 -34.4274 -34.4261 -34.4261 6.9128 6.9128 7.8985 7.8985 9.4447 9.4447 9.6282 9.6282 10.9132 10.9132 10.9228 10.9228 11.0824 11.0824 11.5225 11.5225 11.5365 11.5365 12.1605 12.1605 12.3208 12.3208 12.3443 12.3443 12.7595 12.7595 13.1574 13.1574 13.2785 13.2785 13.5164 13.5164 13.6649 13.6649 k = 0.4818-0.2782 0.3934 ( 4004 PWs) bands (ev): -65.8827 -65.8827 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 6.9544 6.9544 7.8771 7.8771 9.4384 9.4384 9.6104 9.6104 10.9205 10.9205 10.9301 10.9301 11.0943 11.0943 11.5183 11.5183 11.5328 11.5328 12.1495 12.1495 12.3379 12.3379 12.3604 12.3604 12.7634 12.7634 13.1532 13.1532 13.2783 13.2783 13.5271 13.5271 13.6409 13.6409 k = 0.4909-0.2834 0.4008 ( 4004 PWs) bands (ev): -65.8827 -65.8827 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 6.9800 6.9800 7.8631 7.8631 9.4346 9.4346 9.5995 9.5995 10.9235 10.9235 10.9331 10.9331 11.1015 11.1015 11.5157 11.5157 11.5305 11.5305 12.1426 12.1426 12.3486 12.3486 12.3704 12.3704 12.7658 12.7658 13.1505 13.1505 13.2780 13.2780 13.5268 13.5268 13.6240 13.6241 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -65.8802 -65.8802 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.9897 6.9897 7.8582 7.8582 9.4346 9.4346 9.5960 9.5960 10.9279 10.9279 10.9377 10.9377 11.1040 11.1040 11.5148 11.5148 11.5297 11.5297 12.1441 12.1441 12.3522 12.3522 12.3738 12.3738 12.7666 12.7666 13.1521 13.1521 13.2780 13.2780 13.5379 13.5379 13.6239 13.6239 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -65.8802 -65.8802 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.9897 6.9897 7.8582 7.8582 9.4346 9.4346 9.5960 9.5960 10.9279 10.9279 10.9377 10.9377 11.1040 11.1040 11.5148 11.5148 11.5297 11.5297 12.1441 12.1441 12.3522 12.3522 12.3738 12.3738 12.7666 12.7666 13.1521 13.1521 13.2780 13.2780 13.5379 13.5379 13.6239 13.6239 k = 0.5000-0.2784 0.4155 ( 4002 PWs) bands (ev): -65.8824 -65.8824 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 6.9900 6.9900 7.8594 7.8594 9.4292 9.4292 9.5955 9.5955 10.9250 10.9250 10.9349 10.9349 11.1060 11.1060 11.5108 11.5108 11.5270 11.5270 12.1475 12.1475 12.3501 12.3501 12.3718 12.3718 12.7649 12.7649 13.1443 13.1443 13.2815 13.2815 13.5337 13.5337 13.6201 13.6201 k = 0.5000-0.2681 0.4228 ( 4006 PWs) bands (ev): -65.8829 -65.8829 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.9911 6.9911 7.8627 7.8627 9.4252 9.4252 9.5951 9.5951 10.9225 10.9225 10.9345 10.9345 11.1118 11.1118 11.4944 11.4944 11.5238 11.5238 12.1639 12.1639 12.3413 12.3413 12.3685 12.3685 12.7600 12.7600 13.1443 13.1443 13.2917 13.2917 13.5280 13.5280 13.6192 13.6195 k = 0.5000-0.2577 0.4301 ( 4006 PWs) bands (ev): -65.8829 -65.8829 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.9937 6.9937 7.8683 7.8683 9.4186 9.4186 9.5944 9.5944 10.9186 10.9186 10.9355 10.9355 11.1211 11.1211 11.4656 11.4656 11.5224 11.5224 12.1881 12.1881 12.3233 12.3233 12.3682 12.3682 12.7519 12.7519 13.1446 13.1446 13.3078 13.3078 13.5270 13.5270 13.6175 13.6175 k = 0.5000-0.2474 0.4374 ( 4018 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.9967 6.9967 7.8761 7.8761 9.4078 9.4078 9.5933 9.5933 10.9113 10.9113 10.9365 10.9365 11.1330 11.1330 11.4281 11.4281 11.5212 11.5212 12.2150 12.2150 12.2981 12.2981 12.3718 12.3718 12.7409 12.7409 13.1414 13.1414 13.3288 13.3288 13.5182 13.5182 13.6107 13.6107 k = 0.5000-0.2371 0.4447 ( 4022 PWs) bands (ev): -65.8848 -65.8848 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0009 7.0009 7.8861 7.8861 9.3960 9.3960 9.5919 9.5919 10.9038 10.9038 10.9395 10.9395 11.1471 11.1471 11.3849 11.3849 11.5198 11.5198 12.2355 12.2355 12.2732 12.2732 12.3812 12.3812 12.7272 12.7272 13.1418 13.1418 13.3535 13.3535 13.5128 13.5128 13.6035 13.6036 k = 0.5000-0.2268 0.4520 ( 4014 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0064 7.0064 7.8983 7.8983 9.3820 9.3820 9.5904 9.5904 10.8994 10.8994 10.9435 10.9435 11.1634 11.1634 11.3392 11.3392 11.5179 11.5179 12.2187 12.2187 12.2789 12.2789 12.4022 12.4022 12.7113 12.7113 13.1429 13.1429 13.3809 13.3809 13.5119 13.5119 13.6007 13.6007 k = 0.5000-0.2165 0.4593 ( 4022 PWs) bands (ev): -65.8848 -65.8848 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0124 7.0124 7.9127 7.9127 9.3649 9.3649 9.5883 9.5883 10.8923 10.8923 10.9452 10.9452 11.1803 11.1803 11.2903 11.2903 11.5150 11.5150 12.1810 12.1810 12.2885 12.2885 12.4321 12.4321 12.6933 12.6933 13.1432 13.1432 13.4094 13.4094 13.5053 13.5053 13.5921 13.5921 k = 0.5000-0.2062 0.4666 ( 4016 PWs) bands (ev): -65.8841 -65.8841 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0196 7.0196 7.9292 7.9292 9.3472 9.3472 9.5861 9.5861 10.8867 10.8867 10.9504 10.9504 11.1966 11.1966 11.2429 11.2429 11.5112 11.5112 12.1400 12.1400 12.2933 12.2933 12.4717 12.4717 12.6738 12.6738 13.1471 13.1471 13.4384 13.4384 13.5040 13.5040 13.5854 13.5854 k = 0.5000-0.1959 0.4739 ( 4016 PWs) bands (ev): -65.8841 -65.8841 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0275 7.0275 7.9478 7.9478 9.3259 9.3259 9.5834 9.5834 10.8820 10.8820 10.9562 10.9562 11.1822 11.1822 11.2257 11.2257 11.5058 11.5058 12.0977 12.0977 12.2933 12.2933 12.5136 12.5136 12.6532 12.6532 13.1490 13.1490 13.4658 13.4658 13.4998 13.4998 13.5789 13.5789 k = 0.5000-0.1856 0.4811 ( 4022 PWs) bands (ev): -65.8848 -65.8848 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0360 7.0360 7.9684 7.9684 9.3018 9.3018 9.5802 9.5802 10.8774 10.8774 10.9624 10.9624 11.1327 11.1327 11.2432 11.2432 11.4985 11.4985 12.0554 12.0554 12.2906 12.2906 12.5547 12.5547 12.6318 12.6318 13.1499 13.1499 13.4842 13.4842 13.4986 13.4986 13.5729 13.5729 k = 0.5000-0.1753 0.4884 ( 4018 PWs) bands (ev): -65.8843 -65.8843 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0452 7.0452 7.9910 7.9910 9.2761 9.2761 9.5768 9.5768 10.8750 10.8750 10.9701 10.9701 11.0833 11.0833 11.2640 11.2640 11.4891 11.4891 12.0144 12.0144 12.2870 12.2870 12.5950 12.5950 12.6153 12.6153 13.1527 13.1527 13.4836 13.4836 13.5124 13.5124 13.5749 13.5749 k = 0.5000-0.1650 0.4957 ( 4024 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4273 -34.4273 -34.4263 -34.4263 7.0547 7.0547 8.0156 8.0156 9.2468 9.2468 9.5729 9.5729 10.8724 10.8724 10.9762 10.9762 11.0347 11.0347 11.2852 11.2852 11.4769 11.4769 11.9750 11.9750 12.2823 12.2823 12.5836 12.5836 12.6499 12.6499 13.1523 13.1523 13.4759 13.4759 13.5162 13.5162 13.5861 13.5861 k = 0.5000-0.1546 0.5030 ( 4020 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4273 -34.4273 -34.4263 -34.4263 7.0647 7.0647 8.0421 8.0421 9.2170 9.2170 9.5688 9.5688 10.8716 10.8716 10.9813 10.9813 10.9915 10.9915 11.3072 11.3072 11.4620 11.4620 11.9385 11.9385 12.2772 12.2772 12.5612 12.5612 12.6977 12.6977 13.1560 13.1560 13.4700 13.4700 13.5118 13.5118 13.6060 13.6060 k = 0.5000-0.1443 0.5103 ( 4020 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0749 7.0749 8.0704 8.0704 9.1852 9.1852 9.5642 9.5642 10.8720 10.8720 10.9435 10.9435 10.9920 10.9920 11.3293 11.3293 11.4441 11.4441 11.9049 11.9049 12.2716 12.2716 12.5384 12.5384 12.7425 12.7425 13.1599 13.1599 13.4610 13.4610 13.5027 13.5027 13.6284 13.6284 k = 0.5000-0.1340 0.5176 ( 4020 PWs) bands (ev): -65.8845 -65.8845 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0853 7.0853 8.1005 8.1005 9.1516 9.1516 9.5594 9.5594 10.8731 10.8731 10.9016 10.9016 10.9995 10.9995 11.3513 11.3513 11.4233 11.4233 11.8747 11.8747 12.2657 12.2657 12.5159 12.5159 12.7864 12.7864 13.1644 13.1644 13.4509 13.4509 13.4918 13.4918 13.6509 13.6509 k = 0.5000-0.1237 0.5249 ( 4024 PWs) bands (ev): -65.8850 -65.8850 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0954 7.0954 8.1322 8.1322 9.1163 9.1163 9.5543 9.5543 10.8590 10.8590 10.8783 10.8783 11.0056 11.0056 11.3713 11.3713 11.4012 11.4012 11.8477 11.8477 12.2599 12.2599 12.4938 12.4938 12.8303 12.8303 13.1693 13.1693 13.4383 13.4383 13.4778 13.4778 13.6725 13.6725 k = 0.5000-0.1134 0.5322 ( 4030 PWs) bands (ev): -65.8857 -65.8857 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1054 7.1054 8.1655 8.1655 9.0789 9.0789 9.5489 9.5489 10.8228 10.8228 10.8806 10.8806 11.0127 11.0127 11.3677 11.3677 11.4000 11.4000 11.8236 11.8236 12.2541 12.2541 12.4726 12.4726 12.8703 12.8703 13.1735 13.1735 13.4242 13.4242 13.4632 13.4632 13.6928 13.6928 k = 0.5000-0.1031 0.5395 ( 4022 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1156 7.1156 8.2005 8.2005 9.0416 9.0416 9.5437 9.5437 10.7874 10.7874 10.8878 10.8878 11.0221 11.0221 11.3412 11.3412 11.4208 11.4208 11.8027 11.8027 12.2485 12.2485 12.4525 12.4525 12.9112 12.9112 13.1831 13.1831 13.4128 13.4128 13.4521 13.4521 13.7121 13.7121 k = 0.5000-0.0928 0.5468 ( 4022 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1252 7.1252 8.2369 8.2369 9.0021 9.0021 9.5383 9.5383 10.7557 10.7557 10.8956 10.8956 11.0294 11.0294 11.3114 11.3114 11.4425 11.4425 11.7836 11.7836 12.2432 12.2432 12.4335 12.4335 12.9494 12.9494 13.1905 13.1905 13.3989 13.3989 13.4385 13.4385 13.7297 13.7297 k = 0.5000-0.0825 0.5541 ( 4024 PWs) bands (ev): -65.8849 -65.8849 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1341 7.1341 8.2745 8.2745 8.9607 8.9607 9.5329 9.5329 10.7280 10.7280 10.9049 10.9049 11.0361 11.0361 11.2800 11.2800 11.4641 11.4641 11.7658 11.7658 12.2382 12.2382 12.4159 12.4159 12.9870 12.9870 13.1962 13.1962 13.3841 13.3841 13.4244 13.4244 13.7457 13.7457 k = 0.5000-0.0722 0.5613 ( 4028 PWs) bands (ev): -65.8854 -65.8854 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1424 7.1424 8.3134 8.3134 8.9186 8.9186 9.5279 9.5279 10.7018 10.7018 10.9158 10.9158 11.0429 11.0429 11.2482 11.2482 11.4853 11.4853 11.7493 11.7493 12.2337 12.2337 12.3999 12.3999 13.0216 13.0216 13.2029 13.2029 13.3673 13.3673 13.4082 13.4082 13.7603 13.7603 k = 0.5000-0.0619 0.5686 ( 4026 PWs) bands (ev): -65.8852 -65.8852 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1500 7.1500 8.3537 8.3537 8.8762 8.8762 9.5231 9.5231 10.6788 10.6788 10.9298 10.9298 11.0490 11.0490 11.2169 11.2169 11.5065 11.5065 11.7339 11.7339 12.2296 12.2296 12.3856 12.3856 13.0545 13.0545 13.2130 13.2130 13.3523 13.3523 13.3939 13.3939 13.7737 13.7737 k = 0.5000-0.0515 0.5759 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1566 7.1566 8.3950 8.3950 8.8334 8.8334 9.5189 9.5189 10.6617 10.6617 10.9455 10.9455 11.0543 11.0543 11.1867 11.1867 11.5271 11.5271 11.7192 11.7192 12.2261 12.2261 12.3733 12.3733 13.0879 13.0879 13.2254 13.2254 13.3390 13.3390 13.3816 13.3816 13.7859 13.7859 k = 0.5000-0.0412 0.5832 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1620 7.1620 8.4370 8.4370 8.7894 8.7894 9.5151 9.5151 10.6477 10.6477 10.9614 10.9614 11.0582 11.0582 11.1567 11.1567 11.5462 11.5462 11.7046 11.7046 12.2232 12.2232 12.3630 12.3630 13.1164 13.1164 13.2351 13.2351 13.3237 13.3237 13.3672 13.3672 13.7966 13.7966 k = 0.5000-0.0309 0.5905 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1665 7.1665 8.4796 8.4796 8.7450 8.7450 9.5122 9.5122 10.6354 10.6354 10.9788 10.9788 11.0630 11.0630 11.1283 11.1283 11.5639 11.5639 11.6905 11.6905 12.2209 12.2209 12.3548 12.3548 13.1436 13.1436 13.2455 13.2455 13.3064 13.3064 13.3512 13.3512 13.8060 13.8060 k = 0.5000-0.0206 0.5978 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1699 7.1699 8.5230 8.5230 8.7008 8.7008 9.5101 9.5101 10.6274 10.6274 10.9982 10.9982 11.0659 11.0659 11.1032 11.1032 11.5797 11.5797 11.6778 11.6778 12.2192 12.2192 12.3489 12.3489 13.1682 13.1682 13.2571 13.2571 13.2924 13.2924 13.3388 13.3388 13.8143 13.8143 k = 0.5000-0.0103 0.6051 ( 4000 PWs) bands (ev): -65.8820 -65.8820 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1720 7.1720 8.5672 8.5672 8.6571 8.6571 9.5088 9.5088 10.6230 10.6230 11.0197 11.0197 11.0622 11.0622 11.0860 11.0860 11.5923 11.5923 11.6682 11.6682 12.2182 12.2182 12.3453 12.3453 13.1877 13.1877 13.2701 13.2701 13.2832 13.2832 13.3322 13.3322 13.8214 13.8214 k = 0.5000-0.0000 0.6124 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1726 7.1726 8.6052 8.6052 8.6189 8.6189 9.5083 9.5083 10.6234 10.6234 11.0335 11.0335 11.0524 11.0524 11.0811 11.0811 11.5971 11.5971 11.6640 11.6640 12.2179 12.2179 12.3441 12.3441 13.1945 13.1945 13.2755 13.2755 13.2795 13.2795 13.3301 13.3301 13.8248 13.8249 k = 0.5000-0.0000 0.6124 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1726 7.1726 8.6052 8.6052 8.6189 8.6189 9.5083 9.5083 10.6234 10.6234 11.0335 11.0335 11.0524 11.0524 11.0811 11.0811 11.5971 11.5971 11.6640 11.6640 12.2179 12.2179 12.3441 12.3441 13.1945 13.1945 13.2755 13.2755 13.2795 13.2795 13.3301 13.3301 13.8248 13.8249 k = 0.4938 0.0108 0.6124 ( 3998 PWs) bands (ev): -65.8817 -65.8817 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1714 7.1714 8.5808 8.5808 8.6420 8.6420 9.5108 9.5108 10.6227 10.6227 11.0225 11.0225 11.0596 11.0596 11.0852 11.0852 11.5950 11.5950 11.6665 11.6665 12.2167 12.2167 12.3442 12.3442 13.1889 13.1889 13.2681 13.2681 13.2864 13.2864 13.3342 13.3342 13.8248 13.8248 k = 0.4875 0.0217 0.6124 ( 4013 PWs) bands (ev): -65.8836 -65.8836 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1679 7.1679 8.5518 8.5518 8.6666 8.6666 9.5177 9.5177 10.6184 10.6184 11.0013 11.0013 11.0697 11.0697 11.0947 11.0947 11.5892 11.5892 11.6735 11.6735 12.2131 12.2131 12.3442 12.3442 13.1701 13.1701 13.2518 13.2518 13.2969 13.2969 13.3431 13.3431 13.8250 13.8250 k = 0.4813 0.0325 0.6124 ( 4015 PWs) bands (ev): -65.8838 -65.8838 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1629 7.1629 8.5240 8.5240 8.6875 8.6875 9.5296 9.5296 10.6161 10.6161 10.9798 10.9798 11.0782 11.0782 11.1123 11.1123 11.5813 11.5813 11.6841 11.6841 12.2072 12.2072 12.3441 12.3441 13.1513 13.1513 13.2373 13.2373 13.3114 13.3114 13.3603 13.3603 13.8213 13.8213 k = 0.4750 0.0433 0.6124 ( 4013 PWs) bands (ev): -65.8836 -65.8836 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1567 7.1567 8.4978 8.4978 8.7039 8.7039 9.5457 9.5457 10.6139 10.6139 10.9586 10.9586 11.0861 11.0861 11.1338 11.1338 11.5725 11.5725 11.6967 11.6967 12.1991 12.1991 12.3438 12.3438 13.1319 13.1319 13.2217 13.2217 13.3279 13.3279 13.3814 13.3814 13.8147 13.8147 k = 0.4688 0.0541 0.6124 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1493 7.1493 8.4727 8.4727 8.7147 8.7147 9.5651 9.5651 10.6090 10.6090 10.9365 10.9365 11.0906 11.0906 11.1554 11.1554 11.5627 11.5627 11.7097 11.7097 12.1887 12.1887 12.3432 12.3432 13.1089 13.1089 13.2012 13.2012 13.3400 13.3400 13.3943 13.3943 13.8058 13.8058 k = 0.4625 0.0650 0.6124 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1416 7.1416 8.4493 8.4493 8.7228 8.7228 9.5875 9.5875 10.6053 10.6053 10.9159 10.9159 11.0979 11.0979 11.1810 11.1810 11.5530 11.5530 