Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:30:56 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: ./AlN.save/ 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 17 9 3 278 106 20 Max 18 10 4 282 121 23 Sum 613 349 109 10081 4111 749 bravais-lattice index = 14 lattice parameter (alat) = 5.2862 a.u. unit-cell volume = 104.4493 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.286158 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 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 PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) N 5.00 14.00670 N( 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= 526 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 2) = ( 0.0062500 -0.0036084 0.0051031), wk = 0.0019011 k( 3) = ( 0.0125000 -0.0072169 0.0102062), wk = 0.0019011 k( 4) = ( 0.0187500 -0.0108253 0.0153093), wk = 0.0019011 k( 5) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0019011 k( 6) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0019011 k( 7) = ( 0.0375000 -0.0216506 0.0306186), wk = 0.0019011 k( 8) = ( 0.0437500 -0.0252591 0.0357217), wk = 0.0019011 k( 9) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0019011 k( 10) = ( 0.0562500 -0.0324760 0.0459279), wk = 0.0019011 k( 11) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0019011 k( 12) = ( 0.0687500 -0.0396928 0.0561341), wk = 0.0019011 k( 13) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0019011 k( 14) = ( 0.0812500 -0.0469097 0.0663403), wk = 0.0019011 k( 15) = ( 0.0875000 -0.0505181 0.0714435), wk = 0.0019011 k( 16) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0019011 k( 17) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0019011 k( 18) = ( 0.1062500 -0.0613435 0.0867528), wk = 0.0019011 k( 19) = ( 0.1125000 -0.0649519 0.0918559), wk = 0.0019011 k( 20) = ( 0.1187500 -0.0685603 0.0969590), wk = 0.0019011 k( 21) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0019011 k( 22) = ( 0.1312500 -0.0757772 0.1071652), wk = 0.0019011 k( 23) = ( 0.1375000 -0.0793857 0.1122683), wk = 0.0019011 k( 24) = ( 0.1437500 -0.0829941 0.1173714), wk = 0.0019011 k( 25) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0019011 k( 26) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0019011 k( 27) = ( 0.1625000 -0.0938194 0.1326807), wk = 0.0019011 k( 28) = ( 0.1687500 -0.0974279 0.1377838), wk = 0.0019011 k( 29) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0019011 k( 30) = ( 0.1812500 -0.1046447 0.1479900), wk = 0.0019011 k( 31) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0019011 k( 32) = ( 0.1937500 -0.1118616 0.1581962), wk = 0.0019011 k( 33) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0019011 k( 34) = ( 0.2062500 -0.1190785 0.1684024), wk = 0.0019011 k( 35) = ( 0.2125000 -0.1226869 0.1735055), wk = 0.0019011 k( 36) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0019011 k( 37) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0019011 k( 38) = ( 0.2312500 -0.1335122 0.1888148), wk = 0.0019011 k( 39) = ( 0.2375000 -0.1371207 0.1939179), wk = 0.0019011 k( 40) = ( 0.2437500 -0.1407291 0.1990210), wk = 0.0019011 k( 41) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0019011 k( 42) = ( 0.2562500 -0.1479460 0.2092272), wk = 0.0019011 k( 43) = ( 0.2625000 -0.1515544 0.2143304), wk = 0.0019011 k( 44) = ( 0.2687500 -0.1551629 0.2194335), wk = 0.0019011 k( 45) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0019011 k( 46) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0019011 k( 47) = ( 0.2875000 -0.1659882 0.2347428), wk = 0.0019011 k( 48) = ( 0.2937500 -0.1695966 0.2398459), wk = 0.0019011 k( 49) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0019011 k( 50) = ( 0.3062500 -0.1768135 0.2500521), wk = 0.0019011 k( 51) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0019011 k( 52) = ( 0.3187500 -0.1840304 0.2602583), wk = 0.0019011 k( 53) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0019011 k( 54) = ( 0.3312500 -0.1912473 0.2704645), wk = 0.0019011 k( 55) = ( 0.3375000 -0.1948557 0.2755676), wk = 0.0019011 k( 56) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0019011 k( 57) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0019011 k( 58) = ( 0.3562500 -0.2056810 0.2908769), wk = 0.0019011 k( 59) = ( 0.3625000 -0.2092895 0.2959800), wk = 0.0019011 k( 60) = ( 0.3687500 -0.2128979 0.3010831), wk = 0.0019011 k( 61) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0019011 k( 62) = ( 0.3812500 -0.2201148 0.3112893), wk = 0.0019011 k( 63) = ( 0.3875000 -0.2237232 0.3163924), wk = 0.0019011 k( 64) = ( 0.3937500 -0.2273317 0.3214955), wk = 0.0019011 k( 65) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0019011 k( 66) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0019011 k( 67) = ( 0.4125000 -0.2381570 0.3368048), wk = 0.0019011 k( 68) = ( 0.4187500 -0.2417654 0.3419079), wk = 0.0019011 k( 69) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0019011 k( 70) = ( 0.4312500 -0.2489823 0.3521142), wk = 0.0019011 k( 71) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0019011 k( 72) = ( 0.4437500 -0.2561992 0.3623204), wk = 0.0019011 k( 73) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0019011 k( 74) = ( 0.4562500 -0.2634161 0.3725266), wk = 0.0019011 k( 75) = ( 0.4625000 -0.2670245 0.3776297), wk = 0.0019011 k( 76) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0019011 k( 77) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0019011 k( 78) = ( 0.4812500 -0.2778498 0.3929390), wk = 0.0019011 k( 79) = ( 0.4875000 -0.2814583 0.3980421), wk = 0.0019011 k( 80) = ( 0.4937500 -0.2850667 0.4031452), wk = 0.0019011 k( 81) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019011 k( 82) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019011 k( 83) = ( 0.5000000 -0.2814583 0.4133514), wk = 0.0019011 k( 84) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0019011 k( 85) = ( 0.5000000 -0.2670245 0.4235576), wk = 0.0019011 k( 86) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0019011 k( 87) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0019011 k( 88) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0019011 k( 89) = ( 0.5000000 -0.2381570 0.4439700), wk = 0.0019011 k( 90) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0019011 k( 91) = ( 0.5000000 -0.2237232 0.4541762), wk = 0.0019011 k( 92) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0019011 k( 93) = ( 0.5000000 -0.2092895 0.4643824), wk = 0.0019011 k( 94) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0019011 k( 95) = ( 0.5000000 -0.1948557 0.4745886), wk = 0.0019011 k( 96) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0019011 k( 97) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0019011 k( 98) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0019011 k( 99) = ( 0.5000000 -0.1659882 0.4950011), wk = 0.0019011 k( 100) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0019011 k( 101) = ( 0.5000000 -0.1515544 0.5052073), wk = 0.0019011 k( 102) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0019011 k( 103) = ( 0.5000000 -0.1371207 0.5154135), wk = 0.0019011 k( 104) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0019011 k( 105) = ( 0.5000000 -0.1226869 0.5256197), wk = 0.0019011 k( 106) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0019011 k( 107) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0019011 k( 108) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0019011 k( 109) = ( 0.5000000 -0.0938194 0.5460321), wk = 0.0019011 k( 110) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0019011 k( 111) = ( 0.5000000 -0.0793857 0.5562383), wk = 0.0019011 k( 112) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0019011 k( 113) = ( 0.5000000 -0.0649519 0.5664445), wk = 0.0019011 k( 114) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0019011 k( 115) = ( 0.5000000 -0.0505181 0.5766507), wk = 0.0019011 k( 116) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0019011 k( 117) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0019011 k( 118) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0019011 k( 119) = ( 0.5000000 -0.0216506 0.5970631), wk = 0.0019011 k( 120) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0019011 k( 121) = ( 0.5000000 -0.0072169 0.6072693), wk = 0.0019011 k( 122) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019011 k( 123) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019011 k( 124) = ( 0.4956897 0.0074657 0.6123724), wk = 0.0019011 k( 125) = ( 0.4913793 0.0149315 0.6123724), wk = 0.0019011 k( 126) = ( 0.4870690 0.0223972 0.6123724), wk = 0.0019011 k( 127) = ( 0.4827586 0.0298629 0.6123724), wk = 0.0019011 k( 128) = ( 0.4784483 0.0373287 0.6123724), wk = 0.0019011 k( 129) = ( 0.4741379 0.0447944 0.6123724), wk = 0.0019011 k( 130) = ( 0.4698276 0.0522601 0.6123724), wk = 0.0019011 k( 131) = ( 0.4655172 0.0597259 0.6123724), wk = 0.0019011 k( 132) = ( 0.4612069 0.0671916 0.6123724), wk = 0.0019011 k( 133) = ( 0.4568966 0.0746574 0.6123724), wk = 0.0019011 k( 134) = ( 0.4525862 0.0821231 0.6123724), wk = 0.0019011 k( 135) = ( 0.4482759 0.0895888 0.6123724), wk = 0.0019011 k( 136) = ( 0.4439655 0.0970546 0.6123724), wk = 0.0019011 k( 137) = ( 0.4396552 0.1045203 0.6123724), wk = 0.0019011 k( 138) = ( 0.4353448 0.1119860 0.6123724), wk = 0.0019011 k( 139) = ( 0.4310345 0.1194518 0.6123724), wk = 0.0019011 k( 140) = ( 0.4267241 0.1269175 0.6123724), wk = 0.0019011 k( 141) = ( 0.4224138 0.1343833 0.6123724), wk = 0.0019011 k( 142) = ( 0.4181034 0.1418490 0.6123724), wk = 0.0019011 k( 143) = ( 0.4137931 0.1493147 0.6123724), wk = 0.0019011 k( 144) = ( 0.4094828 0.1567805 0.6123724), wk = 0.0019011 k( 145) = ( 0.4051724 0.1642462 0.6123724), wk = 0.0019011 k( 146) = ( 0.4008621 0.1717119 0.6123724), wk = 0.0019011 k( 147) = ( 0.3965517 0.1791777 0.6123724), wk = 0.0019011 k( 148) = ( 0.3922414 0.1866434 0.6123724), wk = 0.0019011 k( 149) = ( 0.3879310 0.1941091 0.6123724), wk = 0.0019011 k( 150) = ( 0.3836207 0.2015749 0.6123724), wk = 0.0019011 k( 151) = ( 0.3793103 0.2090406 0.6123724), wk = 0.0019011 k( 152) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019011 k( 153) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019011 k( 154) = ( 0.3705882 0.2139592 0.6051680), wk = 0.0019011 k( 155) = ( 0.3661765 0.2114121 0.5979637), wk = 0.0019011 k( 156) = ( 0.3617647 0.2088650 0.5907593), wk = 0.0019011 k( 157) = ( 0.3573529 0.2063178 0.5835549), wk = 0.0019011 k( 158) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0019011 k( 159) = ( 0.3485294 0.2012235 0.5691461), wk = 0.0019011 k( 160) = ( 0.3441176 0.1986764 0.5619418), wk = 0.0019011 k( 161) = ( 0.3397059 0.1961293 0.5547374), wk = 0.0019011 k( 162) = ( 0.3352941 0.1935822 0.5475330), wk = 0.0019011 k( 163) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0019011 k( 164) = ( 0.3264706 0.1884879 0.5331242), wk = 0.0019011 k( 165) = ( 0.3220588 0.1859407 0.5259199), wk = 0.0019011 k( 166) = ( 0.3176471 0.1833936 0.5187155), wk = 0.0019011 k( 167) = ( 0.3132353 0.1808465 0.5115111), wk = 0.0019011 k( 168) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0019011 k( 169) = ( 0.3044118 0.1757522 0.4971023), wk = 0.0019011 k( 170) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0019011 k( 171) = ( 0.2955882 0.1706579 0.4826936), wk = 0.0019011 k( 172) = ( 0.2911765 0.1681108 0.4754892), wk = 0.0019011 k( 173) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0019011 k( 174) = ( 0.2823529 0.1630165 0.4610804), wk = 0.0019011 k( 175) = ( 0.2779412 0.1604694 0.4538760), wk = 0.0019011 k( 176) = ( 0.2735294 0.1579223 0.4466717), wk = 0.0019011 k( 177) = ( 0.2691176 0.1553751 0.4394673), wk = 0.0019011 k( 178) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0019011 k( 179) = ( 0.2602941 0.1502809 0.4250585), wk = 0.0019011 k( 180) = ( 0.2558823 0.1477337 0.4178541), wk = 0.0019011 k( 181) = ( 0.2514706 0.1451866 0.4106498), wk = 0.0019011 k( 182) = ( 0.2470588 0.1426395 0.4034454), wk = 0.0019011 k( 183) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0019011 k( 184) = ( 0.2382353 0.1375452 0.3890366), wk = 0.0019011 k( 185) = ( 0.2338235 0.1349981 0.3818322), wk = 0.0019011 k( 186) = ( 0.2294118 0.1324509 0.3746278), wk = 0.0019011 k( 187) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0019011 k( 188) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0019011 k( 189) = ( 0.2161765 0.1248095 0.3530147), wk = 0.0019011 k( 190) = ( 0.2117647 0.1222624 0.3458103), wk = 0.0019011 k( 191) = ( 0.2073529 0.1197153 0.3386059), wk = 0.0019011 k( 192) = ( 0.2029412 0.1171681 0.3314015), wk = 0.0019011 k( 193) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0019011 k( 194) = ( 0.1941177 0.1120739 0.3169928), wk = 0.0019011 k( 195) = ( 0.1897059 0.1095267 0.3097884), wk = 0.0019011 k( 196) = ( 0.1852941 0.1069796 0.3025840), wk = 0.0019011 k( 197) = ( 0.1808823 0.1044325 0.2953797), wk = 0.0019011 k( 198) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0019011 k( 199) = ( 0.1720588 0.0993382 0.2809709), wk = 0.0019011 k( 200) = ( 0.1676471 0.0967911 0.2737665), wk = 0.0019011 k( 201) = ( 0.1632353 0.0942439 0.2665621), wk = 0.0019011 k( 202) = ( 0.1588235 0.0916968 0.2593577), wk = 0.0019011 k( 203) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0019011 k( 204) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0019011 k( 205) = ( 0.1455882 0.0840554 0.2377446), wk = 0.0019011 k( 206) = ( 0.1411765 0.0815083 0.2305402), wk = 0.0019011 k( 207) = ( 0.1367647 0.0789611 0.2233358), wk = 0.0019011 k( 208) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0019011 k( 209) = ( 0.1279412 0.0738669 0.2089271), wk = 0.0019011 k( 210) = ( 0.1235294 0.0713197 0.2017227), wk = 0.0019011 k( 211) = ( 0.1191177 0.0687726 0.1945183), wk = 0.0019011 k( 212) = ( 0.1147059 0.0662255 0.1873139), wk = 0.0019011 k( 213) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0019011 k( 214) = ( 0.1058824 0.0611312 0.1729052), wk = 0.0019011 k( 215) = ( 0.1014706 0.0585841 0.1657008), wk = 0.0019011 k( 216) = ( 0.0970588 0.0560369 0.1584964), wk = 0.0019011 k( 217) = ( 0.0926471 0.0534898 0.1512920), wk = 0.0019011 k( 218) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0019011 k( 219) = ( 0.0838235 0.0483955 0.1368833), wk = 0.0019011 k( 220) = ( 0.0794118 0.0458484 0.1296789), wk = 0.0019011 k( 221) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0019011 k( 222) = ( 0.0705882 0.0407541 0.1152701), wk = 0.0019011 k( 223) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0019011 k( 224) = ( 0.0617647 0.0356599 0.1008613), wk = 0.0019011 k( 225) = ( 0.0573529 0.0331127 0.0936570), wk = 0.0019011 k( 226) = ( 0.0529412 0.0305656 0.0864526), wk = 0.0019011 k( 227) = ( 0.0485294 0.0280185 0.0792482), wk = 0.0019011 k( 228) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0019011 k( 229) = ( 0.0397059 0.0229242 0.0648394), wk = 0.0019011 k( 230) = ( 0.0352941 0.0203771 0.0576351), wk = 0.0019011 k( 231) = ( 0.0308823 0.0178299 0.0504307), wk = 0.0019011 k( 232) = ( 0.0264706 0.0152828 0.0432263), wk = 0.0019011 k( 233) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0019011 k( 234) = ( 0.0176471 0.0101885 0.0288175), wk = 0.0019011 k( 235) = ( 0.0132353 0.0076414 0.0216132), wk = 0.0019011 k( 236) = ( 0.0088235 0.0050943 0.0144088), wk = 0.0019011 k( 237) = ( 0.0044118 0.0025471 0.0072044), wk = 0.0019011 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 240) = ( 0.0072464 0.0041837 0.0029583), wk = 0.0019011 k( 241) = ( 0.0144928 0.0083674 0.0059166), wk = 0.0019011 k( 242) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0019011 k( 243) = ( 0.0289855 0.0167348 0.0118333), wk = 0.0019011 k( 244) = ( 0.0362319 0.0209185 0.0147916), wk = 0.0019011 k( 245) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0019011 k( 246) = ( 0.0507246 0.0292859 0.0207082), wk = 0.0019011 k( 247) = ( 0.0579710 0.0334696 0.0236666), wk = 0.0019011 k( 248) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0019011 k( 249) = ( 0.0724638 0.0418370 0.0295832), wk = 0.0019011 k( 250) = ( 0.0797101 0.0460207 0.0325415), wk = 0.0019011 k( 251) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0019011 k( 252) = ( 0.0942029 0.0543881 0.0384582), wk = 0.0019011 k( 253) = ( 0.1014493 0.0585718 0.0414165), wk = 0.0019011 k( 254) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0019011 k( 255) = ( 0.1159420 0.0669392 0.0473331), wk = 0.0019011 k( 256) = ( 0.1231884 0.0711229 0.0502915), wk = 0.0019011 k( 257) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0019011 k( 258) = ( 0.1376812 0.0794903 0.0562081), wk = 0.0019011 k( 259) = ( 0.1449275 0.0836740 0.0591664), wk = 0.0019011 k( 260) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0019011 k( 261) = ( 0.1594203 0.0920413 0.0650831), wk = 0.0019011 k( 262) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0019011 k( 263) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0019011 k( 264) = ( 0.1811594 0.1045924 0.0739580), wk = 0.0019011 k( 265) = ( 0.1884058 0.1087761 0.0769163), wk = 0.0019011 k( 266) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0019011 k( 267) = ( 0.2028986 0.1171435 0.0828330), wk = 0.0019011 k( 268) = ( 0.2101449 0.1213272 0.0857913), wk = 0.0019011 k( 269) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0019011 k( 270) = ( 0.2246377 0.1296946 0.0917079), wk = 0.0019011 k( 271) = ( 0.2318841 0.1338783 0.0946663), wk = 0.0019011 k( 272) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0019011 k( 273) = ( 0.2463768 0.1422457 0.1005829), wk = 0.0019011 k( 274) = ( 0.2536232 0.1464294 0.1035412), wk = 0.0019011 k( 275) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0019011 k( 276) = ( 0.2681159 0.1547968 0.1094579), wk = 0.0019011 k( 277) = ( 0.2753623 0.1589805 0.1124162), wk = 0.0019011 k( 278) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0019011 k( 279) = ( 0.2898551 0.1673479 0.1183328), wk = 0.0019011 k( 280) = ( 0.2971014 0.1715316 0.1212912), wk = 0.0019011 k( 281) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0019011 k( 282) = ( 0.3115942 0.1798990 0.1272078), wk = 0.0019011 k( 283) = ( 0.3188406 0.1840827 0.1301661), wk = 0.0019011 k( 284) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0019011 k( 285) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0019011 k( 286) = ( 0.3405797 0.1966338 0.1390411), wk = 0.0019011 k( 287) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0019011 k( 288) = ( 0.3550725 0.2050012 0.1449577), wk = 0.0019011 k( 289) = ( 0.3623188 0.2091849 0.1479160), wk = 0.0019011 k( 290) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0019011 k( 291) = ( 0.3768116 0.2175523 0.1538327), wk = 0.0019011 k( 292) = ( 0.3840580 0.2217360 0.1567910), wk = 0.0019011 k( 293) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0019011 k( 294) = ( 0.3985507 0.2301034 0.1627077), wk = 0.0019011 k( 295) = ( 0.4057971 0.2342871 0.1656660), wk = 0.0019011 k( 296) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0019011 k( 297) = ( 0.4202899 0.2426545 0.1715826), wk = 0.0019011 k( 298) = ( 0.4275362 0.2468382 0.1745409), wk = 0.0019011 k( 299) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0019011 k( 300) = ( 0.4420290 0.2552056 0.1804576), wk = 0.0019011 k( 301) = ( 0.4492754 0.2593893 0.1834159), wk = 0.0019011 k( 302) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0019011 k( 303) = ( 0.4637681 0.2677566 0.1893325), wk = 0.0019011 k( 304) = ( 0.4710145 0.2719403 0.1922909), wk = 0.0019011 k( 305) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0019011 k( 306) = ( 0.4855073 0.2803077 0.1982075), wk = 0.0019011 k( 307) = ( 0.4927536 0.2844914 0.2011658), wk = 0.0019011 k( 308) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019011 k( 309) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019011 k( 310) = ( 0.5025510 0.2813110 0.2082899), wk = 0.0019011 k( 311) = ( 0.5051020 0.2739468 0.2124557), wk = 0.0019011 k( 312) = ( 0.5076531 0.2665827 0.2166215), wk = 0.0019011 k( 313) = ( 0.5102041 0.2592185 0.2207873), wk = 0.0019011 k( 314) = ( 0.5127551 0.2518543 0.2249531), wk = 0.0019011 k( 315) = ( 0.5153061 0.2444902 0.2291189), wk = 0.0019011 k( 316) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0019011 k( 317) = ( 0.5204082 0.2297618 0.2374505), wk = 0.0019011 k( 318) = ( 0.5229592 0.2223977 0.2416163), wk = 0.0019011 k( 319) = ( 0.5255102 0.2150335 0.2457821), wk = 0.0019011 k( 320) = ( 0.5280612 0.2076694 0.2499479), wk = 0.0019011 k( 321) = ( 0.5306122 0.2003052 0.2541137), wk = 0.0019011 k( 322) = ( 0.5331633 0.1929410 0.2582795), wk = 0.0019011 k( 323) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0019011 k( 324) = ( 0.5382653 0.1782127 0.2666111), wk = 0.0019011 k( 325) = ( 0.5408163 0.1708486 0.2707769), wk = 0.0019011 k( 326) = ( 0.5433674 0.1634844 0.2749427), wk = 0.0019011 k( 327) = ( 0.5459184 0.1561202 0.2791085), wk = 0.0019011 k( 328) = ( 0.5484694 0.1487561 0.2832743), wk = 0.0019011 k( 329) = ( 0.5510204 0.1413919 0.2874401), wk = 0.0019011 k( 330) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0019011 k( 331) = ( 0.5561225 0.1266636 0.2957717), wk = 0.0019011 k( 332) = ( 0.5586735 0.1192994 0.2999375), wk = 0.0019011 k( 333) = ( 0.5612245 0.1119353 0.3041033), wk = 0.0019011 k( 334) = ( 0.5637755 0.1045711 0.3082691), wk = 0.0019011 k( 335) = ( 0.5663265 0.0972069 