11.7244 11.7244 12.1764 12.1764 12.3423 12.3423 13.0872 13.0872 13.1857 13.1857 13.3570 13.3570 13.4150 13.4150 13.7968 13.7968 k = 0.4562 0.0758 0.6124 ( 4030 PWs) bands (ev): -65.8857 -65.8857 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1336 7.1336 8.4272 8.4272 8.7283 8.7283 9.6122 9.6122 10.6014 10.6014 10.8952 10.8952 11.1052 11.1052 11.2085 11.2085 11.5431 11.5431 11.7400 11.7400 12.1625 12.1625 12.3411 12.3411 13.0639 13.0639 13.1711 13.1711 13.3730 13.3730 13.4393 13.4393 13.7870 13.7870 k = 0.4500 0.0866 0.6124 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4265 -34.4265 7.1252 7.1252 8.4068 8.4068 8.7305 8.7305 9.6376 9.6376 10.5966 10.5966 10.8753 10.8753 11.1114 11.1114 11.2362 11.2362 11.5334 11.5334 11.7556 11.7556 12.1469 12.1469 12.3396 12.3396 13.0368 13.0368 13.1563 13.1563 13.3897 13.3897 13.4596 13.4596 13.7762 13.7762 k = 0.4437 0.0974 0.6124 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1171 7.1171 8.3880 8.3880 8.7306 8.7306 9.6632 9.6632 10.5926 10.5926 10.8572 10.8572 11.1190 11.1190 11.2645 11.2645 11.5241 11.5241 11.7710 11.7710 12.1301 12.1301 12.3379 12.3379 13.0146 13.0146 13.1448 13.1448 13.4077 13.4077 13.4775 13.4775 13.7655 13.7655 k = 0.4375 0.1083 0.6124 ( 4029 PWs) bands (ev): -65.8856 -65.8856 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1094 7.1094 8.3708 8.3708 8.7292 8.7292 9.6888 9.6888 10.5894 10.5894 10.8423 10.8423 11.1270 11.1270 11.2933 11.2933 11.5155 11.5155 11.7863 11.7863 12.1123 12.1123 12.3361 12.3361 12.9958 12.9958 13.1346 13.1346 13.4270 13.4270 13.4959 13.4959 13.7568 13.7568 k = 0.4313 0.1191 0.6124 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1021 7.1021 8.3551 8.3551 8.7268 8.7268 9.7131 9.7131 10.5856 10.5856 10.8281 10.8281 11.1341 11.1341 11.3217 11.3217 11.5073 11.5073 11.8012 11.8012 12.0939 12.0939 12.3341 12.3341 12.9754 12.9754 13.1252 13.1252 13.4467 13.4467 13.5142 13.5142 13.7467 13.7467 k = 0.4250 0.1299 0.6124 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0949 7.0949 8.3411 8.3411 8.7237 8.7237 9.7361 9.7361 10.5820 10.5820 10.8145 10.8145 11.1404 11.1404 11.3492 11.3492 11.4995 11.4995 11.8156 11.8156 12.0750 12.0750 12.3321 12.3321 12.9559 12.9559 13.1133 13.1133 13.4655 13.4655 13.5307 13.5307 13.7353 13.7353 k = 0.4188 0.1407 0.6124 ( 4023 PWs) bands (ev): -65.8849 -65.8849 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0886 7.0886 8.3286 8.3286 8.7203 8.7203 9.7569 9.7569 10.5790 10.5790 10.8021 10.8021 11.1468 11.1468 11.3759 11.3759 11.4923 11.4923 11.8290 11.8290 12.0562 12.0562 12.3302 12.3302 12.9397 12.9397 13.1054 13.1054 13.4836 13.4836 13.5451 13.5451 13.7233 13.7233 k = 0.4125 0.1516 0.6124 ( 4022 PWs) bands (ev): -65.8848 -65.8848 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0829 7.0829 8.3178 8.3178 8.7169 8.7169 9.7757 9.7757 10.5760 10.5760 10.7912 10.7912 11.1526 11.1526 11.4010 11.4010 11.4858 11.4858 11.8414 11.8414 12.0380 12.0380 12.3284 12.3284 12.9228 12.9228 13.0982 13.0982 13.5011 13.5011 13.5588 13.5588 13.7112 13.7112 k = 0.4062 0.1624 0.6124 ( 4019 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0781 7.0781 8.3086 8.3086 8.7137 8.7137 9.7918 9.7918 10.5731 10.5731 10.7830 10.7830 11.1586 11.1586 11.4239 11.4239 11.4803 11.4803 11.8524 11.8524 12.0207 12.0207 12.3267 12.3267 12.9086 12.9086 13.0931 13.0931 13.5172 13.5172 13.5707 13.5707 13.7003 13.7003 k = 0.4000 0.1732 0.6124 ( 4032 PWs) bands (ev): -65.8860 -65.8860 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0737 7.0737 8.3010 8.3010 8.7102 8.7102 9.8046 9.8046 10.5699 10.5699 10.7736 10.7736 11.1608 11.1608 11.4427 11.4427 11.4757 11.4757 11.8618 11.8618 12.0046 12.0046 12.3251 12.3251 12.8934 12.8934 13.0839 13.0839 13.5295 13.5295 13.5791 13.5791 13.6848 13.6848 k = 0.3937 0.1840 0.6124 ( 4032 PWs) bands (ev): -65.8860 -65.8860 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0704 7.0704 8.2951 8.2951 8.7078 8.7078 9.8152 9.8152 10.5681 10.5681 10.7677 10.7677 11.1643 11.1643 11.4574 11.4574 11.4739 11.4739 11.8697 11.8697 11.9911 11.9911 12.3239 12.3239 12.8833 12.8833 13.0800 13.0800 13.5418 13.5418 13.5903 13.5903 13.6716 13.6716 k = 0.3875 0.1949 0.6124 ( 4028 PWs) bands (ev): -65.8855 -65.8855 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0680 7.0680 8.2909 8.2909 8.7065 8.7065 9.8239 9.8239 10.5665 10.5665 10.7643 10.7643 11.1670 11.1670 11.4631 11.4631 11.4783 11.4783 11.8757 11.8757 11.9813 11.9813 12.3231 12.3231 12.8746 12.8746 13.0769 13.0769 13.5534 13.5534 13.6039 13.6039 13.6597 13.6597 k = 0.3812 0.2057 0.6124 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0665 7.0665 8.2884 8.2884 8.7051 8.7051 9.8275 9.8275 10.5645 10.5645 10.7606 10.7606 11.1684 11.1684 11.4629 11.4629 11.4841 11.4841 11.8793 11.8793 11.9741 11.9741 12.3225 12.3225 12.8672 12.8672 13.0746 13.0746 13.5565 13.5565 13.6131 13.6131 13.6456 13.6456 k = 0.3750 0.2165 0.6124 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.3750 0.2165 0.6124 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.3685 0.2128 0.6018 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0544 7.0544 8.3319 8.3319 8.6501 8.6501 9.8545 9.8545 10.5132 10.5132 10.7547 10.7547 11.1869 11.1869 11.4731 11.4731 11.4935 11.4935 11.8473 11.8473 11.9664 11.9664 12.2931 12.2931 12.8963 12.8963 13.0654 13.0654 13.5657 13.5657 13.6244 13.6244 13.6422 13.6422 k = 0.3621 0.2090 0.5913 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0371 7.0371 8.3784 8.3784 8.6000 8.6000 9.8797 9.8797 10.4628 10.4628 10.7499 10.7499 11.2057 11.2057 11.4672 11.4672 11.5181 11.5181 11.8136 11.8136 11.9623 11.9623 12.2657 12.2657 12.9237 12.9237 13.0601 13.0601 13.5661 13.5661 13.6328 13.6328 13.6487 13.6487 k = 0.3556 0.2053 0.5807 ( 4021 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 7.0132 7.0132 8.4266 8.4266 8.5551 8.5551 9.9056 9.9056 10.4146 10.4146 10.7454 10.7454 11.2203 11.2203 11.4600 11.4600 11.5442 11.5442 11.7797 11.7797 11.9586 11.9586 12.2403 12.2403 12.9529 12.9529 13.0525 13.0525 13.5606 13.5606 13.6383 13.6383 13.6663 13.6663 k = 0.3491 0.2016 0.5701 ( 4007 PWs) bands (ev): -65.8829 -65.8829 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.9825 6.9825 8.4765 8.4765 8.5174 8.5174 9.9316 9.9316 10.3680 10.3680 10.7417 10.7417 11.2349 11.2349 11.4560 11.4560 11.5705 11.5705 11.7457 11.7457 11.9560 11.9560 12.2177 12.2177 12.9817 12.9817 13.0536 13.0536 13.5533 13.5533 13.6408 13.6408 13.6916 13.6916 k = 0.3427 0.1978 0.5596 ( 4017 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9436 6.9436 8.4840 8.4840 8.5296 8.5296 9.9572 9.9572 10.3206 10.3206 10.7383 10.7383 11.2421 11.2421 11.4487 11.4487 11.5964 11.5964 11.7122 11.7122 11.9513 11.9513 12.1980 12.1980 13.0035 13.0035 13.0421 13.0421 13.5408 13.5408 13.6420 13.6420 13.7210 13.7210 k = 0.3362 0.1941 0.5490 ( 4017 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.8972 6.8972 8.4605 8.4605 8.5829 8.5829 9.9828 9.9828 10.2752 10.2752 10.7357 10.7357 11.2484 11.2484 11.4441 11.4441 11.6198 11.6198 11.6812 11.6812 11.9468 11.9468 12.1819 12.1819 13.0259 13.0259 13.0375 13.0375 13.5286 13.5286 13.6431 13.6431 13.7548 13.7548 k = 0.3297 0.1904 0.5385 ( 4017 PWs) bands (ev): -65.8842 -65.8842 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8431 6.8431 8.4444 8.4444 8.6383 8.6383 10.0081 10.0081 10.2313 10.2313 10.7337 10.7337 11.2510 11.2510 11.4407 11.4407 11.6247 11.6247 11.6689 11.6689 11.9416 11.9416 12.1697 12.1697 13.0335 13.0335 13.0480 13.0480 13.5157 13.5157 13.6441 13.6441 13.7925 13.7925 k = 0.3233 0.1866 0.5279 ( 4017 PWs) bands (ev): -65.8842 -65.8842 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.7817 6.7817 8.4359 8.4359 8.6954 8.6954 10.0330 10.0330 10.1888 10.1888 10.7324 10.7324 11.2497 11.2497 11.4384 11.4384 11.5982 11.5982 11.6881 11.6881 11.9356 11.9356 12.1616 12.1616 13.0317 13.0317 13.0686 13.0686 13.5021 13.5021 13.6448 13.6448 13.8339 13.8339 k = 0.3168 0.1829 0.5173 ( 4017 PWs) bands (ev): -65.8842 -65.8842 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.7137 6.7137 8.4345 8.4345 8.7540 8.7540 10.0571 10.0571 10.1478 10.1478 10.7318 10.7318 11.2442 11.2442 11.4371 11.4371 11.5651 11.5651 11.7139 11.7139 11.9289 11.9289 12.1576 12.1576 13.0312 13.0312 13.0883 13.0883 13.4881 13.4881 13.6454 13.6454 13.8791 13.8791 k = 0.3103 0.1792 0.5068 ( 4013 PWs) bands (ev): -65.8837 -65.8837 -35.6340 -35.6340 -34.4270 -34.4270 -34.4263 -34.4263 6.6396 6.6396 8.4401 8.4401 8.8145 8.8145 10.0804 10.0804 10.1096 10.1096 10.7332 10.7332 11.2356 11.2356 11.4349 11.4349 11.5310 11.5310 11.7411 11.7411 11.9214 11.9214 12.1578 12.1578 13.0299 13.0299 13.1096 13.1096 13.4747 13.4747 13.6479 13.6479 13.9295 13.9295 k = 0.3039 0.1754 0.4962 ( 4021 PWs) bands (ev): -65.8846 -65.8846 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.5605 6.5605 8.4512 8.4512 8.8757 8.8757 10.0683 10.0683 10.1045 10.1045 10.7337 10.7337 11.2199 11.2199 11.4339 11.4339 11.4974 11.4974 11.7680 11.7680 11.9142 11.9142 12.1618 12.1618 13.0312 13.0312 13.1238 13.1238 13.4588 13.4588 13.6477 13.6478 13.9807 13.9807 k = 0.2974 0.1717 0.4857 ( 4017 PWs) bands (ev): -65.8841 -65.8841 -35.6340 -35.6340 -34.4270 -34.4270 -34.4263 -34.4263 6.4772 6.4772 8.4679 8.4679 8.9388 8.9388 10.0327 10.0327 10.1256 10.1256 10.7352 10.7352 11.2030 11.2030 11.4302 11.4302 11.4677 11.4677 11.7942 11.7942 11.9085 11.9085 12.1693 12.1693 13.0364 13.0364 13.1422 13.1422 13.4449 13.4449 13.6479 13.6479 14.0373 14.0373 k = 0.2909 0.1680 0.4751 ( 4017 PWs) bands (ev): -65.8841 -65.8841 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.3904 6.3904 8.4893 8.4893 9.0030 9.0030 9.9976 9.9976 10.1459 10.1459 10.7371 10.7371 11.1818 11.1818 11.4117 11.4117 11.4523 11.4523 11.8184 11.8184 11.9049 11.9049 12.1800 12.1800 13.0415 13.0415 13.1585 13.1585 13.4304 13.4304 13.6476 13.6476 14.0975 14.0975 k = 0.2845 0.1642 0.4646 ( 4009 PWs) bands (ev): -65.8831 -65.8831 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.3008 6.3008 8.5154 8.5154 9.0687 9.0687 9.9643 9.9643 10.1652 10.1652 10.7402 10.7402 11.1588 11.1588 11.3805 11.3805 11.4505 11.4505 11.8379 11.8379 11.9073 11.9073 12.1932 12.1932 13.0531 13.0531 13.1748 13.1748 13.4174 13.4174 13.6475 13.6475 14.1626 14.1626 k = 0.2780 0.1605 0.4540 ( 3999 PWs) bands (ev): -65.8819 -65.8819 -35.6339 -35.6339 -34.4269 -34.4269 -34.4262 -34.4262 6.2091 6.2091 8.5447 8.5447 9.1358 9.1358 9.9337 9.9337 10.1832 10.1832 10.7447 10.7447 11.1340 11.1340 11.3461 11.3461 11.4504 11.4504 11.8494 11.8494 11.9189 11.9189 12.2086 12.2086 13.0614 13.0614 13.1933 13.1933 13.4051 13.4051 13.6486 13.6486 14.2313 14.2313 k = 0.2716 0.1568 0.4434 ( 3991 PWs) bands (ev): -65.8809 -65.8809 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 6.1160 6.1160 8.5769 8.5769 9.2037 9.2037 9.9042 9.9042 10.1995 10.1995 10.7486 10.7486 11.1065 11.1065 11.3107 11.3107 11.4511 11.4511 11.8544 11.8544 11.9393 11.9393 12.2254 12.2254 13.0710 13.0710 13.2108 13.2108 13.3931 13.3931 13.6475 13.6475 14.3034 14.3034 k = 0.2651 0.1530 0.4329 ( 4003 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 6.0216 6.0216 8.6114 8.6114 9.2710 9.2710 9.8730 9.8730 10.2139 10.2139 10.7525 10.7525 11.0737 11.0737 11.2750 11.2750 11.4485 11.4485 11.8569 11.8569 11.9642 11.9642 12.2433 12.2433 13.0774 13.0774 13.2179 13.2179 13.3786 13.3786 13.6451 13.6451 14.3778 14.3778 k = 0.2586 0.1493 0.4223 ( 4003 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 5.9269 5.9269 8.6482 8.6482 9.3397 9.3397 9.8454 9.8454 10.2266 10.2266 10.7575 10.7575 11.0417 11.0417 11.2391 11.2391 11.4453 11.4453 11.8610 11.8610 11.9913 11.9913 12.2617 12.2617 13.0867 13.0867 13.2301 13.2301 13.3667 13.3667 13.6433 13.6433 14.4564 14.4564 k = 0.2522 0.1456 0.4118 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 5.8318 5.8318 8.6863 8.6863 9.4082 9.4082 9.8184 9.8184 10.2361 10.2361 10.7627 10.7627 11.0070 11.0070 11.2030 11.2030 11.4381 11.4381 11.8672 11.8672 12.0195 12.0195 12.2802 12.2802 13.0919 13.0919 13.2389 13.2389 13.3545 13.3545 13.6407 13.6407 14.5357 14.5357 k = 0.2457 0.1418 0.4012 ( 4013 PWs) bands (ev): -65.8836 -65.8836 -35.6339 -35.6339 -34.4269 -34.4269 -34.4261 -34.4261 5.7371 5.7371 8.7266 8.7266 9.4779 9.4779 9.7939 9.7939 10.2453 10.2453 10.7689 10.7689 10.9741 10.9741 11.1670 11.1670 11.4312 11.4312 11.8775 11.8775 12.0482 12.0482 12.2985 12.2985 13.1020 13.1020 13.2493 13.2493 13.3454 13.3454 13.6382 13.6382 14.6216 14.6216 k = 0.2392 0.1381 0.3907 ( 4005 PWs) bands (ev): -65.8827 -65.8827 -35.6339 -35.6339 -34.4268 -34.4268 -34.4261 -34.4261 5.6429 5.6429 8.7682 8.7682 9.5479 9.5479 9.7727 9.7727 10.2528 10.2528 10.7761 10.7761 10.9416 10.9416 11.1310 11.1310 11.4218 11.4218 11.8915 11.8915 12.0772 12.0772 12.3163 12.3163 13.1135 13.1135 13.2625 13.2625 13.3386 13.3386 13.6360 13.6360 14.7107 14.7107 k = 0.2328 0.1344 0.3801 ( 4005 PWs) bands (ev): -65.8827 -65.8827 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.5494 5.5494 8.8107 8.8107 9.6171 9.6171 9.7514 9.7514 10.2580 10.2580 10.7832 10.7832 10.9081 10.9081 11.0949 11.0949 11.4101 11.4101 11.9092 11.9092 12.1064 12.1064 12.3333 12.3333 13.1240 13.1240 13.2703 13.2703 13.3326 13.3326 13.6328 13.6328 14.8025 14.8025 k = 0.2263 0.1307 0.3695 ( 4009 PWs) bands (ev): -65.8832 -65.8832 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.4569 5.4569 8.8540 8.8540 9.6844 9.6844 9.7325 9.7325 10.2613 10.2613 10.7910 10.7910 10.8747 10.8747 11.0588 11.0588 11.3945 11.3945 11.9301 11.9301 12.1356 12.1356 12.3493 12.3493 13.1329 13.1329 13.2757 13.2757 13.3285 13.3285 13.6297 13.6297 14.8962 14.8962 k = 0.2198 0.1269 0.3590 ( 4009 PWs) bands (ev): -65.8832 -65.8832 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.3656 5.3656 8.8979 8.8979 9.7090 9.7090 9.7570 9.7570 10.2627 10.2627 10.7973 10.7973 10.8429 10.8429 11.0228 11.0228 11.3828 11.3828 11.9545 11.9545 12.1648 12.1648 12.3644 12.3644 13.1453 13.1453 13.2786 13.2786 13.3265 13.3265 13.6251 13.6251 14.9944 14.9944 k = 0.2134 0.1232 0.3484 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.2756 5.2756 8.9421 8.9421 9.6937 9.6937 9.8224 9.8224 10.2623 10.2623 10.7972 10.7972 10.8191 10.8191 10.9869 10.9869 11.3621 11.3621 11.9816 11.9816 12.1939 12.1939 12.3783 12.3783 13.1534 13.1534 13.2810 13.2810 13.3279 13.3279 13.6206 13.6206 15.0926 15.0926 k = 0.2069 0.1195 0.3379 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6338 -35.6338 -34.4268 -34.4268 -34.4260 -34.4260 5.1873 5.1873 8.9866 8.9866 9.6785 9.6785 9.8878 9.8878 10.2600 10.2600 10.7742 10.7742 10.8207 10.8207 10.9510 10.9510 11.3461 11.3461 12.0114 12.0114 12.2229 12.2229 12.3912 12.3912 13.1641 13.1641 13.2821 13.2821 13.3313 13.3313 13.6157 13.6157 15.1951 15.1951 k = 0.2004 0.1157 0.3273 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6338 -35.6338 -34.4267 -34.4267 -34.4259 -34.4259 5.1007 5.1007 9.0314 9.0314 9.6658 9.6658 9.9520 9.9520 10.2562 10.2562 10.7479 10.7479 10.8330 10.8330 10.9153 10.9153 11.3308 11.3308 12.0434 12.0434 12.2519 12.2519 12.4032 12.4032 13.1780 13.1780 13.2842 13.2842 13.3390 13.3390 13.6139 13.6139 15.3001 15.3001 k = 0.1940 0.1120 0.3167 ( 4007 PWs) bands (ev): -65.8830 -65.8830 -35.6337 -35.6337 -34.4267 -34.4267 -34.4259 -34.4259 5.0159 5.0159 9.0756 9.0756 9.6523 9.6523 10.0128 10.0128 10.2501 10.2501 10.7220 10.7220 10.8423 10.8423 10.8797 10.8797 11.3146 11.3146 12.0772 12.0772 12.2806 12.2806 12.4143 12.4143 13.1874 13.1874 13.2842 13.2842 13.3413 13.3413 13.6080 13.6080 15.4064 15.4064 k = 0.1875 0.1083 0.3062 ( 4007 PWs) bands (ev): -65.8830 -65.8830 -35.6337 -35.6337 -34.4266 -34.4266 -34.4259 -34.4259 4.9331 4.9331 9.1197 9.1197 9.6413 9.6413 10.0700 10.0700 10.2430 10.2430 10.6990 10.6990 10.8427 10.8427 10.8539 10.8539 11.2987 11.2987 12.1126 12.1126 12.3090 12.3090 12.4249 12.4249 13.1979 13.1979 13.2854 13.2854 13.3465 13.3465 13.6016 13.6016 15.5152 15.5152 k = 0.1810 0.1045 0.2956 ( 4011 PWs) bands (ev): -65.8835 -65.8835 -35.6337 -35.6337 -34.4266 -34.4266 -34.4259 -34.4259 4.8523 4.8523 9.1632 9.1632 9.6316 9.6316 10.1223 10.1223 10.2344 10.2344 10.6801 10.6801 10.8081 10.8081 10.8611 10.8611 11.2829 11.2829 12.1493 12.1493 12.3371 12.3371 12.4353 12.4353 13.2063 13.2063 13.2870 13.2870 13.3517 13.3517 13.5930 13.5930 15.6251 15.6251 k = 0.1746 0.1008 0.2851 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6337 -35.6337 -34.4265 -34.4265 -34.4259 -34.4259 4.7738 4.7738 9.2064 9.2064 9.6240 9.6240 10.1682 10.1682 10.2246 10.2246 10.6670 10.6670 10.7729 10.7729 10.8710 10.8710 11.2741 11.2741 12.1872 12.1872 12.3649 12.3649 12.4457 12.4457 13.2211 13.2211 13.2897 13.2897 13.3591 13.3591 13.5851 13.5851 15.7305 15.7305 k = 0.1681 0.0971 0.2745 ( 4007 PWs) bands (ev): -65.8830 -65.8830 -35.6337 -35.6337 -34.4265 -34.4265 -34.4259 -34.4259 4.6975 4.6975 9.2489 9.2489 9.6161 9.6161 10.2040 10.2040 10.2155 10.2155 10.6605 10.6605 10.7377 10.7377 10.8817 10.8817 11.2598 11.2598 12.2256 12.2256 12.3920 12.3920 12.4566 12.4566 13.2300 13.2300 13.2921 13.2921 13.3604 13.3604 13.5773 13.5773 15.8341 15.8341 k = 0.1616 0.0933 0.2640 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6336 -35.6336 -34.4264 -34.4264 -34.4259 -34.4259 4.6235 4.6235 9.2906 9.2906 9.6109 9.6109 10.2002 10.2002 10.2356 10.2356 10.6629 10.6629 10.7029 10.7029 10.8928 10.8928 11.2495 11.2495 12.2645 12.2645 12.4184 12.4184 12.4686 12.4686 13.2416 13.2416 13.2954 13.2954 13.3654 13.3654 13.5691 13.5691 15.9413 15.9413 k = 0.1552 0.0896 0.2534 ( 3997 PWs) bands (ev): -65.8818 -65.8818 -35.6336 -35.6336 -34.4264 -34.4264 -34.4258 -34.4258 4.5519 4.5519 9.3317 9.3317 9.6074 9.6074 10.1885 10.1885 10.2533 10.2533 10.6668 10.6668 10.6767 10.6767 10.9053 10.9053 11.2364 11.2364 12.3037 12.3037 12.4434 12.4434 12.4826 12.4826 13.2531 13.2531 13.2994 13.2994 13.3714 13.3714 13.5612 13.5612 16.0526 16.0526 k = 0.1487 0.0859 0.2428 ( 4001 PWs) bands (ev): -65.8823 -65.8823 -35.6336 -35.6336 -34.4264 -34.4264 -34.4258 -34.4258 4.4828 4.4828 9.3714 9.3714 9.6038 9.6038 10.1749 10.1749 10.2612 10.2612 10.6330 10.6330 10.6950 10.6950 10.9165 10.9165 11.2240 11.2240 12.3425 12.3425 12.4663 12.4663 12.4996 12.4996 13.2614 13.2614 13.3029 13.3029 13.3717 13.3717 13.5520 13.5520 16.1654 16.1654 k = 0.1422 0.0821 0.2323 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6336 -35.6336 -34.4263 -34.4263 -34.4258 -34.4258 4.4163 4.4163 9.4099 9.4099 9.6025 9.6025 10.1610 10.1610 10.2608 10.2608 10.5988 10.5988 10.7208 10.7208 10.9279 10.9279 11.2125 11.2125 12.3807 12.3807 12.4870 12.4870 12.5202 12.5202 13.2708 13.2708 13.3068 13.3068 13.3753 13.3753 13.5424 13.5424 16.2814 16.2814 k = 0.1358 0.0784 0.2217 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6336 -35.6336 -34.4263 -34.4263 -34.4258 -34.4258 4.3524 4.3524 9.4472 9.4472 9.6025 9.6025 10.1468 10.1468 10.2544 10.2544 10.5647 10.5647 10.7509 10.7509 10.9394 10.9394 11.2017 11.2017 12.4179 12.4179 12.5067 12.5067 12.5434 12.5434 13.2801 13.2801 13.3108 13.3108 13.3787 13.3787 13.5324 13.5324 16.4003 16.4003 k = 0.1293 0.0747 0.2112 ( 4009 PWs) bands (ev): -65.8832 -65.8832 -35.6336 -35.6336 -34.4263 -34.4263 -34.4258 -34.4258 4.2910 4.2910 9.4829 9.4829 9.6024 9.6024 10.1323 10.1323 10.2437 10.2437 10.5308 10.5308 10.7803 10.7803 10.9517 10.9517 11.1896 11.1896 12.4534 12.4534 12.5272 12.5272 12.5681 12.5681 13.2869 13.2869 13.3140 13.3140 13.3772 13.3772 13.5225 13.5225 16.5191 16.5191 k = 0.1228 0.0709 0.2006 ( 4009 PWs) bands (ev): -65.8832 -65.8832 -35.6335 -35.6335 -34.4262 -34.4262 -34.4258 -34.4258 4.2325 4.2325 9.5172 9.5172 9.6050 9.6050 10.1182 10.1182 10.2304 10.2304 10.4974 10.4974 10.8129 10.8129 10.9630 10.9630 11.1801 11.1801 12.4869 12.4869 12.5497 12.5497 12.5934 12.5934 13.2959 13.2959 13.3178 13.3178 13.3799 13.3799 13.5117 13.5117 16.6430 16.6430 k = 0.1164 0.0672 0.1900 ( 4009 PWs) bands (ev): -65.8831 -65.8831 -35.6335 -35.6335 -34.4262 -34.4262 -34.4258 -34.4258 4.1767 4.1767 9.5498 9.5498 9.6089 9.6089 10.1044 10.1044 10.2155 10.2155 10.4643 10.4643 10.8449 10.8449 10.9741 10.9741 11.1712 11.1712 12.5179 12.5179 12.5746 12.5746 12.6191 12.6191 13.3046 13.3046 13.3214 13.3214 13.3824 13.3824 13.5004 13.5004 16.7691 16.7691 k = 0.1099 0.0635 0.1795 ( 3997 PWs) bands (ev): -65.8817 -65.8817 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.1238 4.1238 9.5806 9.5806 9.6156 9.6156 10.0915 10.0915 10.1998 10.1998 10.4318 10.4318 10.8802 10.8802 10.9880 10.9880 11.1632 11.1632 12.5468 12.5468 12.6017 12.6017 12.6450 12.6450 13.3142 13.3142 13.3255 13.3255 13.3907 13.3907 13.4898 13.4898 16.9004 16.9004 k = 0.1034 0.0597 0.1689 ( 4003 PWs) bands (ev): -65.8824 -65.8824 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.0736 4.0736 9.6082 9.6082 9.6224 9.6224 10.0789 10.0789 10.1838 10.1838 10.3995 10.3995 10.9077 10.9077 10.9986 10.9986 11.1520 11.1520 12.5741 12.5741 12.6296 12.6296 12.6711 12.6711 13.3205 13.3205 13.3283 13.3283 13.3909 13.3909 13.4778 13.4778 17.0286 17.0286 k = 0.0970 0.0560 0.1584 ( 3987 PWs) bands (ev): -65.8804 -65.8804 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 4.0264 4.0264 9.6267 9.6267 9.6396 9.6396 10.0678 10.0678 10.1679 10.1679 10.3680 10.3680 10.9393 10.9393 11.0127 11.0127 11.1474 11.1474 12.6011 12.6011 12.6576 12.6576 12.6975 12.6975 13.3294 13.3294 13.3334 13.3334 13.3987 13.3987 13.4667 13.4667 17.1604 17.1604 k = 0.0905 0.0523 0.1478 ( 3987 PWs) bands (ev): -65.8804 -65.8804 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 3.9820 3.9820 9.6362 9.6362 9.6630 9.6630 10.0573 10.0573 10.1525 10.1525 10.3368 10.3368 10.9631 10.9631 11.0228 11.0228 11.1407 11.1407 12.6278 12.6278 12.6844 12.6844 12.7239 12.7239 13.3320 13.3320 13.3407 13.3407 13.4003 13.4003 13.4542 13.4542 17.2860 17.2860 k = 0.0841 0.0485 0.1373 ( 3989 PWs) bands (ev): -65.8806 -65.8806 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 3.9406 3.9406 9.6457 9.6457 9.6847 9.6847 10.0480 10.0480 10.1376 10.1376 10.3062 10.3062 10.9872 10.9872 11.0296 11.0296 11.1336 11.1336 12.6546 12.6546 12.7096 12.7096 12.7501 12.7501 13.3337 13.3337 13.3470 13.3470 13.4020 13.4020 13.4405 13.4405 17.4095 17.4095 k = 0.0776 0.0448 0.1267 ( 3969 PWs) bands (ev): -65.8781 -65.8781 -35.6333 -35.6333 -34.4259 -34.4259 -34.4256 -34.4256 3.9022 3.9022 9.6574 9.6574 9.7051 9.7051 10.0408 10.0408 10.1235 10.1235 10.2766 10.2766 11.0119 11.0119 11.0428 11.0428 11.1325 11.1325 12.6816 12.6816 12.7337 12.7337 12.7761 12.7761 13.3351 13.3351 13.3601 13.3601 13.4097 13.4097 13.4290 13.4290 17.5352 17.5352 k = 0.0711 0.0411 0.1161 ( 3969 PWs) bands (ev): -65.8781 -65.8781 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8667 3.8667 9.6683 9.6683 9.7220 9.7220 10.0345 10.0345 10.1103 10.1103 10.2474 10.2474 11.0277 11.0277 11.0506 11.0506 11.1303 11.1303 12.7082 12.7082 12.7560 12.7560 12.8012 12.8012 13.3352 13.3352 13.3668 13.3668 13.4087 13.4087 13.4174 13.4174 17.6591 17.6591 k = 0.0647 0.0373 0.1056 ( 3965 PWs) bands (ev): -65.8776 -65.8776 -35.6333 -35.6333 -34.4258 -34.4258 -34.4256 -34.4256 3.8343 3.8343 9.6802 9.6802 9.7367 9.7367 10.0302 10.0302 10.0980 10.0980 10.2191 10.2191 11.0437 11.0437 11.0604 11.0604 11.1255 11.1255 12.7345 12.7345 12.7768 12.7768 12.8252 12.8252 13.3349 13.3349 13.3746 13.3746 13.4011 13.4011 13.4143 13.4143 17.7827 17.7827 k = 0.0582 0.0336 0.0950 ( 3965 PWs) bands (ev): -65.8776 -65.8776 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.8049 3.8049 9.6926 9.6926 9.7486 9.7486 10.0273 10.0273 10.0868 10.0868 10.1919 10.1919 11.0550 11.0550 11.0686 11.0686 11.1213 11.1213 12.7597 12.7597 12.7960 12.7960 12.8478 12.8478 13.3340 13.3340 13.3811 13.3811 13.3893 13.3893 13.4146 13.4146 17.9063 17.9063 k = 0.0517 0.0299 0.0845 ( 3965 PWs) bands (ev): -65.8776 -65.8776 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7785 3.7785 9.7053 9.7053 9.7580 9.7580 10.0258 10.0258 10.0766 10.0766 10.1658 10.1658 11.0650 11.0650 11.0764 11.0764 11.1170 11.1170 12.7838 12.7838 12.8136 12.8136 12.8688 12.8688 13.3327 13.3327 13.3771 13.3771 13.3871 13.3871 13.4151 13.4151 18.0291 18.0291 k = 0.0453 0.0261 0.0739 ( 3969 PWs) bands (ev): -65.8780 -65.8780 -35.6333 -35.6333 -34.4257 -34.4257 -34.4257 -34.4257 3.7551 3.7551 9.7182 9.7182 9.7652 9.7652 10.0255 10.0255 10.0676 10.0676 10.1412 10.1412 11.0710 11.0710 11.0821 11.0821 11.1126 11.1126 12.8060 12.8060 12.8294 12.8294 12.8879 12.8879 13.3310 13.3310 13.3654 13.3654 13.3923 13.3923 13.4153 13.4153 18.1509 18.1510 k = 0.0388 0.0224 0.0633 ( 3965 PWs) bands (ev): -65.8775 -65.8775 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7349 3.7349 9.7319 9.7319 9.7707 9.7707 10.0259 10.0259 10.0596 10.0596 10.1185 10.1185 11.0757 11.0757 11.0879 11.0879 11.1132 11.1132 12.8261 12.8261 12.8437 12.8437 12.9055 12.9055 13.3290 13.3290 13.3547 13.3547 13.3986 13.3986 13.4194 13.4194 18.2734 18.2734 k = 0.0323 0.0187 0.0528 ( 3973 PWs) bands (ev): -65.8785 -65.8785 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7177 3.7177 9.7435 9.7435 9.7740 9.7740 10.0267 10.0267 10.0527 10.0527 10.0980 10.0980 11.0778 11.0778 11.0888 11.0888 11.1136 11.1136 12.8433 12.8433 12.8561 12.8561 12.9210 12.9210 13.3267 13.3267 13.3448 13.3448 13.4012 13.4012 13.4153 13.4153 18.3938 18.3939 k = 0.0259 0.0149 0.0422 ( 3977 PWs) bands (ev): -65.8790 -65.8790 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7037 3.7037 9.7552 9.7552 9.7766 9.7766 10.0273 10.0273 10.0465 10.0465 10.0808 10.0808 11.0794 11.0794 11.0905 11.0905 11.1125 11.1125 12.8581 12.8581 12.8661 12.8661 12.9341 12.9341 13.3247 13.3247 13.3363 13.3363 13.4047 13.4047 13.4148 13.4148 18.5102 18.5102 k = 0.0194 0.0112 0.0317 ( 3997 PWs) bands (ev): -65.8813 -65.8813 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.6926 3.6926 9.7637 9.7637 9.7772 9.7772 10.0276 10.0276 10.0403 10.0403 10.0681 10.0681 11.0790 11.0790 11.0851 11.0851 11.1075 11.1075 12.8691 12.8691 12.8735 12.8735 12.9442 12.9442 13.3227 13.3227 13.3293 13.3293 13.4038 13.4038 13.4081 13.4081 18.6201 18.6202 k = 0.0129 0.0075 0.0211 ( 4005 PWs) bands (ev): -65.8823 -65.8823 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.6848 3.6848 9.7715 9.7715 9.7779 9.7779 10.0276 10.0276 10.0340 10.0340 10.0605 10.0605 11.0785 11.0785 11.0829 11.0829 11.1060 11.1060 12.8770 12.8770 12.8792 12.8792 12.9518 12.9518 13.3212 13.3212 13.3242 13.3242 13.4049 13.4049 13.4067 13.4067 18.7214 18.7215 k = 0.0065 0.0037 0.0106 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6334 -35.6334 -34.4258 -34.4258 -34.4258 -34.4258 3.6800 3.6800 9.7764 9.7764 9.7781 9.7781 10.0274 10.0274 10.0291 10.0291 10.0570 10.0570 11.0780 11.0780 11.0784 11.0784 11.1030 11.1030 12.8816 12.8816 12.8821 12.8821 12.9562 12.9562 13.3203 13.3203 13.3210 13.3210 13.4050 13.4050 13.4053 13.4053 18.8003 18.8003 k = 0.0000 0.0000 0.0000 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6333 -35.6333 -34.4258 -34.4258 -34.4258 -34.4258 3.6785 3.6785 9.7782 9.7782 9.7782 9.7782 10.0272 10.0272 10.0272 10.0272 10.0561 10.0561 11.0784 11.0784 11.0784 11.0784 11.1032 11.1032 12.8833 12.8833 12.8833 12.8833 12.9578 12.9578 13.3200 13.3200 13.3200 13.3200 13.4054 13.4054 13.4054 13.4054 18.8257 18.8257 k = 0.0000 0.0000 0.0000 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6333 -35.6333 -34.4258 -34.4258 -34.4258 -34.4258 3.6785 3.6785 9.7782 9.7782 9.7782 9.7782 10.0272 10.0272 10.0272 10.0272 10.0561 10.0561 11.0784 11.0784 11.0784 11.0784 11.1032 11.1032 12.8833 12.8833 12.8833 12.8833 12.9578 12.9578 13.3200 13.3200 13.3200 13.3200 13.4054 13.4054 13.4054 13.4054 18.8257 18.8257 k = 0.0106 0.0061 0.0043 ( 4015 PWs) bands (ev): -65.8835 -65.8835 -35.6334 -35.6334 -34.4258 -34.4258 -34.4258 -34.4258 3.6801 3.6801 9.7771 9.7771 9.7772 9.7772 10.0272 10.0272 10.0293 10.0293 10.0571 10.0571 11.0782 11.0782 11.0782 11.0782 11.1030 11.1030 12.8815 12.8815 12.8821 12.8821 12.9561 12.9561 13.3206 13.3206 13.3208 13.3208 13.4051 13.4051 13.4052 13.4052 18.7923 18.7923 k = 0.0213 0.0123 0.0087 ( 4003 PWs) bands (ev): -65.8821 -65.8821 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.6849 3.6849 9.7746 9.7746 9.7751 9.7751 10.0263 10.0263 10.0354 10.0354 10.0607 10.0607 11.0796 11.0796 11.0829 11.0829 11.1063 11.1063 12.8773 12.8773 12.8789 12.8789 12.9518 12.9518 13.3224 13.3224 13.3231 13.3231 13.4062 13.4062 13.4065 13.4065 18.6955 18.6955 k = 0.0319 0.0184 0.0130 ( 3997 PWs) bands (ev): -65.8813 -65.8813 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.6928 3.6928 9.7699 9.7699 9.7709 9.7709 10.0232 10.0232 10.0451 10.0451 10.0679 10.0679 11.0816 11.0816 11.0830 11.0830 11.1069 11.1069 12.8687 12.8687 12.8735 12.8735 12.9439 12.9439 13.3254 13.3254 13.3269 13.3269 13.4057 13.4057 13.4062 13.4062 18.5719 18.5719 k = 0.0426 0.0246 0.0174 ( 3975 PWs) bands (ev): -65.8787 -65.8787 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7041 3.7041 9.7650 9.7650 9.7666 9.7666 10.0175 10.0175 10.0581 10.0581 10.0790 10.0790 11.0851 11.0851 11.0887 11.0887 11.1115 11.1115 12.8577 12.8577 12.8661 12.8661 12.9335 12.9335 13.3295 13.3295 13.3320 13.3320 13.4090 13.4090 13.4098 13.4098 18.4377 18.4377 k = 0.0532 0.0307 0.0217 ( 3975 PWs) bands (ev): -65.8787 -65.8787 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7183 3.7183 