0.3124349), wk = 0.0019011 k( 336) = ( 0.5688775 0.0898428 0.3166007), wk = 0.0019011 k( 337) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0019011 k( 338) = ( 0.5739796 0.0751145 0.3249323), wk = 0.0019011 k( 339) = ( 0.5765306 0.0677503 0.3290981), wk = 0.0019011 k( 340) = ( 0.5790816 0.0603861 0.3332639), wk = 0.0019011 k( 341) = ( 0.5816326 0.0530220 0.3374297), wk = 0.0019011 k( 342) = ( 0.5841837 0.0456578 0.3415955), wk = 0.0019011 k( 343) = ( 0.5867347 0.0382936 0.3457613), wk = 0.0019011 k( 344) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0019011 k( 345) = ( 0.5918367 0.0235653 0.3540929), wk = 0.0019011 k( 346) = ( 0.5943878 0.0162012 0.3582587), wk = 0.0019011 k( 347) = ( 0.5969388 0.0088370 0.3624245), wk = 0.0019011 k( 348) = ( 0.5994898 0.0014728 0.3665903), wk = 0.0019011 k( 349) = ( 0.6020408 -0.0058913 0.3707561), wk = 0.0019011 k( 350) = ( 0.6045918 -0.0132555 0.3749219), wk = 0.0019011 k( 351) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0019011 k( 352) = ( 0.6096939 -0.0279838 0.3832535), wk = 0.0019011 k( 353) = ( 0.6122449 -0.0353480 0.3874193), wk = 0.0019011 k( 354) = ( 0.6147959 -0.0427121 0.3915851), wk = 0.0019011 k( 355) = ( 0.6173469 -0.0500763 0.3957509), wk = 0.0019011 k( 356) = ( 0.6198980 -0.0574405 0.3999167), wk = 0.0019011 k( 357) = ( 0.6224490 -0.0648046 0.4040825), wk = 0.0019011 k( 358) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019011 k( 359) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019011 k( 360) = ( 0.6206897 -0.0696802 0.4152870), wk = 0.0019011 k( 361) = ( 0.6163793 -0.0671916 0.4223258), wk = 0.0019011 k( 362) = ( 0.6120690 -0.0647030 0.4293646), wk = 0.0019011 k( 363) = ( 0.6077586 -0.0622145 0.4364033), wk = 0.0019011 k( 364) = ( 0.6034483 -0.0597259 0.4434421), wk = 0.0019011 k( 365) = ( 0.5991379 -0.0572373 0.4504809), wk = 0.0019011 k( 366) = ( 0.5948276 -0.0547487 0.4575196), wk = 0.0019011 k( 367) = ( 0.5905172 -0.0522602 0.4645584), wk = 0.0019011 k( 368) = ( 0.5862069 -0.0497716 0.4715972), wk = 0.0019011 k( 369) = ( 0.5818965 -0.0472830 0.4786359), wk = 0.0019011 k( 370) = ( 0.5775862 -0.0447944 0.4856747), wk = 0.0019011 k( 371) = ( 0.5732759 -0.0423058 0.4927135), wk = 0.0019011 k( 372) = ( 0.5689655 -0.0398173 0.4997522), wk = 0.0019011 k( 373) = ( 0.5646552 -0.0373287 0.5067910), wk = 0.0019011 k( 374) = ( 0.5603448 -0.0348401 0.5138297), wk = 0.0019011 k( 375) = ( 0.5560345 -0.0323515 0.5208685), wk = 0.0019011 k( 376) = ( 0.5517241 -0.0298629 0.5279073), wk = 0.0019011 k( 377) = ( 0.5474138 -0.0273744 0.5349460), wk = 0.0019011 k( 378) = ( 0.5431035 -0.0248858 0.5419848), wk = 0.0019011 k( 379) = ( 0.5387931 -0.0223972 0.5490236), wk = 0.0019011 k( 380) = ( 0.5344828 -0.0199086 0.5560623), wk = 0.0019011 k( 381) = ( 0.5301724 -0.0174200 0.5631011), wk = 0.0019011 k( 382) = ( 0.5258621 -0.0149315 0.5701399), wk = 0.0019011 k( 383) = ( 0.5215517 -0.0124429 0.5771786), wk = 0.0019011 k( 384) = ( 0.5172414 -0.0099543 0.5842174), wk = 0.0019011 k( 385) = ( 0.5129310 -0.0074657 0.5912562), wk = 0.0019011 k( 386) = ( 0.5086207 -0.0049772 0.5982949), wk = 0.0019011 k( 387) = ( 0.5043103 -0.0024886 0.6053337), wk = 0.0019011 k( 388) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019011 k( 389) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019011 k( 390) = ( 0.5000000 0.0050645 0.6052102), wk = 0.0019011 k( 391) = ( 0.5000000 0.0101290 0.5980479), wk = 0.0019011 k( 392) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0019011 k( 393) = ( 0.5000000 0.0202579 0.5837234), wk = 0.0019011 k( 394) = ( 0.5000000 0.0253224 0.5765612), wk = 0.0019011 k( 395) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0019011 k( 396) = ( 0.5000000 0.0354513 0.5622367), wk = 0.0019011 k( 397) = ( 0.5000000 0.0405158 0.5550744), wk = 0.0019011 k( 398) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0019011 k( 399) = ( 0.5000000 0.0506448 0.5407499), wk = 0.0019011 k( 400) = ( 0.5000000 0.0557092 0.5335877), wk = 0.0019011 k( 401) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0019011 k( 402) = ( 0.5000000 0.0658382 0.5192632), wk = 0.0019011 k( 403) = ( 0.5000000 0.0709027 0.5121009), wk = 0.0019011 k( 404) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0019011 k( 405) = ( 0.5000000 0.0810316 0.4977764), wk = 0.0019011 k( 406) = ( 0.5000000 0.0860961 0.4906142), wk = 0.0019011 k( 407) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0019011 k( 408) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0019011 k( 409) = ( 0.5000000 0.1012895 0.4691274), wk = 0.0019011 k( 410) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0019011 k( 411) = ( 0.5000000 0.1114185 0.4548029), wk = 0.0019011 k( 412) = ( 0.5000000 0.1164829 0.4476407), wk = 0.0019011 k( 413) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0019011 k( 414) = ( 0.5000000 0.1266119 0.4333162), wk = 0.0019011 k( 415) = ( 0.5000000 0.1316764 0.4261539), wk = 0.0019011 k( 416) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0019011 k( 417) = ( 0.5000000 0.1418053 0.4118294), wk = 0.0019011 k( 418) = ( 0.5000000 0.1468698 0.4046672), wk = 0.0019011 k( 419) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0019011 k( 420) = ( 0.5000000 0.1569988 0.3903427), wk = 0.0019011 k( 421) = ( 0.5000000 0.1620632 0.3831804), wk = 0.0019011 k( 422) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0019011 k( 423) = ( 0.5000000 0.1721922 0.3688559), wk = 0.0019011 k( 424) = ( 0.5000000 0.1772567 0.3616937), wk = 0.0019011 k( 425) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0019011 k( 426) = ( 0.5000000 0.1873856 0.3473692), wk = 0.0019011 k( 427) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0019011 k( 428) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0019011 k( 429) = ( 0.5000000 0.2025790 0.3258824), wk = 0.0019011 k( 430) = ( 0.5000000 0.2076435 0.3187202), wk = 0.0019011 k( 431) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0019011 k( 432) = ( 0.5000000 0.2177725 0.3043957), wk = 0.0019011 k( 433) = ( 0.5000000 0.2228370 0.2972334), wk = 0.0019011 k( 434) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0019011 k( 435) = ( 0.5000000 0.2329659 0.2829089), wk = 0.0019011 k( 436) = ( 0.5000000 0.2380304 0.2757467), wk = 0.0019011 k( 437) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0019011 k( 438) = ( 0.5000000 0.2481593 0.2614222), wk = 0.0019011 k( 439) = ( 0.5000000 0.2532238 0.2542599), wk = 0.0019011 k( 440) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0019011 k( 441) = ( 0.5000000 0.2633528 0.2399354), wk = 0.0019011 k( 442) = ( 0.5000000 0.2684172 0.2327731), wk = 0.0019011 k( 443) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0019011 k( 444) = ( 0.5000000 0.2785462 0.2184486), wk = 0.0019011 k( 445) = ( 0.5000000 0.2836107 0.2112864), wk = 0.0019011 k( 446) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019011 k( 447) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019011 k( 448) = ( 0.4974490 0.2872023 0.2124557), wk = 0.0019011 k( 449) = ( 0.4948980 0.2857295 0.2207873), wk = 0.0019011 k( 450) = ( 0.4923469 0.2842566 0.2291189), wk = 0.0019011 k( 451) = ( 0.4897959 0.2827838 0.2374505), wk = 0.0019011 k( 452) = ( 0.4872449 0.2813110 0.2457821), wk = 0.0019011 k( 453) = ( 0.4846939 0.2798381 0.2541137), wk = 0.0019011 k( 454) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0019011 k( 455) = ( 0.4795918 0.2768925 0.2707769), wk = 0.0019011 k( 456) = ( 0.4770408 0.2754196 0.2791085), wk = 0.0019011 k( 457) = ( 0.4744898 0.2739468 0.2874401), wk = 0.0019011 k( 458) = ( 0.4719388 0.2724740 0.2957717), wk = 0.0019011 k( 459) = ( 0.4693878 0.2710011 0.3041033), wk = 0.0019011 k( 460) = ( 0.4668367 0.2695283 0.3124349), wk = 0.0019011 k( 461) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0019011 k( 462) = ( 0.4617347 0.2665826 0.3290981), wk = 0.0019011 k( 463) = ( 0.4591837 0.2651098 0.3374297), wk = 0.0019011 k( 464) = ( 0.4566326 0.2636370 0.3457613), wk = 0.0019011 k( 465) = ( 0.4540816 0.2621642 0.3540929), wk = 0.0019011 k( 466) = ( 0.4515306 0.2606913 0.3624245), wk = 0.0019011 k( 467) = ( 0.4489796 0.2592185 0.3707561), wk = 0.0019011 k( 468) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0019011 k( 469) = ( 0.4438776 0.2562728 0.3874193), wk = 0.0019011 k( 470) = ( 0.4413265 0.2548000 0.3957509), wk = 0.0019011 k( 471) = ( 0.4387755 0.2533272 0.4040825), wk = 0.0019011 k( 472) = ( 0.4362245 0.2518543 0.4124141), wk = 0.0019011 k( 473) = ( 0.4336735 0.2503815 0.4207457), wk = 0.0019011 k( 474) = ( 0.4311224 0.2489087 0.4290773), wk = 0.0019011 k( 475) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0019011 k( 476) = ( 0.4260204 0.2459630 0.4457405), wk = 0.0019011 k( 477) = ( 0.4234694 0.2444902 0.4540721), wk = 0.0019011 k( 478) = ( 0.4209184 0.2430173 0.4624037), wk = 0.0019011 k( 479) = ( 0.4183674 0.2415445 0.4707353), wk = 0.0019011 k( 480) = ( 0.4158163 0.2400717 0.4790669), wk = 0.0019011 k( 481) = ( 0.4132653 0.2385988 0.4873985), wk = 0.0019011 k( 482) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0019011 k( 483) = ( 0.4081633 0.2356532 0.5040617), wk = 0.0019011 k( 484) = ( 0.4056122 0.2341803 0.5123933), wk = 0.0019011 k( 485) = ( 0.4030612 0.2327075 0.5207249), wk = 0.0019011 k( 486) = ( 0.4005102 0.2312347 0.5290565), wk = 0.0019011 k( 487) = ( 0.3979592 0.2297618 0.5373881), wk = 0.0019011 k( 488) = ( 0.3954082 0.2282890 0.5457197), wk = 0.0019011 k( 489) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0019011 k( 490) = ( 0.3903061 0.2253433 0.5623829), wk = 0.0019011 k( 491) = ( 0.3877551 0.2238705 0.5707145), wk = 0.0019011 k( 492) = ( 0.3852041 0.2223977 0.5790460), wk = 0.0019011 k( 493) = ( 0.3826531 0.2209248 0.5873776), wk = 0.0019011 k( 494) = ( 0.3801020 0.2194520 0.5957092), wk = 0.0019011 k( 495) = ( 0.3775510 0.2179792 0.6040408), wk = 0.0019011 k( 496) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019011 k( 497) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019011 k( 498) = ( 0.6206897 -0.0796345 0.4082483), wk = 0.0019011 k( 499) = ( 0.6163793 -0.0871003 0.4082483), wk = 0.0019011 k( 500) = ( 0.6120690 -0.0945660 0.4082483), wk = 0.0019011 k( 501) = ( 0.6077586 -0.1020317 0.4082483), wk = 0.0019011 k( 502) = ( 0.6034483 -0.1094975 0.4082483), wk = 0.0019011 k( 503) = ( 0.5991379 -0.1169632 0.4082483), wk = 0.0019011 k( 504) = ( 0.5948276 -0.1244289 0.4082483), wk = 0.0019011 k( 505) = ( 0.5905172 -0.1318947 0.4082483), wk = 0.0019011 k( 506) = ( 0.5862069 -0.1393604 0.4082483), wk = 0.0019011 k( 507) = ( 0.5818965 -0.1468261 0.4082483), wk = 0.0019011 k( 508) = ( 0.5775862 -0.1542919 0.4082483), wk = 0.0019011 k( 509) = ( 0.5732759 -0.1617576 0.4082483), wk = 0.0019011 k( 510) = ( 0.5689655 -0.1692234 0.4082483), wk = 0.0019011 k( 511) = ( 0.5646552 -0.1766891 0.4082483), wk = 0.0019011 k( 512) = ( 0.5603448 -0.1841548 0.4082483), wk = 0.0019011 k( 513) = ( 0.5560345 -0.1916206 0.4082483), wk = 0.0019011 k( 514) = ( 0.5517241 -0.1990863 0.4082483), wk = 0.0019011 k( 515) = ( 0.5474138 -0.2065520 0.4082483), wk = 0.0019011 k( 516) = ( 0.5431035 -0.2140178 0.4082483), wk = 0.0019011 k( 517) = ( 0.5387931 -0.2214835 0.4082483), wk = 0.0019011 k( 518) = ( 0.5344828 -0.2289492 0.4082483), wk = 0.0019011 k( 519) = ( 0.5301724 -0.2364150 0.4082483), wk = 0.0019011 k( 520) = ( 0.5258621 -0.2438807 0.4082483), wk = 0.0019011 k( 521) = ( 0.5215517 -0.2513464 0.4082483), wk = 0.0019011 k( 522) = ( 0.5172414 -0.2588122 0.4082483), wk = 0.0019011 k( 523) = ( 0.5129310 -0.2662779 0.4082483), wk = 0.0019011 k( 524) = ( 0.5086207 -0.2737437 0.4082483), wk = 0.0019011 k( 525) = ( 0.5043103 -0.2812094 0.4082483), wk = 0.0019011 k( 526) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 2) = ( 0.0062500 -0.0000000 0.0062500), wk = 0.0019011 k( 3) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0019011 k( 4) = ( 0.0187500 -0.0000000 0.0187500), wk = 0.0019011 k( 5) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0019011 k( 6) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0019011 k( 7) = ( 0.0375000 -0.0000000 0.0375000), wk = 0.0019011 k( 8) = ( 0.0437500 -0.0000000 0.0437500), wk = 0.0019011 k( 9) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0019011 k( 10) = ( 0.0562500 -0.0000000 0.0562500), wk = 0.0019011 k( 11) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0019011 k( 12) = ( 0.0687500 -0.0000000 0.0687500), wk = 0.0019011 k( 13) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0019011 k( 14) = ( 0.0812500 -0.0000000 0.0812500), wk = 0.0019011 k( 15) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0019011 k( 16) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0019011 k( 17) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0019011 k( 18) = ( 0.1062500 -0.0000000 0.1062500), wk = 0.0019011 k( 19) = ( 0.1125000 -0.0000000 0.1125000), wk = 0.0019011 k( 20) = ( 0.1187500 -0.0000000 0.1187500), wk = 0.0019011 k( 21) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0019011 k( 22) = ( 0.1312500 0.0000000 0.1312500), wk = 0.0019011 k( 23) = ( 0.1375000 -0.0000000 0.1375000), wk = 0.0019011 k( 24) = ( 0.1437500 0.0000000 0.1437500), wk = 0.0019011 k( 25) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0019011 k( 26) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0019011 k( 27) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0019011 k( 28) = ( 0.1687500 0.0000000 0.1687500), wk = 0.0019011 k( 29) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0019011 k( 30) = ( 0.1812500 -0.0000000 0.1812500), wk = 0.0019011 k( 31) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0019011 k( 32) = ( 0.1937500 -0.0000000 0.1937500), wk = 0.0019011 k( 33) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0019011 k( 34) = ( 0.2062500 -0.0000000 0.2062500), wk = 0.0019011 k( 35) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0019011 k( 36) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0019011 k( 37) = ( 0.2250000 -0.0000000 0.2250000), wk = 0.0019011 k( 38) = ( 0.2312500 -0.0000000 0.2312500), wk = 0.0019011 k( 39) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0019011 k( 40) = ( 0.2437500 -0.0000000 0.2437500), wk = 0.0019011 k( 41) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0019011 k( 42) = ( 0.2562500 0.0000000 0.2562500), wk = 0.0019011 k( 43) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0019011 k( 44) = ( 0.2687500 0.0000000 0.2687500), wk = 0.0019011 k( 45) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0019011 k( 46) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0019011 k( 47) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0019011 k( 48) = ( 0.2937500 -0.0000000 0.2937500), wk = 0.0019011 k( 49) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0019011 k( 50) = ( 0.3062500 -0.0000000 0.3062500), wk = 0.0019011 k( 51) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0019011 k( 52) = ( 0.3187500 -0.0000000 0.3187500), wk = 0.0019011 k( 53) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0019011 k( 54) = ( 0.3312500 -0.0000000 0.3312500), wk = 0.0019011 k( 55) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0019011 k( 56) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0019011 k( 57) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0019011 k( 58) = ( 0.3562500 0.0000000 0.3562500), wk = 0.0019011 k( 59) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0019011 k( 60) = ( 0.3687500 -0.0000000 0.3687500), wk = 0.0019011 k( 61) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0019011 k( 62) = ( 0.3812500 -0.0000000 0.3812500), wk = 0.0019011 k( 63) = ( 0.3875000 -0.0000000 0.3875000), wk = 0.0019011 k( 64) = ( 0.3937500 -0.0000000 0.3937500), wk = 0.0019011 k( 65) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0019011 k( 66) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0019011 k( 67) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0019011 k( 68) = ( 0.4187500 -0.0000000 0.4187500), wk = 0.0019011 k( 69) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0019011 k( 70) = ( 0.4312500 0.0000000 0.4312500), wk = 0.0019011 k( 71) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0019011 k( 72) = ( 0.4437500 -0.0000000 0.4437500), wk = 0.0019011 k( 73) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0019011 k( 74) = ( 0.4562500 -0.0000000 0.4562500), wk = 0.0019011 k( 75) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0019011 k( 76) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0019011 k( 77) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0019011 k( 78) = ( 0.4812500 -0.0000000 0.4812500), wk = 0.0019011 k( 79) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0019011 k( 80) = ( 0.4937500 -0.0000000 0.4937500), wk = 0.0019011 k( 81) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019011 k( 82) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019011 k( 83) = ( 0.5000000 0.0062500 0.5062500), wk = 0.0019011 k( 84) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0019011 k( 85) = ( 0.5000000 0.0187500 0.5187500), wk = 0.0019011 k( 86) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0019011 k( 87) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0019011 k( 88) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0019011 k( 89) = ( 0.5000000 0.0437500 0.5437500), wk = 0.0019011 k( 90) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0019011 k( 91) = ( 0.5000000 0.0562500 0.5562500), wk = 0.0019011 k( 92) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0019011 k( 93) = ( 0.5000000 0.0687500 0.5687500), wk = 0.0019011 k( 94) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0019011 k( 95) = ( 0.5000000 0.0812500 0.5812500), wk = 0.0019011 k( 96) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0019011 k( 97) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0019011 k( 98) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0019011 k( 99) = ( 0.5000000 0.1062500 0.6062500), wk = 0.0019011 k( 100) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0019011 k( 101) = ( 0.5000000 0.1187500 0.6187500), wk = 0.0019011 k( 102) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0019011 k( 103) = ( 0.5000000 0.1312500 0.6312500), wk = 0.0019011 k( 104) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0019011 k( 105) = ( 0.5000000 0.1437500 0.6437500), wk = 0.0019011 k( 106) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0019011 k( 107) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0019011 k( 108) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0019011 k( 109) = ( 0.5000000 0.1687500 0.6687500), wk = 0.0019011 k( 110) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0019011 k( 111) = ( 0.5000000 0.1812500 0.6812500), wk = 0.0019011 k( 112) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0019011 k( 113) = ( 0.5000000 0.1937500 0.6937500), wk = 0.0019011 k( 114) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0019011 k( 115) = ( 0.5000000 0.2062500 0.7062500), wk = 0.0019011 k( 116) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0019011 k( 117) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0019011 k( 118) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0019011 k( 119) = ( 0.5000000 0.2312500 0.7312500), wk = 0.0019011 k( 120) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0019011 k( 121) = ( 0.5000000 0.2437500 0.7437500), wk = 0.0019011 k( 122) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019011 k( 123) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019011 k( 124) = ( 0.4956897 0.2543103 0.7500000), wk = 0.0019011 k( 125) = ( 0.4913793 0.2586207 0.7500000), wk = 0.0019011 k( 126) = ( 0.4870690 0.2629310 0.7500000), wk = 0.0019011 k( 127) = ( 0.4827586 0.2672414 0.7500000), wk = 0.0019011 k( 128) = ( 0.4784483 0.2715517 0.7500000), wk = 0.0019011 k( 129) = ( 0.4741379 0.2758621 0.7500000), wk = 0.0019011 k( 130) = ( 0.4698276 0.2801724 0.7500000), wk = 0.0019011 k( 131) = ( 0.4655172 0.2844828 0.7500000), wk = 0.0019011 k( 132) = ( 0.4612069 0.2887931 0.7500000), wk = 0.0019011 k( 133) = ( 0.4568966 0.2931034 0.7500000), wk = 0.0019011 k( 134) = ( 0.4525862 0.2974138 0.7500000), wk = 0.0019011 k( 135) = ( 0.4482759 0.3017241 0.7500000), wk = 0.0019011 k( 136) = ( 0.4439655 0.3060345 0.7500000), wk = 0.0019011 k( 137) = ( 0.4396552 0.3103448 0.7500000), wk = 0.0019011 k( 138) = ( 0.4353448 0.3146552 0.7500000), wk = 0.0019011 k( 139) = ( 0.4310345 0.3189655 0.7500000), wk = 0.0019011 k( 140) = ( 0.4267241 0.3232759 0.7500000), wk = 0.0019011 k( 141) = ( 0.4224138 0.3275862 0.7500000), wk = 0.0019011 k( 142) = ( 0.4181034 0.3318966 0.7500000), wk = 0.0019011 k( 143) = ( 0.4137931 0.3362069 0.7500000), wk = 0.0019011 k( 144) = ( 0.4094828 0.3405172 0.7500000), wk = 0.0019011 k( 145) = ( 0.4051724 0.3448276 0.7500000), wk = 0.0019011 k( 146) = ( 0.4008621 0.3491379 0.7500000), wk = 0.0019011 k( 147) = ( 0.3965517 0.3534483 0.7500000), wk = 0.0019011 k( 148) = ( 0.3922414 0.3577586 0.7500000), wk = 0.0019011 k( 149) = ( 0.3879310 0.3620690 0.7500000), wk = 0.0019011 k( 150) = ( 0.3836207 0.3663793 0.7500000), wk = 0.0019011 k( 151) = ( 0.3793103 0.3706897 0.7500000), wk = 0.0019011 k( 152) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019011 k( 153) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019011 k( 154) = ( 0.3705882 0.3705882 0.7411765), wk = 0.0019011 k( 155) = ( 0.3661765 0.3661765 0.7323529), wk = 0.0019011 k( 156) = ( 0.3617647 0.3617647 0.7235294), wk = 0.0019011 k( 157) = ( 0.3573529 0.3573529 0.7147059), wk = 0.0019011 k( 158) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0019011 k( 159) = ( 0.3485294 0.3485294 0.6970588), wk = 0.0019011 k( 160) = ( 0.3441176 0.3441177 0.6882353), wk = 0.0019011 k( 161) = ( 0.3397059 0.3397059 0.6794118), wk = 0.0019011 k( 162) = ( 0.3352941 0.3352941 0.6705882), wk = 0.0019011 k( 163) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0019011 k( 164) = ( 0.3264706 0.3264706 0.6529412), wk = 0.0019011 k( 165) = ( 0.3220588 0.3220588 0.6441176), wk = 0.0019011 k( 166) = ( 0.3176471 0.3176471 0.6352941), wk = 0.0019011 k( 167) = ( 0.3132353 0.3132353 0.6264706), wk = 0.0019011 k( 168) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0019011 k( 169) = ( 0.3044118 0.3044118 0.6088235), wk = 0.0019011 k( 170) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0019011 k( 171) = ( 0.2955882 0.2955882 0.5911765), wk = 0.0019011 k( 172) = ( 0.2911765 0.2911765 0.5823529), wk = 0.0019011 k( 173) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0019011 k( 174) = ( 0.2823529 0.2823529 0.5647059), wk = 0.0019011 k( 175) = ( 0.2779412 0.2779412 0.5558824), wk = 0.0019011 k( 176) = ( 0.2735294 0.2735294 0.5470588), wk = 0.0019011 k( 177) = ( 0.2691176 0.2691176 0.5382353), wk = 0.0019011 k( 178) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0019011 k( 179) = ( 0.2602941 0.2602941 0.5205882), wk = 0.0019011 k( 180) = ( 0.2558823 0.2558824 0.5117647), wk = 0.0019011 k( 181) = ( 0.2514706 0.2514706 0.5029412), wk = 0.0019011 k( 182) = ( 0.2470588 0.2470588 0.4941177), wk = 0.0019011 k( 183) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0019011 k( 184) = ( 0.2382353 0.2382353 0.4764706), wk = 0.0019011 k( 185) = ( 0.2338235 0.2338235 0.4676471), wk = 0.0019011 k( 186) = ( 0.2294118 0.2294118 0.4588235), wk = 0.0019011 k( 187) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0019011 k( 188) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0019011 k( 189) = ( 0.2161765 0.2161765 0.4323529), wk = 0.0019011 k( 190) = ( 0.2117647 0.2117647 0.4235294), wk = 0.0019011 k( 191) = ( 0.2073529 0.2073529 0.4147059), wk = 0.0019011 k( 192) = ( 0.2029412 0.2029412 0.4058824), wk = 0.0019011 k( 193) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0019011 k( 194) = ( 0.1941177 0.1941177 0.3882353), wk = 0.0019011 k( 195) = ( 0.1897059 0.1897059 0.3794118), wk = 0.0019011 k( 196) = ( 0.1852941 0.1852941 0.3705882), wk = 0.0019011 k( 197) = ( 0.1808823 0.1808823 0.3617647), wk = 0.0019011 k( 198) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0019011 k( 199) = ( 0.1720588 0.1720588 0.3441177), wk = 0.0019011 k( 200) = ( 0.1676471 0.1676471 0.3352941), wk = 0.0019011 k( 201) = ( 0.1632353 0.1632353 0.3264706), wk = 0.0019011 k( 202) = ( 0.1588235 0.1588235 0.3176471), wk = 0.0019011 k( 203) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0019011 k( 204) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0019011 k( 205) = ( 0.1455882 0.1455882 0.2911765), wk = 0.0019011 k( 206) = ( 0.1411765 0.1411765 0.2823529), wk = 0.0019011 k( 207) = ( 0.1367647 0.1367647 0.2735294), wk = 0.0019011 k( 208) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0019011 k( 209) = ( 0.1279412 0.1279412 0.2558824), wk = 0.0019011 k( 210) = ( 0.1235294 0.1235294 0.2470588), wk = 0.0019011 k( 211) = ( 0.1191177 0.1191177 0.2382353), wk = 0.0019011 k( 212) = ( 0.1147059 0.1147059 0.2294118), wk = 0.0019011 k( 213) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0019011 k( 214) = ( 0.1058824 0.1058824 0.2117647), wk = 0.0019011 k( 215) = ( 0.1014706 0.1014706 0.2029412), wk = 0.0019011 k( 216) = ( 0.0970588 0.0970588 0.1941177), wk = 0.0019011 k( 217) = ( 0.0926471 0.0926471 0.1852941), wk = 0.0019011 k( 218) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0019011 k( 219) = ( 0.0838235 0.0838235 0.1676471), wk = 0.0019011 k( 220) = ( 0.0794118 0.0794118 0.1588235), wk = 0.0019011 k( 221) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0019011 k( 222) = ( 0.0705882 0.0705882 0.1411765), wk = 0.0019011 k( 223) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0019011 k( 224) = ( 0.0617647 0.0617647 0.1235294), wk = 0.0019011 k( 225) = ( 0.0573529 0.0573529 0.1147059), wk = 0.0019011 k( 226) = ( 0.0529412 0.0529412 0.1058824), wk = 0.0019011 k( 227) = ( 0.0485294 0.0485294 0.0970588), wk = 0.0019011 k( 228) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0019011 k( 229) = ( 0.0397059 0.0397059 0.0794118), wk = 0.0019011 k( 230) = ( 0.0352941 0.0352941 0.0705882), wk = 0.0019011 k( 231) = ( 0.0308823 0.0308824 0.0617647), wk = 0.0019011 k( 232) = ( 0.0264706 0.0264706 0.0529412), wk = 0.0019011 k( 233) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0019011 k( 234) = ( 0.0176471 0.0176471 0.0352941), wk = 0.0019011 k( 235) = ( 0.0132353 0.0132353 0.0264706), wk = 0.0019011 k( 236) = ( 0.0088235 0.0088235 0.0176471), wk = 0.0019011 k( 237) = ( 0.0044118 0.0044118 0.0088235), wk = 0.0019011 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019011 k( 240) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0019011 k( 241) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0019011 k( 242) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0019011 k( 243) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0019011 k( 244) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0019011 k( 245) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0019011 k( 246) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0019011 k( 247) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0019011 k( 248) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0019011 k( 249) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0019011 k( 250) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0019011 k( 251) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0019011 k( 252) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0019011 k( 253) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0019011 k( 254) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0019011 k( 255) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0019011 k( 256) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0019011 k( 257) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0019011 k( 258) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0019011 k( 259) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0019011 k( 260) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0019011 k( 261) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0019011 k( 262) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0019011 k( 263) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0019011 k( 264) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0019011 k( 265) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0019011 k( 266) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0019011 k( 267) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0019011 k( 268) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0019011 k( 269) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0019011 k( 270) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0019011 k( 271) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0019011 k( 272) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0019011 k( 273) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0019011 k( 274) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0019011 k( 275) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0019011 k( 276) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0019011 k( 277) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0019011 k( 278) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0019011 k( 279) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0019011 k( 280) = ( 0.2971014 0.2971014 0.2971015), wk = 0.0019011 k( 281) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0019011 k( 282) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0019011 k( 283) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0019011 k( 284) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0019011 k( 285) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0019011 k( 286) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0019011 k( 287) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0019011 k( 288) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0019011 k( 289) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0019011 k( 290) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0019011 k( 291) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0019011 k( 292) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0019011 k( 293) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0019011 k( 294) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0019011 k( 295) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0019011 k( 296) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0019011 k( 297) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0019011 k( 298) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0019011 k( 299) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0019011 k( 300) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0019011 k( 301) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0019011 k( 302) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0019011 k( 303) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0019011 k( 304) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0019011 k( 305) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0019011 k( 306) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0019011 k( 307) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0019011 k( 308) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019011 k( 309) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019011 k( 310) = ( 0.5025510 0.4948980 0.5025510), wk = 0.0019011 k( 311) = ( 0.5051020 0.4897959 0.5051020), wk = 0.0019011 k( 312) = ( 0.5076531 0.4846939 0.5076531), wk = 0.0019011 k( 313) = ( 0.5102041 0.4795918 0.5102041), wk = 0.0019011 k( 314) = ( 0.5127551 0.4744898 0.5127551), wk = 0.0019011 k( 315) = ( 0.5153061 0.4693878 0.5153061), wk = 0.0019011 k( 316) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0019011 k( 317) = ( 0.5204082 0.4591837 0.5204082), wk = 0.0019011 k( 318) = ( 0.5229592 0.4540816 0.5229592), wk = 0.0019011 k( 319) = ( 0.5255102 0.4489796 0.5255102), wk = 0.0019011 k( 320) = ( 0.5280612 0.4438776 0.5280612), wk = 0.0019011 k( 321) = ( 0.5306122 0.4387755 0.5306122), wk = 0.0019011 k( 