9.7579 9.7579 9.7602 9.7602 10.0092 10.0092 10.0739 10.0739 10.0934 10.0934 11.0835 11.0835 11.0864 11.0864 11.1091 11.1091 12.8424 12.8424 12.8557 12.8557 12.9197 12.9197 13.3343 13.3343 13.3381 13.3381 13.4069 13.4069 13.4081 13.4081 18.2922 18.2922 k = 0.0638 0.0369 0.0261 ( 3963 PWs) bands (ev): -65.8773 -65.8773 -35.6333 -35.6333 -34.4257 -34.4257 -34.4256 -34.4256 3.7358 3.7358 9.7515 9.7515 9.7545 9.7545 9.9985 9.9985 10.0921 10.0921 10.1106 10.1106 11.0845 11.0845 11.0848 11.0848 11.1084 11.1084 12.8241 12.8241 12.8438 12.8438 12.9038 12.9038 13.3399 13.3399 13.3450 13.3450 13.4096 13.4096 13.4111 13.4111 18.1409 18.1409 k = 0.0745 0.0430 0.0304 ( 3975 PWs) bands (ev): -65.8788 -65.8788 -35.6333 -35.6333 -34.4257 -34.4257 -34.4257 -34.4257 3.7563 3.7563 9.7431 9.7431 9.7466 9.7466 9.9857 9.9857 10.1122 10.1122 10.1299 10.1299 11.0749 11.0749 11.0810 11.0810 11.1024 11.1024 12.8024 12.8024 12.8295 12.8295 12.8855 12.8855 13.3455 13.3455 13.3522 13.3522 13.4034 13.4034 13.4053 13.4053 17.9829 17.9829 k = 0.0851 0.0491 0.0347 ( 3975 PWs) bands (ev): -65.8788 -65.8788 -35.6333 -35.6333 -34.4257 -34.4257 -34.4257 -34.4257 3.7799 3.7799 9.7355 9.7355 9.7397 9.7397 9.9709 9.9709 10.1340 10.1340 10.1512 10.1512 11.0691 11.0691 11.0783 11.0783 11.0987 11.0987 12.7785 12.7785 12.8138 12.8138 12.8657 12.8657 13.3512 13.3512 13.3596 13.3596 13.4011 13.4011 13.4031 13.4031 17.8245 17.8245 k = 0.0957 0.0553 0.0391 ( 3975 PWs) bands (ev): -65.8788 -65.8788 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8067 3.8067 9.7282 9.7282 9.7330 9.7330 9.9540 9.9540 10.1572 10.1572 10.1740 10.1740 11.0620 11.0620 11.0755 11.0755 11.0950 11.0950 12.7524 12.7524 12.7965 12.7965 12.8444 12.8444 13.3561 13.3561 13.3666 13.3666 13.3993 13.3993 13.4011 13.4011 17.6644 17.6644 k = 0.1064 0.0614 0.0434 ( 3975 PWs) bands (ev): -65.8788 -65.8788 -35.6333 -35.6333 -34.4258 -34.4258 -34.4257 -34.4257 3.8366 3.8366 9.7213 9.7213 9.7266 9.7266 9.9351 9.9351 10.1816 10.1816 10.1981 10.1981 11.0538 11.0538 11.0723 11.0723 11.0908 11.0908 12.7244 12.7244 12.7779 12.7779 12.8218 12.8218 13.3598 13.3598 13.3727 13.3727 13.3981 13.3981 13.3994 13.3994 17.5039 17.5039 k = 0.1170 0.0676 0.0478 ( 3981 PWs) bands (ev): -65.8796 -65.8796 -35.6333 -35.6333 -34.4259 -34.4259 -34.4257 -34.4257 3.8695 3.8695 9.7150 9.7150 9.7208 9.7208 9.9142 9.9142 10.2071 10.2071 10.2233 10.2233 11.0366 11.0366 11.0690 11.0690 11.0865 11.0865 12.6946 12.6946 12.7580 12.7580 12.7980 12.7980 13.3609 13.3609 13.3760 13.3760 13.3995 13.3995 13.4003 13.4003 17.3386 17.3386 k = 0.1277 0.0737 0.0521 ( 3984 PWs) bands (ev): -65.8800 -65.8800 -35.6334 -35.6334 -34.4259 -34.4259 -34.4257 -34.4257 3.9055 3.9055 9.7093 9.7093 9.7156 9.7156 9.8912 9.8912 10.2334 10.2334 10.2495 10.2495 11.0213 11.0213 11.0653 11.0653 11.0822 11.0822 12.6641 12.6641 12.7369 12.7369 12.7733 12.7733 13.3595 13.3595 13.3762 13.3762 13.4027 13.4027 13.4037 13.4037 17.1761 17.1761 k = 0.1383 0.0798 0.0565 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 3.9445 3.9445 9.7036 9.7036 9.7104 9.7104 9.8659 9.8659 10.2603 10.2603 10.2763 10.2763 11.0032 11.0032 11.0588 11.0588 11.0753 11.0753 12.6330 12.6330 12.7146 12.7146 12.7476 12.7476 13.3542 13.3542 13.3718 13.3718 13.4057 13.4057 13.4075 13.4075 17.0137 17.0137 k = 0.1489 0.0860 0.0608 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6334 -35.6334 -34.4260 -34.4260 -34.4257 -34.4257 3.9866 3.9866 9.6994 9.6994 9.7067 9.7067 9.8383 9.8383 10.2880 10.2880 10.3039 10.3039 10.9854 10.9854 11.0555 11.0555 11.0717 11.0717 12.6020 12.6020 12.6915 12.6915 12.7212 12.7212 13.3496 13.3496 13.3684 13.3684 13.4119 13.4119 13.4142 13.4142 16.8539 16.8539 k = 0.1596 0.0921 0.0651 ( 4008 PWs) bands (ev): -65.8830 -65.8830 -35.6335 -35.6335 -34.4261 -34.4261 -34.4258 -34.4258 4.0315 4.0315 9.6949 9.6949 9.7026 9.7026 9.8081 9.8081 10.3160 10.3160 10.3319 10.3319 10.9634 10.9634 11.0499 11.0499 11.0658 11.0658 12.5713 12.5713 12.6674 12.6674 12.6941 12.6941 13.3415 13.3415 13.3613 13.3613 13.4155 13.4155 13.4182 13.4182 16.6946 16.6946 k = 0.1702 0.0983 0.0695 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6335 -35.6335 -34.4262 -34.4262 -34.4258 -34.4258 4.0795 4.0795 9.6915 9.6915 9.6994 9.6994 9.7752 9.7752 10.3444 10.3444 10.3603 10.3603 10.9441 10.9441 11.0446 11.0446 11.0603 11.0603 12.5413 12.5413 12.6425 12.6425 12.6663 12.6663 13.3333 13.3333 13.3544 13.3544 13.4202 13.4202 13.4231 13.4231 16.5400 16.5400 k = 0.1809 0.1044 0.0738 ( 4002 PWs) bands (ev): -65.8823 -65.8823 -35.6335 -35.6335 -34.4262 -34.4262 -34.4257 -34.4257 4.1305 4.1305 9.6902 9.6902 9.6979 9.6979 9.7397 9.7397 10.3735 10.3735 10.3893 10.3893 10.9236 10.9236 11.0450 11.0450 11.0606 11.0606 12.5124 12.5124 12.6171 12.6171 12.6383 12.6383 13.3296 13.3296 13.3524 13.3524 13.4267 13.4267 13.4292 13.4292 16.3884 16.3884 k = 0.1915 0.1106 0.0782 ( 4002 PWs) bands (ev): -65.8823 -65.8823 -35.6335 -35.6335 -34.4262 -34.4262 -34.4257 -34.4257 4.1843 4.1843 9.6891 9.6891 9.6906 9.6906 9.7068 9.7068 10.4023 10.4023 10.4181 10.4181 10.8985 10.8985 11.0423 11.0423 11.0580 11.0580 12.4845 12.4845 12.5908 12.5908 12.6096 12.6096 13.3237 13.3237 13.3481 13.3481 13.4326 13.4326 13.4345 13.4345 16.2363 16.2363 k = 0.2021 0.1167 0.0825 ( 3996 PWs) bands (ev): -65.8816 -65.8816 -35.6335 -35.6335 -34.4263 -34.4263 -34.4257 -34.4257 4.2410 4.2410 9.6535 9.6535 9.6895 9.6895 9.7013 9.7013 10.4311 10.4311 10.4468 10.4468 10.8745 10.8745 11.0406 11.0406 11.0566 11.0566 12.4579 12.4579 12.5639 12.5639 12.5806 12.5806 13.3193 13.3193 13.3456 13.3456 13.4392 13.4392 13.4402 13.4402 16.0883 16.0883 k = 0.2128 0.1228 0.0869 ( 3996 PWs) bands (ev): -65.8816 -65.8816 -35.6335 -35.6335 -34.4263 -34.4263 -34.4257 -34.4257 4.3005 4.3005 9.6066 9.6066 9.6899 9.6899 9.7016 9.7016 10.4597 10.4597 10.4751 10.4751 10.8481 10.8481 11.0388 11.0388 11.0552 11.0552 12.4325 12.4325 12.5364 12.5364 12.5514 12.5514 13.3134 13.3134 13.3414 13.3414 13.4443 13.4443 13.4444 13.4444 15.9418 15.9418 k = 0.2234 0.1290 0.0912 ( 3996 PWs) bands (ev): -65.8816 -65.8816 -35.6335 -35.6335 -34.4263 -34.4263 -34.4257 -34.4257 4.3627 4.3627 9.5547 9.5547 9.6910 9.6910 9.7031 9.7031 10.4879 10.4879 10.5031 10.5031 10.8220 10.8220 11.0376 11.0376 11.0545 11.0545 12.4083 12.4083 12.5085 12.5085 12.5222 12.5222 13.3075 13.3075 13.3372 13.3372 13.4481 13.4481 13.4491 13.4491 15.7984 15.7984 k = 0.2340 0.1351 0.0955 ( 3996 PWs) bands (ev): -65.8816 -65.8816 -35.6336 -35.6336 -34.4264 -34.4264 -34.4257 -34.4257 4.4277 4.4277 9.4980 9.4980 9.6928 9.6928 9.7054 9.7054 10.5155 10.5155 10.5304 10.5304 10.7968 10.7968 11.0371 11.0371 11.0548 11.0548 12.3851 12.3851 12.4801 12.4801 12.4931 12.4931 13.3017 13.3017 13.3332 13.3332 13.4512 13.4512 13.4533 13.4533 15.6583 15.6583 k = 0.2447 0.1413 0.0999 ( 3990 PWs) bands (ev): -65.8809 -65.8809 -35.6336 -35.6336 -34.4264 -34.4264 -34.4257 -34.4257 4.4954 4.4954 9.4364 9.4364 9.6960 9.6960 9.7090 9.7090 10.5426 10.5426 10.5569 10.5569 10.7733 10.7733 11.0386 11.0386 11.0573 11.0573 12.3626 12.3626 12.4515 12.4515 12.4646 12.4646 13.2977 13.2977 13.3308 13.3308 13.4553 13.4553 13.4588 13.4588 15.5222 15.5222 k = 0.2553 0.1474 0.1042 ( 3990 PWs) bands (ev): -65.8808 -65.8808 -35.6336 -35.6336 -34.4264 -34.4264 -34.4257 -34.4257 4.5657 4.5657 9.3696 9.3696 9.6999 9.6999 9.7135 9.7135 10.5684 10.5684 10.5820 10.5820 10.7518 10.7518 11.0375 11.0375 11.0573 11.0573 12.3404 12.3404 12.4226 12.4226 12.4368 12.4368 13.2945 13.2945 13.3292 13.3292 13.4570 13.4570 13.4620 13.4620 15.3898 15.3898 k = 0.2660 0.1536 0.1086 ( 3990 PWs) bands (ev): -65.8808 -65.8808 -35.6336 -35.6336 -34.4265 -34.4265 -34.4257 -34.4257 4.6385 4.6385 9.2977 9.2977 9.7035 9.7035 9.7177 9.7177 10.5933 10.5933 10.6059 10.6059 10.7324 10.7324 11.0399 11.0399 11.0611 11.0611 12.3180 12.3180 12.3936 12.3936 12.4099 12.4099 13.2891 13.2891 13.3253 13.3253 13.4585 13.4585 13.4650 13.4650 15.2614 15.2614 k = 0.2766 0.1597 0.1129 ( 3990 PWs) bands (ev): -65.8808 -65.8808 -35.6336 -35.6336 -34.4265 -34.4265 -34.4257 -34.4257 4.7139 4.7139 9.2207 9.2207 9.7076 9.7076 9.7224 9.7224 10.6170 10.6170 10.6282 10.6282 10.7159 10.7159 11.0436 11.0436 11.0663 11.0663 12.2950 12.2950 12.3646 12.3646 12.3844 12.3844 13.2838 13.2838 13.3215 13.3215 13.4595 13.4595 13.4675 13.4675 15.1373 15.1373 k = 0.2872 0.1658 0.1173 ( 3984 PWs) bands (ev): -65.8800 -65.8800 -35.6336 -35.6336 -34.4266 -34.4266 -34.4257 -34.4257 4.7917 4.7917 9.1389 9.1389 9.7131 9.7131 9.7286 9.7286 10.6392 10.6392 10.6485 10.6485 10.7030 10.7030 11.0489 11.0489 11.0734 11.0734 12.2712 12.2712 12.3357 12.3357 12.3603 12.3603 13.2814 13.2814 13.3203 13.3203 13.4615 13.4615 13.4710 13.4710 15.0180 15.0180 k = 0.2979 0.1720 0.1216 ( 4002 PWs) bands (ev): -65.8822 -65.8822 -35.6337 -35.6337 -34.4267 -34.4267 -34.4258 -34.4258 4.8718 4.8718 9.0519 9.0519 9.7168 9.7168 9.7328 9.7328 10.6593 10.6593 10.6635 10.6635 10.6897 10.6897 11.0537 11.0537 11.0802 11.0802 12.2462 12.2462 12.3068 12.3068 12.3376 12.3376 13.2729 13.2729 13.3131 13.3131 13.4585 13.4585 13.4697 13.4697 14.8964 14.8964 k = 0.3085 0.1781 0.1259 ( 3999 PWs) bands (ev): -65.8818 -65.8818 -35.6337 -35.6337 -34.4267 -34.4267 -34.4258 -34.4258 4.9542 4.9542 8.9612 8.9612 9.7220 9.7220 9.7387 9.7387 10.6689 10.6689 10.6785 10.6785 10.6945 10.6945 11.0624 11.0624 11.0910 11.0910 12.2204 12.2204 12.2783 12.2783 12.3162 12.3162 13.2682 13.2682 13.3095 13.3095 13.4594 13.4594 13.4722 13.4722 14.7867 14.7867 k = 0.3191 0.1843 0.1303 ( 3996 PWs) bands (ev): -65.8814 -65.8814 -35.6337 -35.6337 -34.4267 -34.4267 -34.4258 -34.4258 5.0389 5.0389 8.8666 8.8666 9.7273 9.7273 9.7447 9.7447 10.6691 10.6691 10.6958 10.6958 10.7075 10.7075 11.0717 11.0717 11.1026 11.1026 12.1939 12.1939 12.2503 12.2503 12.2958 12.2958 13.2634 13.2634 13.3056 13.3056 13.4591 13.4591 13.4736 13.4736 14.6849 14.6849 k = 0.3298 0.1904 0.1346 ( 3996 PWs) bands (ev): -65.8814 -65.8814 -35.6337 -35.6337 -34.4268 -34.4268 -34.4258 -34.4258 5.1256 5.1256 8.7684 8.7684 9.7330 9.7330 9.7510 9.7510 10.6683 10.6683 10.7111 10.7111 10.7204 10.7204 11.0820 11.0820 11.1153 11.1153 12.1670 12.1670 12.2228 12.2228 12.2758 12.2758 13.2590 13.2590 13.3021 13.3021 13.4581 13.4581 13.4743 13.4743 14.5861 14.5861 k = 0.3404 0.1965 0.1390 ( 3996 PWs) bands (ev): -65.8814 -65.8814 -35.6337 -35.6337 -34.4268 -34.4268 -34.4258 -34.4258 5.2142 5.2142 8.6672 8.6672 9.7388 9.7388 9.7574 9.7574 10.6696 10.6696 10.7247 10.7247 10.7323 10.7323 11.0934 11.0934 11.1290 11.1290 12.1401 12.1401 12.1960 12.1960 12.2559 12.2559 13.2549 13.2549 13.2987 13.2987 13.4568 13.4568 13.4746 13.4746 14.4931 14.4931 k = 0.3511 0.2027 0.1433 ( 3993 PWs) bands (ev): -65.8810 -65.8810 -35.6338 -35.6338 -34.4268 -34.4268 -34.4258 -34.4258 5.3048 5.3048 8.5637 8.5637 9.7447 9.7447 9.7640 9.7640 10.6743 10.6743 10.7368 10.7368 10.7430 10.7430 11.1059 11.1059 11.1438 11.1438 12.1135 12.1135 12.1699 12.1699 12.2360 12.2360 13.2512 13.2512 13.2955 13.2955 13.4560 13.4560 13.4754 13.4754 14.4084 14.4084 k = 0.3617 0.2088 0.1477 ( 3993 PWs) bands (ev): -65.8810 -65.8810 -35.6338 -35.6338 -34.4269 -34.4269 -34.4258 -34.4258 5.3970 5.3970 8.4576 8.4576 9.7511 9.7511 9.7711 9.7711 10.6794 10.6794 10.7469 10.7469 10.7518 10.7518 11.1184 11.1184 11.1585 11.1585 12.0874 12.0874 12.1449 12.1449 12.2158 12.2158 13.2495 13.2495 13.2941 13.2941 13.4532 13.4532 13.4740 13.4740 14.3264 14.3264 k = 0.3723 0.2150 0.1520 ( 4005 PWs) bands (ev): -65.8824 -65.8824 -35.6338 -35.6338 -34.4269 -34.4269 -34.4258 -34.4258 5.4907 5.4907 8.3502 8.3502 9.7554 9.7554 9.7759 9.7759 10.6862 10.6862 10.7543 10.7543 10.7583 10.7583 11.1311 11.1311 11.1734 11.1734 12.0619 12.0619 12.1208 12.1208 12.1953 12.1953 13.2421 13.2421 13.2869 13.2869 13.4498 13.4498 13.4720 13.4720 14.2507 14.2507 k = 0.3830 0.2211 0.1564 ( 3999 PWs) bands (ev): -65.8816 -65.8816 -35.6338 -35.6338 -34.4269 -34.4269 -34.4258 -34.4258 5.5857 5.5857 8.2418 8.2418 9.7613 9.7613 9.7824 9.7824 10.6973 10.6973 10.7623 10.7623 10.7658 10.7658 11.1449 11.1449 11.1891 11.1891 12.0376 12.0376 12.0981 12.0981 12.1746 12.1746 13.2393 13.2393 13.2842 13.2842 13.4498 13.4498 13.4732 13.4732 14.1852 14.1852 k = 0.3936 0.2273 0.1607 ( 4005 PWs) bands (ev): -65.8824 -65.8824 -35.6338 -35.6338 -34.4270 -34.4270 -34.4258 -34.4258 5.6816 5.6816 8.1325 8.1325 9.7664 9.7664 9.7881 9.7881 10.7077 10.7077 10.7675 10.7675 10.7705 10.7705 11.1578 11.1578 11.2039 11.2039 12.0142 12.0142 12.0767 12.0767 12.1538 12.1538 13.2358 13.2358 13.2808 13.2808 13.4449 13.4449 13.4697 13.4697 14.1230 14.1230 k = 0.4043 0.2334 0.1650 ( 4005 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4270 -34.4270 -34.4258 -34.4258 5.7781 5.7781 8.0233 8.0233 9.7714 9.7714 9.7936 9.7936 10.7190 10.7190 10.7732 10.7732 10.7760 10.7760 11.1709 11.1709 11.2186 11.2186 11.9923 11.9923 12.0568 12.0568 12.1332 12.1332 13.2330 13.2330 13.2778 13.2778 13.4432 13.4432 13.4690 13.4690 14.0672 14.0672 k = 0.4149 0.2395 0.1694 ( 4005 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4271 -34.4271 -34.4258 -34.4258 5.8746 5.8746 7.9146 7.9146 9.7766 9.7766 9.7993 9.7993 10.7301 10.7301 10.7783 10.7783 10.7810 10.7810 11.1832 11.1832 11.2324 11.2324 11.9718 11.9718 12.0386 12.0386 12.1130 12.1130 13.2315 13.2315 13.2763 13.2763 13.4406 13.4406 13.4675 13.4675 14.0162 14.0162 k = 0.4255 0.2457 0.1737 ( 3999 PWs) bands (ev): -65.8816 -65.8816 -35.6339 -35.6339 -34.4271 -34.4271 -34.4258 -34.4258 5.9707 5.9707 7.8076 7.8076 9.7822 9.7822 9.8053 9.8053 10.7418 10.7418 10.7826 10.7826 10.7859 10.7859 11.1946 11.1946 11.2451 11.2451 11.9530 11.9530 12.0221 12.0221 12.0938 12.0938 13.2317 13.2317 13.2758 13.2758 13.4409 13.4409 13.4683 13.4683 13.9726 13.9726 k = 0.4362 0.2518 0.1781 ( 4005 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4271 -34.4271 -34.4258 -34.4258 6.0651 6.0651 7.7035 7.7035 9.7853 9.7853 9.8087 9.8087 10.7525 10.7525 10.7854 10.7854 10.7898 10.7898 11.2048 11.2048 11.2565 11.2565 11.9360 11.9360 12.0076 12.0076 12.0758 12.0758 13.2282 13.2282 13.2723 13.2723 13.4368 13.4368 13.4651 13.4651 13.9354 13.9354 k = 0.4468 0.2580 0.1824 ( 4017 PWs) bands (ev): -65.8839 -65.8839 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.1565 6.1565 7.6035 7.6035 9.7873 9.7873 9.8110 9.8110 10.7614 10.7614 10.7863 10.7863 10.7929 10.7929 11.2136 11.2136 11.2663 11.2663 11.9211 11.9211 11.9950 11.9950 12.0597 12.0597 13.2242 13.2242 13.2684 13.2684 13.4294 13.4294 13.4587 13.4587 13.9042 13.9042 k = 0.4574 0.2641 0.1868 ( 4017 PWs) bands (ev): -65.8839 -65.8839 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.2427 6.2427 7.5103 7.5103 9.7900 9.7900 9.8140 9.8140 10.7687 10.7687 10.7886 10.7886 10.7979 10.7979 11.2212 11.2212 11.2747 11.2747 11.9084 11.9084 11.9847 11.9847 12.0458 12.0458 13.2227 13.2227 13.2666 13.2666 13.4282 13.4282 13.4581 13.4581 13.8790 13.8790 k = 0.4681 0.2702 0.1911 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.3202 6.3202 7.4270 7.4270 9.7920 9.7920 9.8162 9.8162 10.7734 10.7734 10.7903 10.7903 10.8022 10.8022 11.2272 11.2272 11.2813 11.2813 11.8983 11.8983 11.9765 11.9765 12.0345 12.0345 13.2213 13.2213 13.2650 13.2650 13.4264 13.4264 13.4568 13.4568 13.8577 13.8577 k = 0.4787 0.2764 0.1954 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.3839 6.3839 7.3593 7.3593 9.7935 9.7935 9.8180 9.8180 10.7768 10.7768 10.7916 10.7916 10.8063 10.8063 11.2316 11.2316 11.2862 11.2862 11.8908 11.8908 11.9706 11.9706 12.0262 12.0262 13.2205 13.2205 13.2640 13.2640 13.4258 13.4258 13.4564 13.4564 13.8439 13.8439 k = 0.4894 0.2825 0.1998 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4269 6.4269 7.3139 7.3139 9.7945 9.7945 9.8190 9.8190 10.7787 10.7787 10.7924 10.7924 10.8091 10.8091 11.2343 11.2343 11.2891 11.2891 11.8863 11.8863 11.9670 11.9670 12.0211 12.0211 13.2200 13.2200 13.2634 13.2634 13.4254 13.4254 13.4562 13.4562 13.8357 13.8357 k = 0.5000 0.2887 0.2041 ( 4044 PWs) bands (ev): -65.8871 -65.8871 -35.6340 -35.6340 -34.4273 -34.4273 -34.4260 -34.4260 6.4422 6.4422 7.2972 7.2972 9.7926 9.7926 9.8171 9.8171 10.7760 10.7760 10.7891 10.7891 10.8063 10.8063 11.2351 11.2351 11.2900 11.2900 11.8847 11.8847 11.9658 11.9658 12.0194 12.0194 13.2142 13.2142 13.2578 13.2578 13.4203 13.4203 13.4514 13.4514 13.8256 13.8256 k = 0.5000 0.2887 0.2041 ( 4044 PWs) bands (ev): -65.8871 -65.8871 -35.6340 -35.6340 -34.4273 -34.4273 -34.4260 -34.4260 6.4422 6.4422 7.2972 7.2972 9.7926 9.7926 9.8171 9.8171 10.7760 10.7760 10.7891 10.7891 10.8063 10.8063 11.2351 11.2351 11.2900 11.2900 11.8847 11.8847 11.9658 11.9658 12.0194 12.0194 13.2142 13.2142 13.2578 13.2578 13.4203 13.4203 13.4514 13.4514 13.8256 13.8256 k = 0.5037 0.2781 0.2101 ( 4022 PWs) bands (ev): -65.8845 -65.8845 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4430 6.4430 7.2990 7.2990 9.7941 9.7941 9.8188 9.8188 10.7782 10.7782 10.7923 10.7923 10.8083 10.8083 11.2366 11.2366 11.2914 11.2914 11.8846 11.8846 11.9654 11.9654 12.0199 12.0199 13.2193 13.2193 13.2627 13.2627 13.4247 13.4247 13.4556 13.4556 13.8321 13.8321 k = 0.5074 0.2674 0.2161 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4454 6.4454 7.3029 7.3029 9.7922 9.7922 9.8186 9.8186 10.7755 10.7755 10.7926 10.7926 10.8055 10.8055 11.2407 11.2407 11.2953 11.2953 11.8842 11.8842 11.9640 11.9640 12.0212 12.0212 13.2203 13.2203 13.2640 13.2640 13.4231 13.4231 13.4545 13.4545 13.8320 13.8320 k = 0.5110 0.2568 0.2221 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4494 6.4494 7.3093 7.3093 9.7869 9.7869 9.8198 9.8198 10.7682 10.7682 10.7915 10.7915 10.8038 10.8038 11.2472 11.2472 11.3018 11.3018 11.8833 11.8833 11.9617 11.9617 12.0235 12.0235 13.2208 13.2208 13.2651 13.2651 13.4203 13.4203 13.4527 13.4527 13.8307 13.8307 k = 0.5147 0.2462 0.2281 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4549 6.4549 7.3184 7.3184 9.7772 9.7772 9.8234 9.8234 10.7553 10.7553 10.7887 10.7887 10.8070 10.8070 11.2555 11.2555 11.3106 11.3106 11.8820 11.8820 11.9586 11.9586 12.0269 12.0269 13.2210 13.2210 13.2668 13.2668 13.4158 13.4158 13.4506 13.4506 13.8292 13.8292 k = 0.5184 0.2356 0.2341 ( 4016 PWs) bands (ev): -65.8838 -65.8838 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4620 6.4620 7.3300 7.3300 9.7646 9.7646 9.8291 9.8291 10.7377 10.7377 10.7863 10.7863 10.8130 10.8130 11.2654 11.2654 11.3216 11.3216 11.8799 11.8799 11.9546 11.9546 12.0316 12.0316 13.2213 13.2213 13.2699 13.2699 13.4124 13.4124 13.4497 13.4497 13.8273 13.8273 k = 0.5221 0.2250 0.2401 ( 4010 PWs) bands (ev): -65.8831 -65.8831 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4707 6.4707 7.3442 7.3442 9.7477 9.7477 9.8384 9.8384 10.7166 10.7166 10.7846 10.7846 10.8208 10.8208 11.2764 11.2764 11.3342 11.3342 11.8770 11.8770 11.9499 11.9499 12.0376 12.0376 13.2230 13.2230 13.2738 13.2738 13.4065 13.4065 13.4491 13.4491 13.8255 13.8255 k = 0.5257 0.2144 0.2461 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4809 6.4809 7.3609 7.3609 9.7272 9.7272 9.8478 9.8478 10.6920 10.6920 10.7813 10.7813 10.8295 10.8295 11.2884 11.2884 11.3478 11.3478 11.8731 11.8731 11.9446 11.9446 12.0450 12.0450 13.2210 13.2210 13.2772 13.2772 13.3966 13.3966 13.4474 13.4474 13.8225 13.8226 k = 0.5294 0.2038 0.2522 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4926 6.4926 7.3801 7.3801 9.7035 9.7035 9.8598 9.8598 10.6650 10.6650 10.7785 10.7785 10.8392 10.8392 11.3013 11.3013 11.3619 11.3619 11.8683 11.8683 11.9387 11.9387 12.0537 12.0537 13.2191 13.2191 13.2809 13.2809 13.3869 13.3869 13.4491 13.4491 13.8180 13.8180 k = 0.5331 0.1932 0.2582 ( 4010 PWs) bands (ev): -65.8832 -65.8832 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.5058 6.5058 7.4018 7.4018 9.6775 9.6775 9.8732 9.8732 10.6365 10.6365 10.7753 10.7753 10.8515 10.8515 11.3151 11.3151 11.3762 11.3762 11.8626 11.8626 11.9324 11.9324 12.0637 12.0637 13.2166 13.2166 13.2869 13.2869 13.3747 13.3747 13.4492 13.4492 13.8154 13.8154 k = 0.5368 0.1825 0.2642 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6339 -35.6339 -34.4272 -34.4272 -34.4260 -34.4260 6.5205 6.5205 7.4259 7.4259 9.6480 9.6480 9.8868 9.8868 10.6058 10.6058 10.7707 10.7707 10.8661 10.8661 11.3294 11.3294 11.3900 11.3900 11.8560 11.8560 11.9260 11.9260 12.0747 12.0747 13.2096 13.2096 13.2915 13.2915 13.3632 13.3632 13.4497 13.4497 13.8101 13.8101 k = 0.5404 0.1719 0.2702 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5366 6.5366 7.4523 7.4523 9.6163 9.6163 9.9038 9.9038 10.5743 10.5743 10.7675 10.7675 10.8818 10.8818 11.3443 11.3443 11.4032 11.4032 11.8486 11.8486 11.9197 11.9197 12.0866 12.0866 13.2056 13.2056 13.2968 13.2968 13.3504 13.3504 13.4517 13.4517 13.8064 13.8064 k = 0.5441 0.1613 0.2762 ( 4002 PWs) bands (ev): -65.8823 -65.8823 -35.6339 -35.6339 -34.4271 -34.4271 -34.4259 -34.4259 6.5542 6.5542 7.4812 7.4812 9.5828 9.5828 9.9228 9.9228 10.5422 10.5422 10.7658 10.7658 10.9007 10.9007 11.3597 11.3597 11.4159 11.4159 11.8405 11.8405 11.9140 11.9140 12.0992 12.0992 13.2014 13.2014 13.3002 13.3002 13.3427 13.3427 13.4582 13.4582 13.8031 13.8031 k = 0.5478 0.1507 0.2822 ( 4005 PWs) bands (ev): -65.8827 -65.8827 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5730 6.5730 7.5123 7.5123 9.5461 9.5461 9.9415 9.9415 10.5083 10.5083 10.7626 10.7626 10.9182 10.9182 11.3747 11.3747 11.4276 11.4276 11.8314 11.8314 11.9088 11.9088 12.1122 12.1122 13.1920 13.1920 13.2936 13.2936 13.3387 13.3387 13.4618 13.4618 13.7985 13.7985 k = 0.5515 0.1401 0.2882 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5932 6.5932 7.5457 7.5457 9.5074 9.5074 9.9622 9.9622 10.4736 10.4736 10.7605 10.7605 10.9384 10.9384 11.3888 11.3888 11.4391 11.4391 11.8215 11.8215 11.9047 11.9047 12.1255 12.1255 13.1831 13.1831 13.2814 13.2814 13.3433 13.3433 13.4678 13.4678 13.7938 13.7938 k = 0.5551 0.1295 0.2942 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.6146 6.6146 7.5814 7.5814 9.4662 9.4662 9.9846 9.9846 10.4383 10.4383 10.7580 10.7580 10.9599 10.9599 11.4009 11.4009 11.4514 11.4514 11.8107 11.8107 11.9018 11.9018 12.1388 12.1388 13.1735 13.1735 13.2667 13.2667 13.3507 13.3507 13.4740 13.4740 13.7899 13.7899 k = 0.5588 0.1189 0.3002 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6340 -35.6340 -34.4271 -34.4271 -34.4260 -34.4260 6.6372 6.6372 7.6190 7.6190 9.4231 9.4231 10.0080 10.0080 10.4021 10.4021 10.7554 10.7554 10.9815 10.9815 11.4096 11.4096 11.4653 11.4653 11.7989 11.7989 11.9003 11.9003 12.1518 12.1518 13.1623 13.1623 13.2477 13.2477 13.3597 13.3597 13.4804 13.4804 13.7844 13.7844 k = 0.5625 0.1083 0.3062 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6609 6.6609 7.6588 7.6588 9.3785 9.3785 10.0333 10.0333 10.3656 10.3656 10.7529 10.7529 11.0043 11.0043 11.4149 11.4149 11.4813 11.4813 11.7863 11.7863 11.9002 11.9002 12.1646 12.1646 13.1518 13.1518 13.2304 13.2304 13.3705 13.3705 13.4880 13.4880 13.7791 13.7791 k = 0.5662 0.0976 0.3122 ( 3999 PWs) bands (ev): -65.8820 -65.8820 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6857 6.6857 7.7004 7.7004 9.3322 9.3322 10.0596 10.0596 10.3282 10.3282 10.7509 10.7509 11.0294 11.0294 11.4167 11.4167 11.4990 11.4990 11.7730 11.7730 11.9016 11.9016 12.1769 12.1769 13.1396 13.1396 13.2131 13.2131 13.3824 13.3824 13.4959 13.4959 13.7733 13.7733 k = 0.5699 0.0870 0.3182 ( 3995 PWs) bands (ev): -65.8815 -65.8815 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7114 6.7114 7.7439 7.7439 9.2846 9.2846 10.0870 10.0870 10.2908 10.2908 10.7491 10.7491 11.0554 11.0554 11.4163 11.4163 11.5179 11.5179 11.7592 11.7592 11.9043 11.9043 12.1886 12.1886 13.1264 13.1264 13.1976 13.1976 13.3956 13.3956 13.5046 13.5046 13.7675 13.7675 k = 0.5735 0.0764 0.3242 ( 3999 PWs) bands (ev): -65.8820 -65.8820 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7379 6.7379 7.7890 7.7890 9.2345 9.2345 10.1150 10.1150 10.2530 10.2530 10.7471 10.7471 11.0804 11.0804 11.4135 11.4135 11.5372 11.5372 11.7452 11.7452 11.9079 11.9079 12.1994 12.1994 13.1115 13.1115 13.1780 13.1780 13.4073 13.4073 13.5130 13.5130 13.7602 13.7602 k = 0.5772 0.0658 0.3302 ( 3998 PWs) bands (ev): -65.8819 -65.8819 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7651 6.7651 7.8357 7.8357 9.1834 9.1834 10.1439 10.1439 10.2155 10.2155 10.7473 10.7473 11.1045 11.1045 11.4099 11.4099 11.5564 11.5564 11.7317 11.7317 11.9122 11.9122 12.2095 12.2095 13.0961 13.0961 13.1616 13.1616 13.4201 13.4201 13.5250 13.5250 13.7529 13.7529 k = 0.5809 0.0552 0.3362 ( 4000 PWs) bands (ev): -65.8821 -65.8821 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.7929 6.7929 7.8840 7.8840 9.1310 9.1310 10.1694 10.1694 10.1826 10.1826 10.7464 10.7464 11.1270 11.1270 11.4063 11.4063 11.5742 11.5742 11.7192 11.7192 11.9169 11.9169 12.2188 12.2188 13.0798 13.0798 13.1459 13.1459 13.4326 13.4326 13.5352 13.5352 13.7462 13.7462 k = 0.5846 0.0446 0.3422 ( 4004 PWs) bands (ev): -65.8826 -65.8826 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.8210 6.8210 7.9332 7.9332 9.0776 9.0776 10.1394 10.1394 10.2057 10.2057 10.7449 10.7449 11.1495 11.1495 11.4025 11.4025 11.5889 11.5889 11.7095 11.7095 11.9220 11.9220 12.2271 12.2271 13.0625 13.0625 13.1312 13.1312 13.4463 13.4463 13.5444 13.5444 13.7377 13.7377 k = 0.5882 0.0340 0.3482 ( 4008 PWs) bands (ev): -65.8830 -65.8830 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.8493 6.8493 7.9831 7.9831 9.0234 9.0234 10.1028 10.1028 10.2373 10.2373 10.7447 10.7447 11.1695 11.1695 11.3995 11.3995 11.5981 11.5981 11.7055 11.7055 11.9271 11.9271 12.2347 12.2347 13.0457 13.0457 13.1169 13.1169 13.4601 13.4601 13.5550 13.5550 13.7267 13.7267 k = 0.5919 0.0233 0.3542 ( 4010 PWs) bands (ev): -65.8833 -65.8833 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8776 6.8776 8.0340 8.0340 8.9685 8.9685 10.0671 10.0671 10.2698 10.2698 10.7436 10.7436 11.1871 11.1871 11.3994 11.3994 11.5988 11.5988 11.7094 11.7094 11.9324 11.9324 12.2416 12.2416 13.0288 13.0288 13.1052 13.1052 13.4738 13.4738 13.5641 13.5641 13.7194 13.7194 k = 0.5956 0.0127 0.3602 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.9056 6.9056 8.0848 8.0848 8.9134 8.9134 10.0324 10.0324 10.3024 10.3024 10.7443 10.7443 11.1990 11.1990 11.4030 11.4030 11.5919 11.5919 11.7210 11.7210 11.9374 11.9374 12.2479 12.2479 13.0101 13.0101 13.0956 13.0956 13.4869 13.4869 13.5754 13.5754 13.7080 13.7080 k = 0.5993 0.0021 0.3662 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9329 6.9329 8.1350 8.1350 8.8597 8.8597 9.9990 9.9990 10.3361 10.3361 10.7435 10.7435 11.2072 11.2072 11.4099 11.4099 11.5795 11.5795 11.7377 11.7377 11.9423 11.9423 12.2539 12.2539 12.9928 12.9928 13.0856 13.0856 13.5020 13.5020 13.5830 13.5830 13.6953 13.6953 k = 0.6029-0.0085 0.3722 ( 4022 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9592 6.9592 8.1837 8.1837 8.8075 8.8075 9.9675 9.9675 10.3692 10.3692 10.7448 10.7448 11.2104 11.2104 11.4194 11.4194 11.5645 11.5645 11.7571 11.7571 11.9470 11.9470 12.2601 12.2601 12.9731 12.9731 13.0771 13.0771 13.5154 13.5154 13.5935 13.5935 13.6848 13.6848 k = 0.6066-0.0191 0.3782 ( 4017 PWs) bands (ev): -65.8841 -65.8841 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9844 6.9844 8.2292 8.2292 8.7591 8.7591 9.9382 9.9382 10.4030 10.4030 10.7479 10.7479 11.2102 11.2102 11.4325 11.4325 11.5485 11.5485 11.7778 11.7778 11.9519 11.9519 12.2667 12.2667 12.9551 12.9551 13.0762 13.0762 13.5285 13.5285 13.6061 13.6061 13.6739 13.6739 k = 0.6103-0.0297 0.3842 ( 4021 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 7.0073 7.0073 8.2685 8.2685 8.7172 8.7172 9.9109 9.9109 10.4366 10.4366 10.7493 10.7493 11.2057 11.2057 11.4454 11.4454 11.5314 11.5314 11.7990 11.7990 11.9563 11.9563 12.2742 12.2742 12.9370 12.9370 13.0718 13.0718 13.5399 13.5399 13.6140 13.6140 13.6619 13.6619 k = 0.6140-0.0403 0.3902 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0278 7.0278 8.2976 8.2976 8.6865 8.6865 9.8861 9.8861 10.4698 10.4698 10.7523 10.7523 11.1976 11.1976 11.4571 11.4571 11.5146 11.5146 11.8202 11.8202 11.9601 11.9601 12.2830 12.2830 12.9190 12.9190 13.0690 13.0690 13.5496 13.5496 13.6223 13.6223 13.6517 13.6517 k = 0.6176-0.0509 0.3962 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0451 7.0451 8.3113 8.3113 8.6732 8.6732 9.8642 9.8642 10.5028 10.5028 10.7548 10.7548 11.1897 11.1897 11.4676 11.4676 11.4984 11.4984 11.8411 11.8411 11.9644 11.9644 12.2938 12.2938 12.9020 12.9020 13.0699 13.0699 13.5585 13.5585 13.6256 13.6256 13.6437 13.6437 k = 0.6213-0.0616 0.4022 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0580 7.0580 8.3069 8.3069 8.6798 8.6798 9.8452 9.8452 10.5344 10.5344 10.7573 10.7573 11.1793 11.1793 11.4721 11.4721 11.4861 11.4861 11.8613 11.8613 11.9683 11.9683 12.3067 12.3067 12.8845 12.8845 13.0698 13.0698 13.5614 13.5614 13.6228 13.6228 13.6403 13.6403 k = 0.6250-0.0722 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.6250-0.0722 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.6188-0.0686 0.4185 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0665 7.0665 8.2884 8.2884 8.7051 8.7051 9.8275 9.8275 10.5645 10.5645 10.7606 10.7606 11.1684 11.1684 11.4629 11.4629 11.4841 11.4841 11.8793 11.8793 11.9741 11.9741 12.3225 12.3225 12.8672 12.8672 13.0746 13.0746 13.5565 13.5565 13.6131 13.6131 13.6456 13.6456 k = 0.6125-0.0650 0.4287 ( 4028 