322) = ( 0.5331633 0.4336735 0.5331633), wk = 0.0019011 k( 323) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0019011 k( 324) = ( 0.5382653 0.4234694 0.5382653), wk = 0.0019011 k( 325) = ( 0.5408163 0.4183674 0.5408163), wk = 0.0019011 k( 326) = ( 0.5433674 0.4132653 0.5433674), wk = 0.0019011 k( 327) = ( 0.5459184 0.4081633 0.5459184), wk = 0.0019011 k( 328) = ( 0.5484694 0.4030612 0.5484694), wk = 0.0019011 k( 329) = ( 0.5510204 0.3979592 0.5510204), wk = 0.0019011 k( 330) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0019011 k( 331) = ( 0.5561225 0.3877551 0.5561225), wk = 0.0019011 k( 332) = ( 0.5586735 0.3826531 0.5586735), wk = 0.0019011 k( 333) = ( 0.5612245 0.3775510 0.5612245), wk = 0.0019011 k( 334) = ( 0.5637755 0.3724490 0.5637755), wk = 0.0019011 k( 335) = ( 0.5663265 0.3673469 0.5663265), wk = 0.0019011 k( 336) = ( 0.5688775 0.3622449 0.5688776), wk = 0.0019011 k( 337) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0019011 k( 338) = ( 0.5739796 0.3520408 0.5739796), wk = 0.0019011 k( 339) = ( 0.5765306 0.3469388 0.5765306), wk = 0.0019011 k( 340) = ( 0.5790816 0.3418367 0.5790816), wk = 0.0019011 k( 341) = ( 0.5816326 0.3367347 0.5816327), wk = 0.0019011 k( 342) = ( 0.5841837 0.3316327 0.5841837), wk = 0.0019011 k( 343) = ( 0.5867347 0.3265306 0.5867347), wk = 0.0019011 k( 344) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0019011 k( 345) = ( 0.5918367 0.3163265 0.5918367), wk = 0.0019011 k( 346) = ( 0.5943878 0.3112245 0.5943878), wk = 0.0019011 k( 347) = ( 0.5969388 0.3061224 0.5969388), wk = 0.0019011 k( 348) = ( 0.5994898 0.3010204 0.5994898), wk = 0.0019011 k( 349) = ( 0.6020408 0.2959184 0.6020408), wk = 0.0019011 k( 350) = ( 0.6045918 0.2908163 0.6045918), wk = 0.0019011 k( 351) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0019011 k( 352) = ( 0.6096939 0.2806122 0.6096939), wk = 0.0019011 k( 353) = ( 0.6122449 0.2755102 0.6122449), wk = 0.0019011 k( 354) = ( 0.6147959 0.2704082 0.6147959), wk = 0.0019011 k( 355) = ( 0.6173469 0.2653061 0.6173469), wk = 0.0019011 k( 356) = ( 0.6198980 0.2602041 0.6198980), wk = 0.0019011 k( 357) = ( 0.6224490 0.2551020 0.6224490), wk = 0.0019011 k( 358) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019011 k( 359) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019011 k( 360) = ( 0.6206897 0.2500000 0.6293103), wk = 0.0019011 k( 361) = ( 0.6163793 0.2500000 0.6336207), wk = 0.0019011 k( 362) = ( 0.6120690 0.2500000 0.6379310), wk = 0.0019011 k( 363) = ( 0.6077586 0.2500000 0.6422414), wk = 0.0019011 k( 364) = ( 0.6034483 0.2500000 0.6465517), wk = 0.0019011 k( 365) = ( 0.5991379 0.2500000 0.6508621), wk = 0.0019011 k( 366) = ( 0.5948276 0.2500000 0.6551724), wk = 0.0019011 k( 367) = ( 0.5905172 0.2500000 0.6594828), wk = 0.0019011 k( 368) = ( 0.5862069 0.2500000 0.6637931), wk = 0.0019011 k( 369) = ( 0.5818965 0.2500000 0.6681035), wk = 0.0019011 k( 370) = ( 0.5775862 0.2500000 0.6724138), wk = 0.0019011 k( 371) = ( 0.5732759 0.2500000 0.6767241), wk = 0.0019011 k( 372) = ( 0.5689655 0.2500000 0.6810345), wk = 0.0019011 k( 373) = ( 0.5646552 0.2500000 0.6853448), wk = 0.0019011 k( 374) = ( 0.5603448 0.2500000 0.6896552), wk = 0.0019011 k( 375) = ( 0.5560345 0.2500000 0.6939655), wk = 0.0019011 k( 376) = ( 0.5517241 0.2500000 0.6982759), wk = 0.0019011 k( 377) = ( 0.5474138 0.2500000 0.7025862), wk = 0.0019011 k( 378) = ( 0.5431035 0.2500000 0.7068966), wk = 0.0019011 k( 379) = ( 0.5387931 0.2500000 0.7112069), wk = 0.0019011 k( 380) = ( 0.5344828 0.2500000 0.7155172), wk = 0.0019011 k( 381) = ( 0.5301724 0.2500000 0.7198276), wk = 0.0019011 k( 382) = ( 0.5258621 0.2500000 0.7241379), wk = 0.0019011 k( 383) = ( 0.5215517 0.2500000 0.7284483), wk = 0.0019011 k( 384) = ( 0.5172414 0.2500000 0.7327586), wk = 0.0019011 k( 385) = ( 0.5129310 0.2500000 0.7370690), wk = 0.0019011 k( 386) = ( 0.5086207 0.2500000 0.7413793), wk = 0.0019011 k( 387) = ( 0.5043103 0.2500000 0.7456897), wk = 0.0019011 k( 388) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019011 k( 389) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019011 k( 390) = ( 0.5000000 0.2543860 0.7456140), wk = 0.0019011 k( 391) = ( 0.5000000 0.2587719 0.7412281), wk = 0.0019011 k( 392) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0019011 k( 393) = ( 0.5000000 0.2675439 0.7324561), wk = 0.0019011 k( 394) = ( 0.5000000 0.2719298 0.7280702), wk = 0.0019011 k( 395) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0019011 k( 396) = ( 0.5000000 0.2807018 0.7192983), wk = 0.0019011 k( 397) = ( 0.5000000 0.2850877 0.7149123), wk = 0.0019011 k( 398) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0019011 k( 399) = ( 0.5000000 0.2938597 0.7061404), wk = 0.0019011 k( 400) = ( 0.5000000 0.2982456 0.7017544), wk = 0.0019011 k( 401) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0019011 k( 402) = ( 0.5000000 0.3070175 0.6929825), wk = 0.0019011 k( 403) = ( 0.5000000 0.3114035 0.6885965), wk = 0.0019011 k( 404) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0019011 k( 405) = ( 0.5000000 0.3201754 0.6798246), wk = 0.0019011 k( 406) = ( 0.5000000 0.3245614 0.6754386), wk = 0.0019011 k( 407) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0019011 k( 408) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0019011 k( 409) = ( 0.5000000 0.3377193 0.6622807), wk = 0.0019011 k( 410) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0019011 k( 411) = ( 0.5000000 0.3464912 0.6535088), wk = 0.0019011 k( 412) = ( 0.5000000 0.3508772 0.6491228), wk = 0.0019011 k( 413) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0019011 k( 414) = ( 0.5000000 0.3596491 0.6403509), wk = 0.0019011 k( 415) = ( 0.5000000 0.3640351 0.6359649), wk = 0.0019011 k( 416) = ( 0.5000000 0.3684211 0.6315790), wk = 0.0019011 k( 417) = ( 0.5000000 0.3728070 0.6271930), wk = 0.0019011 k( 418) = ( 0.5000000 0.3771930 0.6228070), wk = 0.0019011 k( 419) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0019011 k( 420) = ( 0.5000000 0.3859649 0.6140351), wk = 0.0019011 k( 421) = ( 0.5000000 0.3903509 0.6096491), wk = 0.0019011 k( 422) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0019011 k( 423) = ( 0.5000000 0.3991228 0.6008772), wk = 0.0019011 k( 424) = ( 0.5000000 0.4035088 0.5964912), wk = 0.0019011 k( 425) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0019011 k( 426) = ( 0.5000000 0.4122807 0.5877193), wk = 0.0019011 k( 427) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0019011 k( 428) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0019011 k( 429) = ( 0.5000000 0.4254386 0.5745614), wk = 0.0019011 k( 430) = ( 0.5000000 0.4298246 0.5701754), wk = 0.0019011 k( 431) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0019011 k( 432) = ( 0.5000000 0.4385965 0.5614035), wk = 0.0019011 k( 433) = ( 0.5000000 0.4429825 0.5570175), wk = 0.0019011 k( 434) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0019011 k( 435) = ( 0.5000000 0.4517544 0.5482456), wk = 0.0019011 k( 436) = ( 0.5000000 0.4561404 0.5438597), wk = 0.0019011 k( 437) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0019011 k( 438) = ( 0.5000000 0.4649123 0.5350877), wk = 0.0019011 k( 439) = ( 0.5000000 0.4692983 0.5307018), wk = 0.0019011 k( 440) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0019011 k( 441) = ( 0.5000000 0.4780702 0.5219298), wk = 0.0019011 k( 442) = ( 0.5000000 0.4824561 0.5175439), wk = 0.0019011 k( 443) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0019011 k( 444) = ( 0.5000000 0.4912281 0.5087719), wk = 0.0019011 k( 445) = ( 0.5000000 0.4956140 0.5043860), wk = 0.0019011 k( 446) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019011 k( 447) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019011 k( 448) = ( 0.4974490 0.4974490 0.5051020), wk = 0.0019011 k( 449) = ( 0.4948980 0.4948980 0.5102041), wk = 0.0019011 k( 450) = ( 0.4923469 0.4923469 0.5153061), wk = 0.0019011 k( 451) = ( 0.4897959 0.4897959 0.5204082), wk = 0.0019011 k( 452) = ( 0.4872449 0.4872449 0.5255102), wk = 0.0019011 k( 453) = ( 0.4846939 0.4846939 0.5306122), wk = 0.0019011 k( 454) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0019011 k( 455) = ( 0.4795918 0.4795918 0.5408163), wk = 0.0019011 k( 456) = ( 0.4770408 0.4770408 0.5459184), wk = 0.0019011 k( 457) = ( 0.4744898 0.4744898 0.5510204), wk = 0.0019011 k( 458) = ( 0.4719388 0.4719388 0.5561225), wk = 0.0019011 k( 459) = ( 0.4693878 0.4693878 0.5612245), wk = 0.0019011 k( 460) = ( 0.4668367 0.4668367 0.5663265), wk = 0.0019011 k( 461) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0019011 k( 462) = ( 0.4617347 0.4617347 0.5765306), wk = 0.0019011 k( 463) = ( 0.4591837 0.4591837 0.5816327), wk = 0.0019011 k( 464) = ( 0.4566326 0.4566327 0.5867347), wk = 0.0019011 k( 465) = ( 0.4540816 0.4540816 0.5918367), wk = 0.0019011 k( 466) = ( 0.4515306 0.4515306 0.5969388), wk = 0.0019011 k( 467) = ( 0.4489796 0.4489796 0.6020408), wk = 0.0019011 k( 468) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0019011 k( 469) = ( 0.4438776 0.4438776 0.6122449), wk = 0.0019011 k( 470) = ( 0.4413265 0.4413265 0.6173469), wk = 0.0019011 k( 471) = ( 0.4387755 0.4387755 0.6224490), wk = 0.0019011 k( 472) = ( 0.4362245 0.4362245 0.6275510), wk = 0.0019011 k( 473) = ( 0.4336735 0.4336735 0.6326531), wk = 0.0019011 k( 474) = ( 0.4311224 0.4311225 0.6377551), wk = 0.0019011 k( 475) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0019011 k( 476) = ( 0.4260204 0.4260204 0.6479592), wk = 0.0019011 k( 477) = ( 0.4234694 0.4234694 0.6530612), wk = 0.0019011 k( 478) = ( 0.4209184 0.4209184 0.6581633), wk = 0.0019011 k( 479) = ( 0.4183674 0.4183674 0.6632653), wk = 0.0019011 k( 480) = ( 0.4158163 0.4158163 0.6683674), wk = 0.0019011 k( 481) = ( 0.4132653 0.4132653 0.6734694), wk = 0.0019011 k( 482) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0019011 k( 483) = ( 0.4081633 0.4081633 0.6836735), wk = 0.0019011 k( 484) = ( 0.4056122 0.4056122 0.6887755), wk = 0.0019011 k( 485) = ( 0.4030612 0.4030612 0.6938776), wk = 0.0019011 k( 486) = ( 0.4005102 0.4005102 0.6989796), wk = 0.0019011 k( 487) = ( 0.3979592 0.3979592 0.7040816), wk = 0.0019011 k( 488) = ( 0.3954082 0.3954082 0.7091837), wk = 0.0019011 k( 489) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0019011 k( 490) = ( 0.3903061 0.3903061 0.7193878), wk = 0.0019011 k( 491) = ( 0.3877551 0.3877551 0.7244898), wk = 0.0019011 k( 492) = ( 0.3852041 0.3852041 0.7295918), wk = 0.0019011 k( 493) = ( 0.3826531 0.3826531 0.7346939), wk = 0.0019011 k( 494) = ( 0.3801020 0.3801020 0.7397959), wk = 0.0019011 k( 495) = ( 0.3775510 0.3775510 0.7448980), wk = 0.0019011 k( 496) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019011 