PWs) bands (ev): -65.8855 -65.8855 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0680 7.0680 8.2909 8.2909 8.7065 8.7065 9.8239 9.8239 10.5665 10.5665 10.7643 10.7643 11.1670 11.1670 11.4631 11.4631 11.4783 11.4783 11.8757 11.8757 11.9813 11.9813 12.3231 12.3231 12.8746 12.8746 13.0769 13.0769 13.5534 13.5534 13.6039 13.6039 13.6597 13.6597 k = 0.6062-0.0613 0.4389 ( 4032 PWs) bands (ev): -65.8860 -65.8860 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0704 7.0704 8.2951 8.2951 8.7078 8.7078 9.8152 9.8152 10.5681 10.5681 10.7677 10.7677 11.1643 11.1643 11.4574 11.4574 11.4739 11.4739 11.8697 11.8697 11.9911 11.9911 12.3239 12.3239 12.8833 12.8833 13.0800 13.0800 13.5418 13.5418 13.5903 13.5903 13.6716 13.6716 k = 0.6000-0.0577 0.4491 ( 4032 PWs) bands (ev): -65.8860 -65.8860 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0737 7.0737 8.3010 8.3010 8.7102 8.7102 9.8046 9.8046 10.5699 10.5699 10.7736 10.7736 11.1608 11.1608 11.4427 11.4427 11.4757 11.4757 11.8618 11.8618 12.0046 12.0046 12.3251 12.3251 12.8934 12.8934 13.0839 13.0839 13.5295 13.5295 13.5791 13.5791 13.6848 13.6848 k = 0.5938-0.0541 0.4593 ( 4019 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0781 7.0781 8.3086 8.3086 8.7137 8.7137 9.7918 9.7918 10.5731 10.5731 10.7830 10.7830 11.1586 11.1586 11.4239 11.4239 11.4803 11.4803 11.8524 11.8524 12.0207 12.0207 12.3267 12.3267 12.9086 12.9086 13.0931 13.0931 13.5172 13.5172 13.5707 13.5707 13.7003 13.7003 k = 0.5875-0.0505 0.4695 ( 4022 PWs) bands (ev): -65.8848 -65.8848 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0829 7.0829 8.3178 8.3178 8.7169 8.7169 9.7757 9.7757 10.5760 10.5760 10.7912 10.7912 11.1526 11.1526 11.4010 11.4010 11.4858 11.4858 11.8414 11.8414 12.0380 12.0380 12.3284 12.3284 12.9228 12.9228 13.0982 13.0982 13.5011 13.5011 13.5588 13.5588 13.7112 13.7112 k = 0.5813-0.0469 0.4797 ( 4023 PWs) bands (ev): -65.8849 -65.8849 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0886 7.0886 8.3286 8.3286 8.7203 8.7203 9.7569 9.7569 10.5790 10.5790 10.8021 10.8021 11.1468 11.1468 11.3759 11.3759 11.4923 11.4923 11.8290 11.8290 12.0562 12.0562 12.3302 12.3302 12.9397 12.9397 13.1054 13.1054 13.4836 13.4836 13.5451 13.5451 13.7233 13.7233 k = 0.5750-0.0433 0.4899 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0949 7.0949 8.3411 8.3411 8.7237 8.7237 9.7361 9.7361 10.5820 10.5820 10.8145 10.8145 11.1404 11.1404 11.3492 11.3492 11.4995 11.4995 11.8156 11.8156 12.0750 12.0750 12.3321 12.3321 12.9559 12.9559 13.1133 13.1133 13.4655 13.4655 13.5307 13.5307 13.7353 13.7353 k = 0.5687-0.0397 0.5001 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1021 7.1021 8.3551 8.3551 8.7268 8.7268 9.7131 9.7131 10.5856 10.5856 10.8281 10.8281 11.1341 11.1341 11.3217 11.3217 11.5073 11.5073 11.8012 11.8012 12.0939 12.0939 12.3341 12.3341 12.9754 12.9754 13.1252 13.1252 13.4467 13.4467 13.5142 13.5142 13.7467 13.7467 k = 0.5625-0.0361 0.5103 ( 4029 PWs) bands (ev): -65.8856 -65.8856 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1094 7.1094 8.3708 8.3708 8.7292 8.7292 9.6888 9.6888 10.5894 10.5894 10.8423 10.8423 11.1270 11.1270 11.2933 11.2933 11.5155 11.5155 11.7863 11.7863 12.1123 12.1123 12.3361 12.3361 12.9958 12.9958 13.1346 13.1346 13.4270 13.4270 13.4959 13.4959 13.7568 13.7568 k = 0.5563-0.0325 0.5205 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.1171 7.1171 8.3880 8.3880 8.7306 8.7306 9.6632 9.6632 10.5926 10.5926 10.8572 10.8572 11.1190 11.1190 11.2645 11.2645 11.5241 11.5241 11.7710 11.7710 12.1301 12.1301 12.3379 12.3379 13.0146 13.0146 13.1448 13.1448 13.4077 13.4077 13.4775 13.4775 13.7655 13.7655 k = 0.5500-0.0289 0.5307 ( 4036 PWs) bands (ev): -65.8864 -65.8864 -35.6341 -35.6341 -34.4272 -34.4272 -34.4265 -34.4265 7.1252 7.1252 8.4068 8.4068 8.7305 8.7305 9.6376 9.6376 10.5966 10.5966 10.8753 10.8753 11.1114 11.1114 11.2362 11.2362 11.5334 11.5334 11.7556 11.7556 12.1469 12.1469 12.3396 12.3396 13.0368 13.0368 13.1563 13.1563 13.3897 13.3897 13.4596 13.4596 13.7762 13.7762 k = 0.5437-0.0253 0.5409 ( 4030 PWs) bands (ev): -65.8857 -65.8857 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1336 7.1336 8.4272 8.4272 8.7283 8.7283 9.6122 9.6122 10.6014 10.6014 10.8952 10.8952 11.1052 11.1052 11.2085 11.2085 11.5431 11.5431 11.7400 11.7400 12.1625 12.1625 12.3411 12.3411 13.0639 13.0639 13.1711 13.1711 13.3730 13.3730 13.4393 13.4393 13.7870 13.7870 k = 0.5375-0.0217 0.5511 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1416 7.1416 8.4493 8.4493 8.7228 8.7228 9.5875 9.5875 10.6053 10.6053 10.9159 10.9159 11.0979 11.0979 11.1810 11.1810 11.5530 11.5530 11.7244 11.7244 12.1764 12.1764 12.3423 12.3423 13.0872 13.0872 13.1857 13.1857 13.3570 13.3570 13.4150 13.4150 13.7968 13.7968 k = 0.5312-0.0180 0.5613 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4271 -34.4271 -34.4265 -34.4265 7.1493 7.1493 8.4727 8.4727 8.7147 8.7147 9.5651 9.5651 10.6090 10.6090 10.9365 10.9365 11.0906 11.0906 11.1554 11.1554 11.5627 11.5627 11.7097 11.7097 12.1887 12.1887 12.3432 12.3432 13.1089 13.1089 13.2012 13.2012 13.3400 13.3400 13.3943 13.3943 13.8058 13.8058 k = 0.5250-0.0144 0.5715 ( 4013 PWs) bands (ev): -65.8836 -65.8836 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1567 7.1567 8.4978 8.4978 8.7039 8.7039 9.5457 9.5457 10.6139 10.6139 10.9586 10.9586 11.0861 11.0861 11.1338 11.1338 11.5725 11.5725 11.6967 11.6967 12.1991 12.1991 12.3438 12.3438 13.1319 13.1319 13.2217 13.2217 13.3279 13.3279 13.3814 13.3814 13.8147 13.8147 k = 0.5188-0.0108 0.5818 ( 4015 PWs) bands (ev): -65.8838 -65.8838 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1629 7.1629 8.5240 8.5240 8.6875 8.6875 9.5296 9.5296 10.6161 10.6161 10.9798 10.9798 11.0782 11.0782 11.1123 11.1123 11.5813 11.5813 11.6841 11.6841 12.2072 12.2072 12.3441 12.3441 13.1513 13.1513 13.2373 13.2373 13.3114 13.3114 13.3603 13.3603 13.8213 13.8213 k = 0.5125-0.0072 0.5920 ( 4013 PWs) bands (ev): -65.8836 -65.8836 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1679 7.1679 8.5518 8.5518 8.6666 8.6666 9.5177 9.5177 10.6184 10.6184 11.0013 11.0013 11.0697 11.0697 11.0947 11.0947 11.5892 11.5892 11.6735 11.6735 12.2131 12.2131 12.3442 12.3442 13.1701 13.1701 13.2518 13.2518 13.2969 13.2969 13.3431 13.3431 13.8250 13.8250 k = 0.5062-0.0036 0.6022 ( 3998 PWs) bands (ev): -65.8817 -65.8817 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1714 7.1714 8.5808 8.5808 8.6420 8.6420 9.5108 9.5108 10.6227 10.6227 11.0225 11.0225 11.0596 11.0596 11.0852 11.0852 11.5950 11.5950 11.6665 11.6665 12.2167 12.2167 12.3442 12.3442 13.1889 13.1889 13.2681 13.2681 13.2864 13.2864 13.3342 13.3342 13.8248 13.8248 k = 0.5000-0.0000 0.6124 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1726 7.1726 8.6052 8.6052 8.6189 8.6189 9.5083 9.5083 10.6234 10.6234 11.0335 11.0335 11.0524 11.0524 11.0811 11.0811 11.5971 11.5971 11.6640 11.6640 12.2179 12.2179 12.3441 12.3441 13.1945 13.1945 13.2755 13.2755 13.2795 13.2795 13.3301 13.3301 13.8248 13.8249 k = 0.5000-0.0000 0.6124 ( 3996 PWs) bands (ev): -65.8815 -65.8815 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1726 7.1726 8.6052 8.6052 8.6189 8.6189 9.5083 9.5083 10.6234 10.6234 11.0335 11.0335 11.0524 11.0524 11.0811 11.0811 11.5971 11.5971 11.6640 11.6640 12.2179 12.2179 12.3441 12.3441 13.1945 13.1945 13.2755 13.2755 13.2795 13.2795 13.3301 13.3301 13.8248 13.8249 k = 0.5000 0.0074 0.6019 ( 4002 PWs) bands (ev): -65.8822 -65.8822 -35.6341 -35.6341 -34.4270 -34.4270 -34.4264 -34.4264 7.1705 7.1705 8.6030 8.6030 8.6186 8.6186 9.5127 9.5127 10.6201 10.6201 11.0295 11.0295 11.0502 11.0502 11.0849 11.0849 11.5979 11.5979 11.6650 11.6650 12.2150 12.2150 12.3431 12.3431 13.1877 13.1877 13.2676 13.2676 13.2864 13.2864 13.3352 13.3352 13.8249 13.8249 k = 0.5000 0.0148 0.5914 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1641 7.1641 8.5903 8.5903 8.6235 8.6235 9.5260 9.5260 10.6116 10.6116 11.0204 11.0204 11.0460 11.0460 11.0982 11.0982 11.6002 11.6002 11.6676 11.6676 12.2063 12.2063 12.3402 12.3402 13.1687 13.1687 13.2532 13.2532 13.2992 13.2992 13.3464 13.3464 13.8219 13.8219 k = 0.5000 0.0222 0.5810 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1542 7.1542 8.5672 8.5672 8.6359 8.6359 9.5471 9.5471 10.5985 10.5985 11.0095 11.0095 11.0433 11.0433 11.1148 11.1148 11.6045 11.6045 11.6727 11.6727 12.1917 12.1917 12.3360 12.3360 13.1538 13.1538 13.2375 13.2375 13.3175 13.3175 13.3624 13.3624 13.8166 13.8166 k = 0.5000 0.0296 0.5705 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1408 7.1408 8.5361 8.5361 8.6539 8.6539 9.5748 9.5748 10.5816 10.5816 10.9978 10.9978 11.0407 11.0407 11.1339 11.1339 11.6101 11.6101 11.6800 11.6800 12.1713 12.1713 12.3314 12.3314 13.1425 13.1425 13.2216 13.2216 13.3367 13.3367 13.3798 13.3798 13.8107 13.8107 k = 0.5000 0.0370 0.5600 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1239 7.1239 8.4985 8.4985 8.6763 8.6763 9.6077 9.6077 10.5606 10.5606 10.9866 10.9866 11.0373 11.0373 11.1534 11.1534 11.6165 11.6165 11.6892 11.6892 12.1453 12.1453 12.3266 12.3266 13.1307 13.1307 13.2061 13.2061 13.3527 13.3527 13.3950 13.3950 13.8054 13.8054 k = 0.5000 0.0444 0.5496 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.1041 7.1041 8.4559 8.4559 8.7027 8.7027 9.6444 9.6444 10.5371 10.5371 10.9757 10.9757 11.0326 11.0326 11.1733 11.1733 11.6233 11.6233 11.7003 11.7003 12.1145 12.1145 12.3218 12.3218 13.1203 13.1203 13.1922 13.1922 13.3658 13.3658 13.4072 13.4072 13.8009 13.8009 k = 0.5000 0.0518 0.5391 ( 4022 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.0819 7.0819 8.4095 8.4095 8.7331 8.7331 9.6842 9.6842 10.5098 10.5098 10.9646 10.9646 11.0276 11.0276 11.1945 11.1945 11.6305 11.6305 11.7128 11.7128 12.0798 12.0798 12.3171 12.3171 13.1132 13.1132 13.1770 13.1770 13.3768 13.3768 13.4177 13.4177 13.7961 13.7961 k = 0.5000 0.0592 0.5286 ( 4016 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.0578 7.0578 8.3604 8.3604 8.7669 8.7669 9.7259 9.7259 10.4824 10.4824 10.9557 10.9557 11.0229 11.0229 11.2160 11.2160 11.6384 11.6384 11.7266 11.7266 12.0428 12.0428 12.3122 12.3122 13.1136 13.1136 13.1664 13.1664 13.3871 13.3871 13.4269 13.4269 13.7936 13.7936 k = 0.5000 0.0666 0.5182 ( 4016 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.0319 7.0319 8.3094 8.3094 8.8032 8.8032 9.7686 9.7686 10.4531 10.4531 10.9461 10.9461 11.0174 11.0174 11.2366 11.2366 11.6463 11.6463 11.7408 11.7408 12.0039 12.0039 12.3071 12.3071 13.1156 13.1156 13.1557 13.1557 13.3940 13.3940 13.4325 13.4325 13.7902 13.7902 k = 0.5000 0.0740 0.5077 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 7.0044 7.0044 8.2571 8.2571 8.8421 8.8421 9.8119 9.8119 10.4232 10.4232 10.9362 10.9362 11.0103 11.0103 11.2570 11.2570 11.6545 11.6545 11.7549 11.7549 11.9637 11.9637 12.3014 12.3014 13.1151 13.1151 13.1477 13.1477 13.3995 13.3995 13.4369 13.4369 13.7872 13.7872 k = 0.5000 0.0814 0.4972 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6341 -35.6341 -34.4271 -34.4271 -34.4264 -34.4264 6.9760 6.9760 8.2039 8.2039 8.8840 8.8840 9.8555 9.8555 10.3934 10.3934 10.9276 10.9276 11.0040 11.0040 11.2779 11.2779 11.6635 11.6635 11.7683 11.7683 11.9239 11.9239 12.2952 12.2952 13.1177 13.1177 13.1414 13.1414 13.4054 13.4054 13.4418 13.4418 13.7866 13.7866 k = 0.5000 0.0888 0.4868 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9469 6.9469 8.1506 8.1506 8.9264 8.9264 9.8984 9.8984 10.3633 10.3633 10.9186 10.9186 10.9956 10.9956 11.2972 11.2972 11.6722 11.6722 11.7794 11.7794 11.8854 11.8854 12.2882 12.2882 13.1219 13.1219 13.1369 13.1369 13.4067 13.4067 13.4438 13.4438 13.7845 13.7845 k = 0.5000 0.0962 0.4763 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.9174 6.9174 8.0974 8.0974 8.9708 8.9708 9.9402 9.9402 10.3340 10.3340 10.9094 10.9094 10.9879 10.9879 11.3156 11.3156 11.6813 11.6813 11.7848 11.7848 11.8529 11.8529 12.2804 12.2804 13.1291 13.1291 13.1345 13.1345 13.4079 13.4079 13.4461 13.4461 13.7834 13.7834 k = 0.5000 0.1036 0.4658 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8874 6.8874 8.0445 8.0445 9.0159 9.0159 9.9804 9.9804 10.3061 10.3061 10.9012 10.9012 10.9786 10.9786 11.3335 11.3335 11.6899 11.6899 11.7744 11.7744 11.8358 11.8358 12.2718 12.2718 13.1322 13.1322 13.1346 13.1346 13.4063 13.4063 13.4472 13.4472 13.7827 13.7827 k = 0.5000 0.1110 0.4554 ( 4018 PWs) bands (ev): -65.8843 -65.8843 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8577 6.8577 7.9921 7.9921 9.0617 9.0617 10.0173 10.0173 10.2802 10.2802 10.8924 10.8924 10.9691 10.9691 11.3491 11.3491 11.6962 11.6962 11.7492 11.7492 11.8362 11.8362 12.2623 12.2623 13.1315 13.1315 13.1448 13.1448 13.4027 13.4027 13.4475 13.4475 13.7800 13.7800 k = 0.5000 0.1184 0.4449 ( 4018 PWs) bands (ev): -65.8843 -65.8843 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8282 6.8282 7.9408 7.9408 9.1081 9.1081 10.0495 10.0495 10.2598 10.2598 10.8843 10.8843 10.9596 10.9596 11.3643 11.3643 11.6903 11.6903 11.7310 11.7310 11.8424 11.8424 12.2519 12.2519 13.1336 13.1336 13.1546 13.1546 13.3988 13.3988 13.4483 13.4483 13.7799 13.7799 k = 0.5000 0.1258 0.4344 ( 4016 PWs) bands (ev): -65.8840 -65.8840 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.7991 6.7991 7.8909 7.8909 9.1546 9.1546 10.0728 10.0728 10.2485 10.2485 10.8767 10.8767 10.9497 10.9497 11.3780 11.3780 11.6640 11.6640 11.7330 11.7330 11.8496 11.8496 12.2407 12.2407 13.1373 13.1373 13.1685 13.1685 13.3935 13.3935 13.4493 13.4493 13.7802 13.7802 k = 0.5000 0.1332 0.4240 ( 4018 PWs) bands (ev): -65.8843 -65.8843 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.7705 6.7705 7.8421 7.8421 9.2006 9.2006 10.0825 10.0825 10.2508 10.2508 10.8695 10.8695 10.9387 10.9387 11.3895 11.3895 11.6318 11.6318 11.7415 11.7415 11.8566 11.8566 12.2287 12.2287 13.1423 13.1423 13.1809 13.1809 13.3862 13.3862 13.4497 13.4497 13.7806 13.7806 k = 0.5000 0.1406 0.4135 ( 4018 PWs) bands (ev): -65.8843 -65.8843 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.7426 6.7426 7.7948 7.7948 9.2467 9.2467 10.0778 10.0778 10.2675 10.2675 10.8624 10.8624 10.9280 10.9280 11.3992 11.3992 11.5994 11.5994 11.7519 11.7519 11.8631 11.8631 12.2159 12.2159 13.1481 13.1481 13.1947 13.1947 13.3794 13.3794 13.4498 13.4498 13.7815 13.7815 k = 0.5000 0.1480 0.4030 ( 4008 PWs) bands (ev): -65.8831 -65.8831 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.7156 6.7156 7.7494 7.7494 9.2928 9.2928 10.0639 10.0639 10.2953 10.2953 10.8564 10.8564 10.9185 10.9185 11.4073 11.4073 11.5686 11.5686 11.7630 11.7630 11.8696 11.8696 12.2026 12.2026 13.1558 13.1558 13.2142 13.2142 13.3733 13.3733 13.4521 13.4521 13.7849 13.7849 k = 0.5000 0.1554 0.3925 ( 4012 PWs) bands (ev): -65.8836 -65.8836 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.6894 6.6894 7.7054 7.7054 9.3376 9.3376 10.0443 10.0443 10.3260 10.3260 10.8493 10.8493 10.9075 10.9075 11.4117 11.4117 11.5391 11.5391 11.7742 11.7742 11.8752 11.8752 12.1887 12.1887 13.1616 13.1616 13.2292 13.2292 13.3655 13.3655 13.4497 13.4497 13.7863 13.7863 k = 0.5000 0.1628 0.3821 ( 4002 PWs) bands (ev): -65.8824 -65.8824 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6642 6.6642 7.6634 7.6634 9.3826 9.3826 10.0244 10.0244 10.3602 10.3602 10.8453 10.8453 10.8979 10.8979 11.4137 11.4137 11.5120 11.5120 11.7856 11.7856 11.8810 11.8810 12.1745 12.1745 13.1712 13.1712 13.2473 13.2473 13.3602 13.3602 13.4499 13.4499 13.7905 13.7905 k = 0.5000 0.1702 0.3716 ( 4004 PWs) bands (ev): -65.8826 -65.8826 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6400 6.6400 7.6232 7.6232 9.4254 9.4254 10.0027 10.0027 10.3951 10.3951 10.8394 10.8394 10.8868 10.8868 11.4117 11.4117 11.4871 11.4871 11.7967 11.7967 11.8868 11.8868 12.1599 12.1599 13.1784 13.1784 13.2604 13.2604 13.3530 13.3530 13.4490 13.4490 13.7929 13.7929 k = 0.5000 0.1776 0.3611 ( 4004 PWs) bands (ev): -65.8826 -65.8826 -35.6340 -35.6340 -34.4271 -34.4271 -34.4260 -34.4260 6.6170 6.6170 7.5851 7.5851 9.4672 9.4672 9.9812 9.9812 10.4304 10.4304 10.8336 10.8336 10.8763 10.8763 11.4058 11.4058 11.4654 11.4654 11.8076 11.8076 11.8927 11.8927 12.1452 12.1452 13.1856 13.1856 13.2745 13.2745 13.3470 13.3470 13.4482 13.4482 13.7959 13.7959 k = 0.5000 0.1850 0.3507 ( 4002 PWs) bands (ev): -65.8824 -65.8824 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5953 6.5953 7.5491 7.5491 9.5071 9.5071 9.9607 9.9607 10.4655 10.4655 10.8292 10.8292 10.8664 10.8664 11.3957 11.3957 11.4473 11.4473 11.8181 11.8181 11.8989 11.8989 12.1306 12.1306 13.1932 13.1932 13.2880 13.2880 13.3425 13.3425 13.4482 13.4482 13.7994 13.7994 k = 0.5000 0.1925 0.3402 ( 4002 PWs) bands (ev): -65.8823 -65.8823 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5748 6.5748 7.5154 7.5154 9.5452 9.5452 9.9408 9.9408 10.5002 10.5002 10.8244 10.8244 10.8569 10.8569 11.3819 11.3819 11.4321 11.4321 11.8281 11.8281 11.9053 11.9053 12.1162 12.1162 13.1996 13.1996 13.2964 13.2964 13.3423 13.3423 13.4478 13.4478 13.8027 13.8027 k = 0.5000 0.1999 0.3297 ( 4008 PWs) bands (ev): -65.8831 -65.8831 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5557 6.5557 7.4837 7.4837 9.5813 9.5813 9.9218 9.9218 10.5340 10.5340 10.8191 10.8191 10.8458 10.8458 11.3658 11.3658 11.4182 11.4182 11.8376 11.8376 11.9119 11.9119 12.1022 12.1022 13.2048 13.2048 13.2976 13.2976 13.3448 13.3448 13.4463 13.4463 13.8053 13.8053 k = 0.5000 0.2073 0.3193 ( 4004 PWs) bands (ev): -65.8826 -65.8826 -35.6339 -35.6339 -34.4271 -34.4271 -34.4259 -34.4259 6.5379 6.5379 7.4546 7.4546 9.6161 9.6161 9.9044 9.9044 10.5677 10.5677 10.8150 10.8150 10.8384 10.8384 11.3494 11.3494 11.4050 11.4050 11.8464 11.8464 11.9186 11.9186 12.0889 12.0889 13.2102 13.2102 13.2973 13.2973 13.3554 13.3554 13.4465 13.4465 13.8100 13.8100 k = 0.5000 0.2147 0.3088 ( 4004 PWs) bands (ev): -65.8825 -65.8825 -35.6339 -35.6339 -34.4271 -34.4271 -34.4259 -34.4259 6.5216 6.5216 7.4278 7.4278 9.6479 9.6479 9.8882 9.8882 10.5999 10.5999 10.8111 10.8111 10.8309 10.8309 11.3332 11.3332 11.3913 11.3913 11.8544 11.8544 11.9254 11.9254 12.0764 12.0764 13.2144 13.2144 13.2929 13.2929 13.3674 13.3674 13.4468 13.4468 13.8136 13.8136 k = 0.5000 0.2221 0.2983 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.5067 6.5067 7.4030 7.4030 9.6764 9.6764 9.8724 9.8724 10.6299 10.6299 10.8070 10.8070 10.8232 10.8232 11.3175 11.3175 11.3768 11.3768 11.8615 11.8615 11.9320 11.9320 12.0648 12.0648 13.2153 13.2153 13.2862 13.2862 13.3760 13.3760 13.4448 13.4448 13.8140 13.8140 k = 0.5000 0.2295 0.2879 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4933 6.4933 7.3811 7.3811 9.7034 9.7034 9.8594 9.8594 10.6594 10.6594 10.8039 10.8039 10.8175 10.8175 11.3030 11.3030 11.3624 11.3624 11.8676 11.8676 11.9384 11.9384 12.0545 12.0545 13.2187 13.2187 13.2823 13.2823 13.3886 13.3886 13.4458 13.4458 13.8174 13.8174 k = 0.5000 0.2369 0.2774 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4814 6.4814 7.3616 7.3616 9.7263 9.7263 9.8481 9.8481 10.6869 10.6869 10.8020 10.8020 10.8130 10.8130 11.2895 11.2895 11.3482 11.3482 11.8727 11.8727 11.9443 11.9443 12.0455 12.0455 13.2212 13.2212 13.2771 13.2771 13.3981 13.3981 13.4461 13.4461 13.8216 13.8216 k = 0.5000 0.2443 0.2669 ( 4010 PWs) bands (ev): -65.8831 -65.8831 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4711 6.4711 7.3447 7.3447 9.7475 9.7475 9.8381 9.8381 10.7126 10.7126 10.7997 10.7997 10.8092 10.8092 11.2771 11.2771 11.3345 11.3345 11.8767 11.8767 11.9497 11.9497 12.0379 12.0379 13.2224 13.2224 13.2743 13.2743 13.4075 13.4075 13.4488 13.4488 13.8245 13.8245 k = 0.5000 0.2517 0.2565 ( 4014 PWs) bands (ev): -65.8836 -65.8836 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4623 6.4623 7.3303 7.3303 9.7642 9.7642 9.8297 9.8297 10.7351 10.7351 10.7972 10.7972 10.8057 10.8057 11.2658 11.2658 11.3219 11.3219 11.8798 11.8798 11.9545 11.9545 12.0318 12.0318 13.2221 13.2221 13.2705 13.2705 13.4126 13.4126 13.4495 13.4495 13.8270 13.8270 k = 0.5000 0.2591 0.2460 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4551 6.4551 7.3185 7.3185 9.7773 9.7773 9.8234 9.8234 10.7536 10.7536 10.7943 10.7943 10.8028 10.8028 11.2558 11.2558 11.3109 11.3109 11.8819 11.8819 11.9585 11.9585 12.0270 12.0270 13.2214 13.2214 13.2673 13.2673 13.4153 13.4153 13.4500 13.4500 13.8286 13.8286 k = 0.5000 0.2665 0.2355 ( 4022 PWs) bands (ev): -65.8845 -65.8845 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4495 6.4495 7.3094 7.3094 9.7867 9.7867 9.8195 9.8195 10.7672 10.7672 10.7930 10.7930 10.8026 10.8026 11.2473 11.2473 11.3019 11.3019 11.8833 11.8833 11.9617 11.9617 12.0235 12.0235 13.2204 13.2204 13.2649 13.2649 13.4198 13.4198 13.4521 13.4521 13.8296 13.8296 k = 0.5000 0.2739 0.2251 ( 4022 PWs) bands (ev): -65.8845 -65.8845 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4455 6.4455 7.3028 7.3028 9.7920 9.7920 9.8183 9.8183 10.7751 10.7751 10.7927 10.7927 10.8051 10.8051 11.2408 11.2408 11.2954 11.2954 11.8842 11.8842 11.9640 11.9640 12.0212 12.0212 13.2199 13.2199 13.2638 13.2638 13.4226 13.4226 13.4540 13.4540 13.8308 13.8308 k = 0.5000 0.2813 0.2146 ( 4022 PWs) bands (ev): -65.8845 -65.8845 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4431 6.4431 7.2989 7.2989 9.7942 9.7942 9.8188 9.8188 10.7783 10.7783 10.7927 10.7927 10.8083 10.8083 11.2366 11.2366 11.2914 11.2914 11.8846 11.8846 11.9654 11.9654 12.0199 12.0199 13.2195 13.2195 13.2631 13.2631 13.4242 13.4242 13.4552 13.4552 13.8316 13.8316 k = 0.5000 0.2887 0.2041 ( 4044 PWs) bands (ev): -65.8871 -65.8871 -35.6340 -35.6340 -34.4273 -34.4273 -34.4260 -34.4260 6.4422 6.4422 7.2972 7.2972 9.7926 9.7926 9.8171 9.8171 10.7760 10.7760 10.7891 10.7891 10.8063 10.8063 11.2351 11.2351 11.2900 11.2900 11.8847 11.8847 11.9658 11.9658 12.0194 12.0194 13.2142 13.2142 13.2578 13.2578 13.4203 13.4203 13.4514 13.4514 13.8256 13.8256 k = 0.5000 0.2887 0.2041 ( 4044 PWs) bands (ev): -65.8871 -65.8871 -35.6340 -35.6340 -34.4273 -34.4273 -34.4260 -34.4260 6.4422 6.4422 7.2972 7.2972 9.7926 9.7926 9.8171 9.8171 10.7760 10.7760 10.7891 10.7891 10.8063 10.8063 11.2351 11.2351 11.2900 11.2900 11.8847 11.8847 11.9658 11.9658 12.0194 12.0194 13.2142 13.2142 13.2578 13.2578 13.4203 13.4203 13.4514 13.4514 13.8256 13.8256 k = 0.4963 0.2866 0.2161 ( 4022 PWs) bands (ev): -65.8845 -65.8845 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4430 6.4430 7.2990 7.2990 9.7941 9.7941 9.8188 9.8188 10.7782 10.7782 10.7923 10.7923 10.8083 10.8083 11.2366 11.2366 11.2914 11.2914 11.8846 11.8846 11.9654 11.9654 12.0199 12.0199 13.2193 13.2193 13.2627 13.2627 13.4247 13.4247 13.4556 13.4556 13.8321 13.8321 k = 0.4926 0.2844 0.2281 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4454 6.4454 7.3029 7.3029 9.7922 9.7922 9.8186 9.8186 10.7755 10.7755 10.7926 10.7926 10.8055 10.8055 11.2407 11.2407 11.2953 11.2953 11.8842 11.8842 11.9640 11.9640 12.0212 12.0212 13.2203 13.2203 13.2640 13.2640 13.4231 13.4231 13.4545 13.4545 13.8320 13.8320 k = 0.4890 0.2823 0.2401 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4494 6.4494 7.3093 7.3093 9.7869 9.7869 9.8198 9.8198 10.7682 10.7682 10.7915 10.7915 10.8038 10.8038 11.2472 11.2472 11.3018 11.3018 11.8833 11.8833 11.9617 11.9617 12.0235 12.0235 13.2208 13.2208 13.2651 13.2651 13.4203 13.4203 13.4527 13.4527 13.8307 13.8307 k = 0.4853 0.2802 0.2522 ( 4020 PWs) bands (ev): -65.8843 -65.8843 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4549 6.4549 7.3184 7.3184 9.7772 9.7772 9.8234 9.8234 10.7553 10.7553 10.7887 10.7887 10.8070 10.8070 11.2555 11.2555 11.3106 11.3106 11.8820 11.8820 11.9586 11.9586 12.0269 12.0269 13.2210 13.2210 13.2668 13.2668 13.4158 13.4158 13.4506 13.4506 13.8292 13.8292 k = 0.4816 0.2781 0.2642 ( 4016 PWs) bands (ev): -65.8838 -65.8838 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4620 6.4620 7.3300 7.3300 9.7646 9.7646 9.8291 9.8291 10.7377 10.7377 10.7863 10.7863 10.8130 10.8130 11.2654 11.2654 11.3216 11.3216 11.8799 11.8799 11.9546 11.9546 12.0316 12.0316 13.2213 13.2213 13.2699 13.2699 13.4124 13.4124 13.4497 13.4497 13.8273 13.8273 k = 0.4779 0.2759 0.2762 ( 4010 PWs) bands (ev): -65.8831 -65.8831 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4707 6.4707 7.3442 7.3442 9.7477 9.7477 9.8384 9.8384 10.7166 10.7166 10.7846 10.7846 10.8208 10.8208 11.2764 11.2764 11.3342 11.3342 11.8770 11.8770 11.9499 11.9499 12.0376 12.0376 13.2230 13.2230 13.2738 13.2738 13.4065 13.4065 13.4491 13.4491 13.8255 13.8255 k = 0.4743 0.2738 0.2882 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4809 6.4809 7.3609 7.3609 9.7272 9.7272 9.8478 9.8478 10.6920 10.6920 10.7813 10.7813 10.8295 10.8295 11.2884 11.2884 11.3478 11.3478 11.8731 11.8731 11.9446 11.9446 12.0450 12.0450 13.2210 13.2210 13.2772 13.2772 13.3966 13.3966 13.4474 13.4474 13.8225 13.8225 k = 0.4706 0.2717 0.3002 ( 4012 PWs) bands (ev): -65.8834 -65.8834 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.4926 6.4926 7.3801 7.3801 9.7035 9.7035 9.8598 9.8598 10.6650 10.6650 10.7785 10.7785 10.8392 10.8392 11.3013 11.3013 11.3619 11.3619 11.8683 11.8683 11.9387 11.9387 12.0537 12.0537 13.2191 13.2191 13.2809 13.2809 13.3869 13.3869 13.4491 13.4491 13.8180 13.8180 k = 0.4669 0.2696 0.3122 ( 4010 PWs) bands (ev): -65.8832 -65.8832 -35.6339 -35.6339 -34.4272 -34.4272 -34.4259 -34.4259 6.5058 6.5058 7.4018 7.4018 9.6775 9.6775 9.8732 9.8732 10.6365 10.6365 10.7753 10.7753 10.8515 10.8515 11.3151 11.3151 11.3762 11.3762 11.8626 11.8626 11.9324 11.9324 12.0637 12.0637 13.2166 13.2166 13.2869 13.2869 13.3747 13.3747 13.4492 13.4492 13.8154 13.8154 k = 0.4632 0.2674 0.3242 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6339 -35.6339 -34.4272 -34.4272 -34.4260 -34.4260 6.5205 6.5205 7.4259 7.4259 9.6480 9.6480 9.8868 9.8868 10.6058 10.6058 10.7707 10.7707 10.8661 10.8661 11.3294 11.3294 11.3900 11.3900 11.8560 11.8560 11.9260 11.9260 12.0747 12.0747 13.2096 13.2096 13.2915 13.2915 13.3632 13.3632 13.4497 13.4497 13.8101 13.8101 k = 0.4596 0.2653 0.3362 ( 4012 PWs) bands (ev): -65.8835 -65.8835 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5366 6.5366 7.4523 7.4523 9.6163 9.6163 9.9038 9.9038 10.5743 10.5743 10.7675 10.7675 10.8818 10.8818 11.3443 11.3443 11.4032 11.4032 11.8486 11.8486 11.9197 11.9197 12.0866 12.0866 13.2056 13.2056 13.2968 13.2968 13.3504 13.3504 13.4517 13.4517 13.8064 13.8064 k = 0.4559 0.2632 0.3482 ( 4002 PWs) bands (ev): -65.8823 -65.8823 -35.6339 -35.6339 -34.4271 -34.4271 -34.4259 -34.4259 6.5542 6.5542 7.4812 7.4812 9.5828 9.5828 9.9228 9.9228 10.5422 10.5422 10.7658 10.7658 10.9007 10.9007 11.3597 11.3597 11.4159 11.4159 11.8405 11.8405 11.9140 11.9140 12.0992 12.0992 13.2014 13.2014 13.3002 13.3002 13.3427 13.3427 13.4582 13.4582 13.8031 13.8031 k = 0.4522 0.2611 0.3602 ( 4005 PWs) bands (ev): -65.8827 -65.8827 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5730 6.5730 7.5123 7.5123 9.5461 9.5461 9.9415 9.9415 10.5083 10.5083 10.7626 10.7626 10.9182 10.9182 11.3747 11.3747 11.4276 11.4276 11.8314 11.8314 11.9088 11.9088 12.1122 12.1122 13.1920 13.1920 13.2936 13.2936 13.3387 13.3387 13.4618 13.4618 13.7985 13.7985 k = 0.4485 0.2590 0.3722 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.5932 6.5932 7.5457 7.5457 9.5074 9.5074 9.9622 9.9622 10.4736 10.4736 10.7605 10.7605 10.9384 10.9384 11.3888 11.3888 11.4391 11.4391 11.8215 11.8215 11.9047 11.9047 12.1255 12.1255 13.1831 13.1831 13.2814 13.2814 13.3433 13.3433 13.4678 13.4678 13.7938 13.7938 k = 0.4449 0.2568 0.3842 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6339 -35.6339 -34.4271 -34.4271 -34.4260 -34.4260 6.6146 6.6146 7.5814 7.5814 9.4662 9.4662 9.9846 9.9846 10.4383 10.4383 10.7580 10.7580 10.9599 10.9599 11.4009 11.4009 11.4514 11.4514 11.8107 11.8107 11.9018 11.9018 12.1388 12.1388 13.1735 13.1735 13.2667 13.2667 13.3507 13.3507 13.4740 13.4740 13.7899 13.7899 k = 0.4412 0.2547 0.3962 ( 4003 PWs) bands (ev): -65.8825 -65.8825 -35.6340 -35.6340 -34.4271 -34.4271 -34.4260 -34.4260 6.6372 6.6372 7.6190 7.6190 9.4231 9.4231 10.0080 10.0080 10.4021 10.4021 10.7554 10.7554 10.9815 10.9815 11.4096 11.4096 11.4653 11.4653 11.7989 11.7989 11.9003 11.9003 12.1518 12.1518 13.1623 13.1623 13.2477 13.2477 13.3597 13.3597 13.4804 13.4804 13.7844 13.7844 k = 0.4375 0.2526 0.4082 ( 4001 PWs) bands (ev): -65.8822 -65.8822 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6609 6.6609 7.6588 7.6588 9.3785 9.3785 10.0333 10.0333 10.3656 10.3656 10.7529 10.7529 11.0043 11.0043 11.4149 11.4149 11.4813 11.4813 11.7863 11.7863 11.9002 11.9002 12.1646 12.1646 13.1518 13.1518 13.2304 13.2304 13.3705 13.3705 13.4880 13.4880 13.7791 13.7791 k = 0.4338 0.2505 0.4203 ( 3999 PWs) bands (ev): -65.8820 -65.8820 -35.6340 -35.6340 -34.4271 -34.4271 -34.4261 -34.4261 6.6857 6.6857 7.7004 7.7004 9.3322 9.3322 10.0596 10.0596 10.3282 10.3282 10.7509 10.7509 11.0294 11.0294 11.4167 11.4167 11.4990 11.4990 11.7730 11.7730 11.9016 11.9016 12.1769 12.1769 13.1396 13.1396 13.2131 13.2131 13.3824 13.3824 13.4959 13.4959 13.7733 13.7733 k = 0.4301 0.2483 0.4323 ( 3995 PWs) bands (ev): -65.8815 -65.8815 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7114 6.7114 7.7439 7.7439 9.2846 9.2846 10.0870 10.0870 10.2908 10.2908 10.7491 10.7491 11.0554 11.0554 11.4163 11.4163 11.5179 11.5179 11.7592 11.7592 11.9043 11.9043 12.1886 12.1886 13.1264 13.1264 13.1976 13.1976 