k( 497) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019011 k( 498) = ( 0.6206897 0.2413793 0.6206897), wk = 0.0019011 k( 499) = ( 0.6163793 0.2327586 0.6163793), wk = 0.0019011 k( 500) = ( 0.6120690 0.2241379 0.6120690), wk = 0.0019011 k( 501) = ( 0.6077586 0.2155172 0.6077586), wk = 0.0019011 k( 502) = ( 0.6034483 0.2068966 0.6034483), wk = 0.0019011 k( 503) = ( 0.5991379 0.1982759 0.5991379), wk = 0.0019011 k( 504) = ( 0.5948276 0.1896552 0.5948276), wk = 0.0019011 k( 505) = ( 0.5905172 0.1810345 0.5905172), wk = 0.0019011 k( 506) = ( 0.5862069 0.1724138 0.5862069), wk = 0.0019011 k( 507) = ( 0.5818965 0.1637931 0.5818966), wk = 0.0019011 k( 508) = ( 0.5775862 0.1551724 0.5775862), wk = 0.0019011 k( 509) = ( 0.5732759 0.1465517 0.5732759), wk = 0.0019011 k( 510) = ( 0.5689655 0.1379310 0.5689655), wk = 0.0019011 k( 511) = ( 0.5646552 0.1293103 0.5646552), wk = 0.0019011 k( 512) = ( 0.5603448 0.1206897 0.5603448), wk = 0.0019011 k( 513) = ( 0.5560345 0.1120690 0.5560345), wk = 0.0019011 k( 514) = ( 0.5517241 0.1034483 0.5517241), wk = 0.0019011 k( 515) = ( 0.5474138 0.0948276 0.5474138), wk = 0.0019011 k( 516) = ( 0.5431035 0.0862069 0.5431035), wk = 0.0019011 k( 517) = ( 0.5387931 0.0775862 0.5387931), wk = 0.0019011 k( 518) = ( 0.5344828 0.0689655 0.5344828), wk = 0.0019011 k( 519) = ( 0.5301724 0.0603448 0.5301724), wk = 0.0019011 k( 520) = ( 0.5258621 0.0517241 0.5258621), wk = 0.0019011 k( 521) = ( 0.5215517 0.0431034 0.5215517), wk = 0.0019011 k( 522) = ( 0.5172414 0.0344828 0.5172414), wk = 0.0019011 k( 523) = ( 0.5129310 0.0258621 0.5129310), wk = 0.0019011 k( 524) = ( 0.5086207 0.0172414 0.5086207), wk = 0.0019011 k( 525) = ( 0.5043103 0.0086207 0.5043103), wk = 0.0019011 k( 526) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019011 Dense grid: 10081 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 4111 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 32, 16) NL pseudopotentials 0.01 Mb ( 16, 48) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 281) G-vector shells 0.00 Mb ( 118) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 32, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.02 Mb ( 48, 2, 16) The potential is recalculated from file : ./AlN.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 1.9 secs Computing kpt #: 7 total cpu time spent up to now is 2.0 secs Computing kpt #: 8 total cpu time spent up to now is 2.0 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.1 secs Computing kpt #: 11 total cpu time spent up to now is 2.2 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.3 secs Computing kpt #: 16 total cpu time spent up to now is 2.4 secs Computing kpt #: 17 total cpu time spent up to now is 2.4 secs Computing kpt #: 18 total cpu time spent up to now is 2.5 secs Computing kpt #: 19 total cpu time spent up to now is 2.5 secs Computing kpt #: 20 total cpu time spent up to now is 2.6 secs Computing kpt #: 21 total cpu time spent up to now is 2.6 secs Computing kpt #: 22 total cpu time spent up to now is 2.7 secs Computing kpt #: 23 total cpu time spent up to now is 2.7 secs Computing kpt #: 24 total cpu time spent up to now is 2.8 secs Computing kpt #: 25 total cpu time spent up to now is 2.8 secs Computing kpt #: 26 total cpu time spent up to now is 2.9 secs Computing kpt #: 27 total cpu time spent up to now is 2.9 secs Computing kpt #: 28 total cpu time spent up to now is 3.0 secs Computing kpt #: 29 total cpu time spent up to now is 3.0 secs Computing kpt #: 30 total cpu time spent up to now is 3.1 secs Computing kpt #: 31 total cpu time spent up to now is 3.1 secs Computing kpt #: 32 total cpu time spent up to now is 3.2 secs Computing kpt #: 33 total cpu time spent up to now is 3.3 secs Computing kpt #: 34 total cpu time spent up to now is 3.3 secs Computing kpt #: 35 total cpu time spent up to now is 3.4 secs Computing kpt #: 36 total cpu time spent up to now is 3.4 secs Computing kpt #: 37 total cpu time spent up to now is 3.5 secs Computing kpt #: 38 total cpu time spent up to now is 3.6 secs Computing kpt #: 39 total cpu time spent up to now is 3.6 secs Computing kpt #: 40 total cpu time spent up to now is 3.7 secs Computing kpt #: 41 total cpu time spent up to now is 3.8 secs Computing kpt #: 42 total cpu time spent up to now is 3.8 secs Computing kpt #: 43 total cpu time spent up to now is 3.9 secs Computing kpt #: 44 total cpu time spent up to now is 4.0 secs Computing kpt #: 45 total cpu time spent up to now is 4.0 secs Computing kpt #: 46 total cpu time spent up to now is 4.1 secs Computing kpt #: 47 total cpu time spent up to now is 4.1 secs Computing kpt #: 48 total cpu time spent up to now is 4.2 secs Computing kpt #: 49 total cpu time spent up to now is 4.2 secs Computing kpt #: 50 total cpu time spent up to now is 4.3 secs Computing kpt #: 51 total cpu time spent up to now is 4.4 secs Computing kpt #: 52 total cpu time spent up to now is 4.4 secs Computing kpt #: 53 total cpu time spent up to now is 4.5 secs Computing kpt #: 54 total cpu time spent up to now is 4.6 secs Computing kpt #: 55 total cpu time spent up to now is 4.6 secs Computing kpt #: 56 total cpu time spent up to now is 4.7 secs Computing kpt #: 57 total cpu time spent up to now is 4.7 secs Computing kpt #: 58 total cpu time spent up to now is 4.8 secs Computing kpt #: 59 total cpu time spent up to now is 4.8 secs Computing kpt #: 60 total cpu time spent up to now is 4.9 secs Computing kpt #: 61 total cpu time spent up to now is 4.9 secs Computing kpt #: 62 total cpu time spent up to now is 5.0 secs Computing kpt #: 63 total cpu time spent up to now is 5.0 secs Computing kpt #: 64 total cpu time spent up to now is 5.1 secs Computing kpt #: 65 total cpu time spent up to now is 5.1 secs Computing kpt #: 66 total cpu time spent up to now is 5.2 secs Computing kpt #: 67 total cpu time spent up to now is 5.3 secs Computing kpt #: 68 total cpu time spent up to now is 5.3 secs Computing kpt #: 69 total cpu time spent up to now is 5.3 secs Computing kpt #: 70 total cpu time spent up to now is 5.4 secs Computing kpt #: 71 total cpu time spent up to now is 5.4 secs Computing kpt #: 72 total cpu time spent up to now is 5.5 secs Computing kpt #: 73 total cpu time spent up to now is 5.5 secs Computing kpt #: 74 total cpu time spent up to now is 5.6 secs Computing kpt #: 75 total cpu time spent up to now is 5.6 secs Computing kpt #: 76 total cpu time spent up to now is 5.6 secs Computing kpt #: 77 total cpu time spent up to now is 5.7 secs Computing kpt #: 78 total cpu time spent up to now is 5.7 secs Computing kpt #: 79 total cpu time spent up to now is 5.7 secs Computing kpt #: 80 total cpu time spent up to now is 5.8 secs Computing kpt #: 81 total cpu time spent up to now is 5.8 secs Computing kpt #: 82 total cpu time spent up to now is 5.8 secs Computing kpt #: 83 total cpu time spent up to now is 5.9 secs Computing kpt #: 84 total cpu time spent up to now is 5.9 secs Computing kpt #: 85 total cpu time spent up to now is 5.9 secs Computing kpt #: 86 total cpu time spent up to now is 6.0 secs Computing kpt #: 87 total cpu time spent up to now is 6.0 secs Computing kpt #: 88 total cpu time spent up to now is 6.0 secs Computing kpt #: 89 total cpu time spent up to now is 6.1 secs Computing kpt #: 90 total cpu time spent up to now is 6.1 secs Computing kpt #: 91 total cpu time spent up to now is 6.1 secs Computing kpt #: 92 total cpu time spent up to now is 6.2 secs Computing kpt #: 93 total cpu time spent up to now is 6.2 secs Computing kpt #: 94 total cpu time spent up to now is 6.2 secs Computing kpt #: 95 total cpu time spent up to now is 6.3 secs Computing kpt #: 96 total cpu time spent up to now is 6.3 secs Computing kpt #: 97 total cpu time spent up to now is 6.3 secs Computing kpt #: 98 total cpu time spent up to now is 6.3 secs Computing kpt #: 99 total cpu time spent up to now is 6.4 secs Computing kpt #: 100 total cpu time spent up to now is 6.4 secs Computing kpt #: 101 total cpu time spent up to now is 6.4 secs Computing kpt #: 102 total cpu time spent up to now is 6.5 secs Computing kpt #: 103 total cpu time spent up to now is 6.5 secs Computing kpt #: 104 total cpu time spent up to now is 6.5 secs Computing kpt #: 105 total cpu time spent up to now is 6.6 secs Computing kpt #: 106 total cpu time spent up to now is 6.6 secs Computing kpt #: 107 total cpu time spent up to now is 6.6 secs Computing kpt #: 108 total cpu time spent up to now is 6.6 secs Computing kpt #: 109 total cpu time spent up to now is 6.7 secs Computing kpt #: 110 total cpu time spent up to now is 6.7 secs Computing kpt #: 111 total cpu time spent up to now is 6.7 secs Computing kpt #: 112 total cpu time spent up to now is 6.8 secs Computing kpt #: 113 total cpu time spent up to now is 6.8 secs Computing kpt #: 114 total cpu time spent up to now is 6.8 secs Computing kpt #: 115 total cpu time spent up to now is 6.9 secs Computing kpt #: 116 total cpu time spent up to now is 6.9 secs Computing kpt #: 117 total cpu time spent up to now is 6.9 secs Computing kpt #: 118 total cpu time spent up to now is 6.9 secs Computing kpt #: 119 total cpu time spent up to now is 7.0 secs Computing kpt #: 120 total cpu time spent up to now is 7.0 secs Computing kpt #: 121 total cpu time spent up to now is 7.0 secs Computing kpt #: 122 total cpu time spent up to now is 7.1 secs Computing kpt #: 123 total cpu time spent up to now is 7.1 secs Computing kpt #: 124 total cpu time spent up to now is 7.1 secs Computing kpt #: 125 total cpu time spent up to now is 7.1 secs Computing kpt #: 126 total cpu time spent up to now is 7.2 secs Computing kpt #: 127 total cpu time spent up to now is 7.2 secs Computing kpt #: 128 total cpu time spent up to now is 7.2 secs Computing kpt #: 129 total cpu time spent up to now is 7.3 secs Computing kpt #: 130 total cpu time spent up to now is 7.3 secs Computing kpt #: 131 total cpu time spent up to now is 7.3 secs Computing kpt #: 132 total cpu time spent up to now is 7.4 secs Computing kpt #: 133 total cpu time spent up to now is 7.4 secs Computing kpt #: 134 total cpu time spent up to now is 7.4 secs Computing kpt #: 135 total cpu time spent up to now is 7.5 secs Computing kpt #: 136 total cpu time spent up to now is 7.5 secs Computing kpt #: 137 total cpu time spent up to now is 7.5 secs Computing kpt #: 138 total cpu time spent up to now is 7.6 secs Computing kpt #: 139 total cpu time spent up to now is 7.6 secs Computing kpt #: 140 total cpu time spent up to now is 7.7 secs Computing kpt #: 141 total cpu time spent up to now is 7.7 secs Computing kpt #: 142 total cpu time