13.3956 13.3956 13.5046 13.5046 13.7675 13.7675 k = 0.4265 0.2462 0.4443 ( 3999 PWs) bands (ev): -65.8820 -65.8820 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7379 6.7379 7.7890 7.7890 9.2345 9.2345 10.1150 10.1150 10.2530 10.2530 10.7471 10.7471 11.0804 11.0804 11.4135 11.4135 11.5372 11.5372 11.7452 11.7452 11.9079 11.9079 12.1994 12.1994 13.1115 13.1115 13.1780 13.1780 13.4073 13.4073 13.5130 13.5130 13.7602 13.7602 k = 0.4228 0.2441 0.4563 ( 3998 PWs) bands (ev): -65.8819 -65.8819 -35.6340 -35.6340 -34.4270 -34.4270 -34.4261 -34.4261 6.7651 6.7651 7.8357 7.8357 9.1834 9.1834 10.1439 10.1439 10.2155 10.2155 10.7473 10.7473 11.1045 11.1045 11.4099 11.4099 11.5564 11.5564 11.7317 11.7317 11.9122 11.9122 12.2095 12.2095 13.0961 13.0961 13.1616 13.1616 13.4201 13.4201 13.5250 13.5250 13.7529 13.7529 k = 0.4191 0.2420 0.4683 ( 4000 PWs) bands (ev): -65.8821 -65.8821 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.7929 6.7929 7.8840 7.8840 9.1310 9.1310 10.1694 10.1694 10.1826 10.1826 10.7464 10.7464 11.1270 11.1270 11.4063 11.4063 11.5742 11.5742 11.7192 11.7192 11.9169 11.9169 12.2188 12.2188 13.0798 13.0798 13.1459 13.1459 13.4326 13.4326 13.5352 13.5352 13.7462 13.7462 k = 0.4154 0.2399 0.4803 ( 4004 PWs) bands (ev): -65.8826 -65.8826 -35.6340 -35.6340 -34.4270 -34.4270 -34.4262 -34.4262 6.8210 6.8210 7.9332 7.9332 9.0776 9.0776 10.1394 10.1394 10.2057 10.2057 10.7449 10.7449 11.1495 11.1495 11.4025 11.4025 11.5889 11.5889 11.7095 11.7095 11.9220 11.9220 12.2271 12.2271 13.0625 13.0625 13.1312 13.1312 13.4463 13.4463 13.5444 13.5444 13.7377 13.7377 k = 0.4118 0.2377 0.4923 ( 4008 PWs) bands (ev): -65.8830 -65.8830 -35.6340 -35.6340 -34.4271 -34.4271 -34.4262 -34.4262 6.8493 6.8493 7.9831 7.9831 9.0234 9.0234 10.1028 10.1028 10.2373 10.2373 10.7447 10.7447 11.1695 11.1695 11.3995 11.3995 11.5981 11.5981 11.7055 11.7055 11.9271 11.9271 12.2347 12.2347 13.0457 13.0457 13.1169 13.1169 13.4601 13.4601 13.5550 13.5550 13.7267 13.7267 k = 0.4081 0.2356 0.5043 ( 4010 PWs) bands (ev): -65.8833 -65.8833 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.8776 6.8776 8.0340 8.0340 8.9685 8.9685 10.0671 10.0671 10.2698 10.2698 10.7436 10.7436 11.1871 11.1871 11.3994 11.3994 11.5988 11.5988 11.7094 11.7094 11.9324 11.9324 12.2416 12.2416 13.0288 13.0288 13.1052 13.1052 13.4738 13.4738 13.5641 13.5641 13.7194 13.7194 k = 0.4044 0.2335 0.5163 ( 4014 PWs) bands (ev): -65.8837 -65.8837 -35.6340 -35.6340 -34.4271 -34.4271 -34.4263 -34.4263 6.9056 6.9056 8.0848 8.0848 8.9134 8.9134 10.0324 10.0324 10.3024 10.3024 10.7443 10.7443 11.1990 11.1990 11.4030 11.4030 11.5919 11.5919 11.7210 11.7210 11.9374 11.9374 12.2479 12.2479 13.0101 13.0101 13.0956 13.0956 13.4869 13.4869 13.5754 13.5754 13.7080 13.7080 k = 0.4007 0.2314 0.5283 ( 4018 PWs) bands (ev): -65.8842 -65.8842 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9329 6.9329 8.1350 8.1350 8.8597 8.8597 9.9990 9.9990 10.3361 10.3361 10.7435 10.7435 11.2072 11.2072 11.4099 11.4099 11.5795 11.5795 11.7377 11.7377 11.9423 11.9423 12.2539 12.2539 12.9928 12.9928 13.0856 13.0856 13.5020 13.5020 13.5830 13.5830 13.6953 13.6953 k = 0.3971 0.2292 0.5403 ( 4022 PWs) bands (ev): -65.8847 -65.8847 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9592 6.9592 8.1837 8.1837 8.8075 8.8075 9.9675 9.9675 10.3692 10.3692 10.7448 10.7448 11.2104 11.2104 11.4194 11.4194 11.5645 11.5645 11.7571 11.7571 11.9470 11.9470 12.2601 12.2601 12.9731 12.9731 13.0771 13.0771 13.5154 13.5154 13.5935 13.5935 13.6848 13.6848 k = 0.3934 0.2271 0.5523 ( 4017 PWs) bands (ev): -65.8841 -65.8841 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 6.9844 6.9844 8.2292 8.2292 8.7591 8.7591 9.9382 9.9382 10.4030 10.4030 10.7479 10.7479 11.2102 11.2102 11.4325 11.4325 11.5485 11.5485 11.7778 11.7778 11.9519 11.9519 12.2667 12.2667 12.9551 12.9551 13.0762 13.0762 13.5285 13.5285 13.6061 13.6061 13.6739 13.6739 k = 0.3897 0.2250 0.5643 ( 4021 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4271 -34.4271 -34.4263 -34.4263 7.0073 7.0073 8.2685 8.2685 8.7172 8.7172 9.9109 9.9109 10.4366 10.4366 10.7493 10.7493 11.2057 11.2057 11.4454 11.4454 11.5314 11.5314 11.7990 11.7990 11.9563 11.9563 12.2742 12.2742 12.9370 12.9370 13.0718 13.0718 13.5399 13.5399 13.6140 13.6140 13.6619 13.6619 k = 0.3860 0.2229 0.5764 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0278 7.0278 8.2976 8.2976 8.6865 8.6865 9.8861 9.8861 10.4698 10.4698 10.7523 10.7523 11.1976 11.1976 11.4571 11.4571 11.5146 11.5146 11.8202 11.8202 11.9601 11.9601 12.2830 12.2830 12.9190 12.9190 13.0690 13.0690 13.5496 13.5496 13.6223 13.6223 13.6517 13.6517 k = 0.3824 0.2208 0.5884 ( 4025 PWs) bands (ev): -65.8851 -65.8851 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0451 7.0451 8.3113 8.3113 8.6732 8.6732 9.8642 9.8642 10.5028 10.5028 10.7548 10.7548 11.1897 11.1897 11.4676 11.4676 11.4984 11.4984 11.8411 11.8411 11.9644 11.9644 12.2938 12.2938 12.9020 12.9020 13.0699 13.0699 13.5585 13.5585 13.6256 13.6256 13.6437 13.6437 k = 0.3787 0.2186 0.6004 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0580 7.0580 8.3069 8.3069 8.6798 8.6798 9.8452 9.8452 10.5344 10.5344 10.7573 10.7573 11.1793 11.1793 11.4721 11.4721 11.4861 11.4861 11.8613 11.8613 11.9683 11.9683 12.3067 12.3067 12.8845 12.8845 13.0698 13.0698 13.5614 13.5614 13.6228 13.6228 13.6403 13.6403 k = 0.3750 0.2165 0.6124 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.6250-0.0722 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4264 -34.4264 7.0660 7.0660 8.2876 8.2876 8.7048 8.7048 9.8295 9.8295 10.5651 10.5651 10.7606 10.7606 11.1693 11.1693 11.4628 11.4628 11.4865 11.4865 11.8806 11.8806 11.9721 11.9721 12.3224 12.3224 12.8678 12.8678 13.0742 13.0742 13.5599 13.5599 13.6208 13.6208 13.6399 13.6399 k = 0.6188-0.0830 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0727 7.0727 8.2466 8.2466 8.7607 8.7607 9.8060 9.8060 10.6163 10.6163 10.7668 10.7668 11.1514 11.1514 11.4393 11.4393 11.4937 11.4937 11.9121 11.9121 11.9796 11.9796 12.3519 12.3519 12.8390 12.8390 13.0827 13.0827 13.5502 13.5502 13.6217 13.6217 13.6390 13.6390 k = 0.6125-0.0938 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0757 7.0757 8.2076 8.2076 8.8188 8.8188 9.7824 9.7824 10.6685 10.6685 10.7721 10.7721 11.1336 11.1336 11.4149 11.4149 11.5024 11.5024 11.9424 11.9424 11.9899 11.9899 12.3822 12.3822 12.8094 12.8094 13.0949 13.0949 13.5375 13.5375 13.6229 13.6229 13.6377 13.6377 k = 0.6062-0.1046 0.4082 ( 4031 PWs) bands (ev): -65.8858 -65.8858 -35.6341 -35.6341 -34.4273 -34.4273 -34.4263 -34.4263 7.0754 7.0754 8.1705 8.1705 8.8773 8.8773 9.7605 9.7605 10.7218 10.7218 10.7797 10.7797 11.1146 11.1146 11.3910 11.3910 11.5097 11.5097 11.9704 11.9704 12.0045 12.0045 12.4130 12.4130 12.7783 12.7783 13.1014 13.1014 13.5290 13.5290 13.6243 13.6243 13.6395 13.6395 k = 0.6000-0.1155 0.4082 ( 4027 PWs) bands (ev): -65.8853 -65.8853 -35.6341 -35.6341 -34.4273 -34.4273 -34.4263 -34.4263 7.0729 7.0729 8.1354 8.1354 8.9364 8.9364 9.7394 9.7394 10.7746 10.7746 10.7889 10.7889 11.0962 11.0962 11.3675 11.3675 11.5169 11.5169 11.9951 11.9951 12.0253 12.0253 12.4439 12.4439 12.7459 12.7459 13.1127 13.1127 13.5208 13.5208 13.6245 13.6245 13.6421 13.6421 k = 0.5938-0.1263 0.4082 ( 4019 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0685 7.0685 8.1024 8.1024 8.9949 8.9949 9.7192 9.7192 10.7950 10.7950 10.8320 10.8320 11.0803 11.0803 11.3444 11.3444 11.5230 11.5230 12.0175 12.0175 12.0510 12.0510 12.4750 12.4750 12.7119 12.7119 13.1230 13.1230 13.5159 13.5159 13.6243 13.6243 13.6467 13.6467 k = 0.5875-0.1371 0.4082 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4272 -34.4272 -34.4263 -34.4263 7.0626 7.0626 8.0713 8.0713 9.0509 9.0509 9.7002 9.7002 10.8052 10.8052 10.8868 10.8868 11.0649 11.0649 11.3219 11.3219 11.5273 11.5273 12.0398 12.0398 12.0787 12.0787 12.5055 12.5055 12.6756 12.6756 13.1272 13.1272 13.5125 13.5125 13.6249 13.6249 13.6508 13.6508 k = 0.5813-0.1479 0.4082 ( 4019 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4273 -34.4273 -34.4263 -34.4263 7.0557 7.0557 8.0422 8.0422 9.1036 9.1036 9.6822 9.6822 10.8145 10.8145 10.9427 10.9427 11.0468 11.0468 11.2998 11.2998 11.5302 11.5302 12.0634 12.0634 12.1070 12.1070 12.5345 12.5345 12.6389 12.6389 13.1294 13.1294 13.5088 13.5088 13.6231 13.6231 13.6504 13.6504 k = 0.5750-0.1588 0.4082 ( 4021 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0482 7.0482 8.0152 8.0152 9.1540 9.1540 9.6656 9.6656 10.8242 10.8242 10.9986 10.9986 11.0300 11.0300 11.2782 11.2782 11.5323 11.5323 12.0894 12.0894 12.1350 12.1350 12.5598 12.5598 12.6039 12.6039 13.1332 13.1332 13.5053 13.5053 13.6203 13.6203 13.6479 13.6479 k = 0.5687-0.1696 0.4082 ( 4017 PWs) bands (ev): -65.8841 -65.8841 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0405 7.0405 7.9903 7.9903 9.2012 9.2012 9.6505 9.6505 10.8344 10.8344 11.0138 11.0138 11.0571 11.0571 11.2573 11.2573 11.5333 11.5333 12.1173 12.1173 12.1623 12.1623 12.5552 12.5552 12.5998 12.5998 13.1368 13.1368 13.5050 13.5050 13.6127 13.6127 13.6416 13.6416 k = 0.5625-0.1804 0.4082 ( 4013 PWs) bands (ev): -65.8837 -65.8837 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0328 7.0328 7.9675 7.9675 9.2447 9.2447 9.6370 9.6370 10.8441 10.8441 11.0014 11.0014 11.1135 11.1135 11.2372 11.2372 11.5334 11.5334 12.1462 12.1462 12.1887 12.1887 12.5198 12.5198 12.6230 12.6230 13.1401 13.1401 13.5056 13.5056 13.5824 13.5824 13.6308 13.6308 k = 0.5563-0.1912 0.4082 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0253 7.0253 7.9468 7.9468 9.2839 9.2839 9.6253 9.6253 10.8543 10.8543 10.9865 10.9865 11.1671 11.1671 11.2197 11.2197 11.5329 11.5329 12.1753 12.1753 12.2138 12.2138 12.4785 12.4785 12.6472 12.6472 13.1426 13.1426 13.5047 13.5047 13.5359 13.5359 13.6250 13.6250 k = 0.5500-0.2021 0.4082 ( 4005 PWs) bands (ev): -65.8827 -65.8827 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 7.0185 7.0185 7.9283 7.9283 9.3187 9.3187 9.6157 9.6157 10.8673 10.8673 10.9762 10.9762 11.1920 11.1920 11.2320 11.2320 11.5318 11.5318 12.2030 12.2030 12.2378 12.2378 12.4389 12.4389 12.6702 12.6702 13.1453 13.1453 13.4808 13.4808 13.5159 13.5159 13.6273 13.6273 k = 0.5437-0.2129 0.4082 ( 4015 PWs) bands (ev): -65.8839 -65.8839 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0117 7.0117 7.9119 7.9119 9.3473 9.3473 9.6077 9.6077 10.8777 10.8777 10.9639 10.9639 11.1774 11.1774 11.2813 11.2813 11.5302 11.5302 12.2257 12.2257 12.2601 12.2601 12.3959 12.3959 12.6913 12.6913 13.1438 13.1438 13.4367 13.4367 13.5126 13.5126 13.6248 13.6248 k = 0.5375-0.2237 0.4082 ( 4019 PWs) bands (ev): -65.8844 -65.8844 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0060 7.0060 7.8977 7.8977 9.3717 9.3717 9.6019 9.6019 10.8882 10.8882 10.9535 10.9535 11.1612 11.1612 11.3317 11.3317 11.5286 11.5286 12.2372 12.2372 12.2816 12.2816 12.3617 12.3617 12.7103 12.7103 13.1435 13.1435 13.3964 13.3964 13.5158 13.5158 13.6229 13.6229 k = 0.5312-0.2345 0.4082 ( 4020 PWs) bands (ev): -65.8846 -65.8846 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 7.0007 7.0007 7.8857 7.8857 9.3910 9.3910 9.5981 9.5981 10.8982 10.8982 10.9456 10.9456 11.1459 11.1459 11.3807 11.3807 11.5271 11.5271 12.2318 12.2318 12.3025 12.3025 12.3474 12.3474 12.7269 12.7269 13.1427 13.1427 13.3613 13.3613 13.5167 13.5167 13.6214 13.6214 k = 0.5250-0.2454 0.4082 ( 4006 PWs) bands (ev): -65.8829 -65.8829 -35.6341 -35.6341 -34.4273 -34.4273 -34.4262 -34.4262 6.9971 6.9971 7.8758 7.8758 9.4079 9.4079 9.5963 9.5963 10.9099 10.9099 10.9402 10.9402 11.1325 11.1325 11.4256 11.4256 11.5258 11.5258 12.2110 12.2110 12.3210 12.3210 12.3483 12.3483 12.7409 12.7409 13.1464 13.1464 13.3319 13.3319 13.5270 13.5270 13.6227 13.6227 k = 0.5188-0.2562 0.4082 ( 4002 PWs) bands (ev): -65.8824 -65.8824 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 6.9936 6.9936 7.8681 7.8681 9.4192 9.4192 9.5955 9.5955 10.9181 10.9181 10.9373 10.9373 11.1208 11.1208 11.4642 11.4642 11.5248 11.5248 12.1855 12.1855 12.3351 12.3351 12.3564 12.3564 12.7520 12.7520 13.1469 13.1469 13.3086 13.3086 13.5282 13.5282 13.6228 13.6228 k = 0.5125-0.2670 0.4082 ( 4000 PWs) bands (ev): -65.8822 -65.8822 -35.6341 -35.6341 -34.4273 -34.4273 -34.4261 -34.4261 6.9912 6.9912 7.8626 7.8626 9.4271 9.4271 9.5955 9.5955 10.9234 10.9234 10.9350 10.9350 11.1117 11.1117 11.4939 11.4939 11.5248 11.5248 12.1619 12.1619 12.3447 12.3447 12.3653 12.3653 12.7601 12.7601 13.1482 13.1482 13.2917 13.2917 13.5298 13.5298 13.6215 13.6215 k = 0.5062-0.2778 0.4082 ( 3996 PWs) bands (ev): -65.8817 -65.8817 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.9901 6.9901 7.8593 7.8593 9.4313 9.4313 9.5957 9.5957 10.9258 10.9258 10.9355 10.9355 11.1059 11.1059 11.5108 11.5108 11.5271 11.5271 12.1459 12.1459 12.3504 12.3504 12.3716 12.3716 12.7650 12.7650 13.1482 13.1482 13.2814 13.2814 13.5354 13.5354 13.6212 13.6212 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -65.8802 -65.8802 -35.6340 -35.6340 -34.4272 -34.4272 -34.4261 -34.4261 6.9897 6.9897 7.8582 7.8582 9.4346 9.4346 9.5960 9.5960 10.9279 10.9279 10.9377 10.9377 11.1040 11.1040 11.5148 11.5148 11.5297 11.5297 12.1441 12.1441 12.3522 12.3522 12.3738 12.3738 12.7666 12.7666 13.1521 13.1521 13.2780 13.2780 13.5379 13.5379 13.6239 13.6239 Writing output data file MnAlFe2.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 165.66s CPU 169.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 165.66s CPU 169.36s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 365 calls) cegterg : 150.26s CPU 152.14s WALL ( 579 calls) Called by sum_band: Called by *egterg: h_psi : 96.89s CPU 97.96s WALL ( 9776 calls) s_psi : 4.11s CPU 4.39s WALL ( 9776 calls) g_psi : 0.27s CPU 0.23s WALL ( 8832 calls) cdiaghg : 47.40s CPU 48.47s WALL ( 9197 calls) cegterg:over : 4.85s CPU 4.77s WALL ( 8832 calls) cegterg:upda : 4.07s CPU 4.11s WALL ( 8832 calls) cegterg:last : 2.33s CPU 2.28s WALL ( 1503 calls) cdiaghg:chol : 2.55s CPU 2.69s WALL ( 9197 calls) cdiaghg:inve : 1.54s CPU 1.53s WALL ( 9197 calls) cdiaghg:para : 2.62s CPU 2.76s WALL ( 18394 calls) Called by h_psi: h_psi:vloc : 85.18s CPU 86.42s WALL ( 9776 calls) h_psi:vnl : 11.52s CPU 11.34s WALL ( 9776 calls) add_vuspsi : 6.24s CPU 5.95s WALL ( 9776 calls) General routines calbec : 5.25s CPU 5.36s WALL ( 9776 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 80.97s CPU 82.07s WALL ( 804200 calls) davcio : 0.20s CPU 1.39s WALL ( 730 calls) Parallel routines fft_scatter : 26.26s CPU 26.72s WALL ( 804215 calls) PWSCF : 3m 0.44s CPU 3m16.56s WALL This run was terminated on: 19:29:25 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=