spent up to now is 7.7 secs Computing kpt #: 143 total cpu time spent up to now is 7.8 secs Computing kpt #: 144 total cpu time spent up to now is 7.8 secs Computing kpt #: 145 total cpu time spent up to now is 7.8 secs Computing kpt #: 146 total cpu time spent up to now is 7.9 secs Computing kpt #: 147 total cpu time spent up to now is 7.9 secs Computing kpt #: 148 total cpu time spent up to now is 7.9 secs Computing kpt #: 149 total cpu time spent up to now is 8.0 secs Computing kpt #: 150 total cpu time spent up to now is 8.0 secs Computing kpt #: 151 total cpu time spent up to now is 8.0 secs Computing kpt #: 152 total cpu time spent up to now is 8.1 secs Computing kpt #: 153 total cpu time spent up to now is 8.1 secs Computing kpt #: 154 total cpu time spent up to now is 8.1 secs Computing kpt #: 155 total cpu time spent up to now is 8.2 secs Computing kpt #: 156 total cpu time spent up to now is 8.2 secs Computing kpt #: 157 total cpu time spent up to now is 8.2 secs Computing kpt #: 158 total cpu time spent up to now is 8.2 secs Computing kpt #: 159 total cpu time spent up to now is 8.3 secs Computing kpt #: 160 total cpu time spent up to now is 8.3 secs Computing kpt #: 161 total cpu time spent up to now is 8.3 secs Computing kpt #: 162 total cpu time spent up to now is 8.4 secs Computing kpt #: 163 total cpu time spent up to now is 8.4 secs Computing kpt #: 164 total cpu time spent up to now is 8.4 secs Computing kpt #: 165 total cpu time spent up to now is 8.5 secs Computing kpt #: 166 total cpu time spent up to now is 8.5 secs Computing kpt #: 167 total cpu time spent up to now is 8.5 secs Computing kpt #: 168 total cpu time spent up to now is 8.6 secs Computing kpt #: 169 total cpu time spent up to now is 8.6 secs Computing kpt #: 170 total cpu time spent up to now is 8.7 secs Computing kpt #: 171 total cpu time spent up to now is 8.7 secs Computing kpt #: 172 total cpu time spent up to now is 8.8 secs Computing kpt #: 173 total cpu time spent up to now is 8.8 secs Computing kpt #: 174 total cpu time spent up to now is 8.8 secs Computing kpt #: 175 total cpu time spent up to now is 8.9 secs Computing kpt #: 176 total cpu time spent up to now is 8.9 secs Computing kpt #: 177 total cpu time spent up to now is 8.9 secs Computing kpt #: 178 total cpu time spent up to now is 9.0 secs Computing kpt #: 179 total cpu time spent up to now is 9.0 secs Computing kpt #: 180 total cpu time spent up to now is 9.0 secs Computing kpt #: 181 total cpu time spent up to now is 9.1 secs Computing kpt #: 182 total cpu time spent up to now is 9.1 secs Computing kpt #: 183 total cpu time spent up to now is 9.1 secs Computing kpt #: 184 total cpu time spent up to now is 9.2 secs Computing kpt #: 185 total cpu time spent up to now is 9.2 secs Computing kpt #: 186 total cpu time spent up to now is 9.2 secs Computing kpt #: 187 total cpu time spent up to now is 9.3 secs Computing kpt #: 188 total cpu time spent up to now is 9.3 secs Computing kpt #: 189 total cpu time spent up to now is 9.3 secs Computing kpt #: 190 total cpu time spent up to now is 9.4 secs Computing kpt #: 191 total cpu time spent up to now is 9.4 secs Computing kpt #: 192 total cpu time spent up to now is 9.4 secs Computing kpt #: 193 total cpu time spent up to now is 9.5 secs Computing kpt #: 194 total cpu time spent up to now is 9.5 secs Computing kpt #: 195 total cpu time spent up to now is 9.5 secs Computing kpt #: 196 total cpu time spent up to now is 9.6 secs Computing kpt #: 197 total cpu time spent up to now is 9.6 secs Computing kpt #: 198 total cpu time spent up to now is 9.6 secs Computing kpt #: 199 total cpu time spent up to now is 9.7 secs Computing kpt #: 200 total cpu time spent up to now is 9.7 secs Computing kpt #: 201 total cpu time spent up to now is 9.8 secs Computing kpt #: 202 total cpu time spent up to now is 9.8 secs Computing kpt #: 203 total cpu time spent up to now is 9.8 secs Computing kpt #: 204 total cpu time spent up to now is 9.9 secs Computing kpt #: 205 total cpu time spent up to now is 9.9 secs Computing kpt #: 206 total cpu time spent up to now is 10.0 secs Computing kpt #: 207 total cpu time spent up to now is 10.0 secs Computing kpt #: 208 total cpu time spent up to now is 10.1 secs Computing kpt #: 209 total cpu time spent up to now is 10.1 secs Computing kpt #: 210 total cpu time spent up to now is 10.1 secs Computing kpt #: 211 total cpu time spent up to now is 10.2 secs Computing kpt #: 212 total cpu time spent up to now is 10.2 secs Computing kpt #: 213 total cpu time spent up to now is 10.3 secs Computing kpt #: 214 total cpu time spent up to now is 10.3 secs Computing kpt #: 215 total cpu time spent up to now is 10.4 secs Computing kpt #: 216 total cpu time spent up to now is 10.4 secs Computing kpt #: 217 total cpu time spent up to now is 10.5 secs Computing kpt #: 218 total cpu time spent up to now is 10.5 secs Computing kpt #: 219 total cpu time spent up to now is 10.6 secs Computing kpt #: 220 total cpu time spent up to now is 10.6 secs Computing kpt #: 221 total cpu time spent up to now is 10.7 secs Computing kpt #: 222 total cpu time spent up to now is 10.7 secs Computing kpt #: 223 total cpu time spent up to now is 10.8 secs Computing kpt #: 224 total cpu time spent up to now is 10.8 secs Computing kpt #: 225 total cpu time spent up to now is 10.9 secs Computing kpt #: 226 total cpu time spent up to now is 10.9 secs Computing kpt #: 227 total cpu time spent up to now is 11.0 secs Computing kpt #: 228 total cpu time spent up to now is 11.0 secs Computing kpt #: 229 total cpu time spent up to now is 11.1 secs Computing kpt #: 230 total cpu time spent up to now is 11.1 secs Computing kpt #: 231 total cpu time spent up to now is 11.1 secs Computing kpt #: 232 total cpu time spent up to now is 11.2 secs Computing kpt #: 233 total cpu time spent up to now is 11.2 secs Computing kpt #: 234 total cpu time spent up to now is 11.3 secs Computing kpt #: 235 total cpu time spent up to now is 11.3 secs Computing kpt #: 236 total cpu time spent up to now is 11.4 secs Computing kpt #: 237 total cpu time spent up to now is 11.4 secs Computing kpt #: 238 total cpu time spent up to now is 11.4 secs Computing kpt #: 239 total cpu time spent up to now is 11.5 secs Computing kpt #: 240 total cpu time spent up to now is 11.5 secs Computing kpt #: 241 total cpu time spent up to now is 11.6 secs Computing kpt #: 242 total cpu time spent up to now is 11.6 secs Computing kpt #: 243 total cpu time spent up to now is 11.7 secs Computing kpt #: 244 total cpu time spent up to now is 11.7 secs Computing kpt #: 245 total cpu time spent up to now is 11.7 secs Computing kpt #: 246 total cpu time spent up to now is 11.8 secs Computing kpt #: 247 total cpu time spent up to now is 11.8 secs Computing kpt #: 248 total cpu time spent up to now is 11.9 secs Computing kpt #: 249 total cpu time spent up to now is 11.9 secs Computing kpt #: 250 total cpu time spent up to now is 12.0 secs Computing kpt #: 251 total cpu time spent up to now is 12.0 secs Computing kpt #: 252 total cpu time spent up to now is 12.0 secs Computing kpt #: 253 total cpu time spent up to now is 12.1 secs Computing kpt #: 254 total cpu time spent up to now is 12.1 secs Computing kpt #: 255 total cpu time spent up to now is 12.2 secs Computing kpt #: 256 total cpu time spent up to now is 12.2 secs Computing kpt #: 257 total cpu time spent up to now is 12.2 secs Computing kpt #: 258 total cpu time spent up to now is 12.3 secs Computing kpt #: 259 total cpu time spent up to now is 12.3 secs Computing kpt #: 260 total cpu time spent up to now is 12.4 secs Computing kpt #: 261 total cpu time spent up to now is 12.4 secs Computing kpt #: 262 total cpu time spent up to now is 12.5 secs Computing kpt #: 263 total cpu time spent up to now is 12.5 secs Computing kpt #: 264 total cpu time spent up to now is 12.5 secs Computing kpt #: 265 total cpu time spent up to now is 12.6 secs Computing kpt #: 266 total cpu time spent up to now is 12.6 secs Computing kpt #: 267 total cpu time spent up to now is 12.7 secs Computing kpt #: 268 total cpu time spent up to now is 12.7 secs Computing kpt #: 269 total cpu time spent up to now is 12.7 secs Computing kpt #: 270 total cpu time spent up to now is 12.8 secs Computing kpt #: 271 total cpu time spent up to now is 12.8 secs Computing kpt #: 272 total cpu time spent up to now is 12.8 secs Computing kpt #: 273 total cpu time spent up to now is 12.9 secs Computing kpt #: 274 total cpu time spent up to now is 12.9 secs Computing kpt #: 275 total cpu time spent up to now is 13.0 secs Computing kpt #: 276 total cpu time spent up to now is 13.0 secs Computing kpt #: 277 total cpu time spent up to now is 13.0 secs Computing kpt #: 278 total cpu time spent up to now is 13.1 secs Computing kpt #: 279 total cpu time spent up to now is 13.1 secs Computing kpt #: 280 total cpu time spent up to now is 13.1 secs Computing kpt #: 281 total cpu time spent up to now is 13.2 secs Computing kpt #: 282 total cpu time spent up to now is 13.2 secs Computing kpt #: 283 total cpu time spent up to now is 13.3 secs Computing kpt #: 284 total cpu time spent up to now is 13.3 secs Computing kpt #: 285 total cpu time spent up to now is 13.3 secs Computing kpt #: 286 total cpu time spent up to now is 13.4 secs Computing kpt #: 287 total cpu time spent up to now is 13.4 secs Computing kpt #: 288 total cpu time spent up to now is 13.4 secs Computing kpt #: 289 total cpu time spent up to now is 13.5 secs Computing kpt #: 290 total cpu time spent up to now is 13.5 secs Computing kpt #: 291 total cpu time spent up to now is 13.5 secs Computing kpt #: 292 total cpu time spent up to now is 13.6 secs Computing kpt #: 293 total cpu time spent up to now is 13.6 secs Computing kpt #: 294 total cpu time spent up to now is 13.6 secs Computing kpt #: 295 total cpu time spent up to now is 13.7 secs Computing kpt #: 296 total cpu time spent up to now is 13.7 secs Computing kpt #: 297 total cpu time spent up to now is 13.7 secs Computing kpt #: 298 total cpu time spent up to now is 13.8 secs Computing kpt #: 299 total cpu time spent up to now is 13.8 secs Computing kpt #: 300 total cpu time spent up to now is 13.8 secs Computing kpt #: 301 total cpu time spent up to now is 13.9 secs Computing kpt #: 302 total cpu time spent up to now is 13.9 secs Computing kpt #: 303 total cpu time spent up to now is 13.9 secs Computing kpt #: 304 total cpu time spent up to now is 14.0 secs Computing kpt #: 305 total cpu time spent up to now is 14.0 secs Computing kpt #: 306 total cpu time spent up to now is 14.0 secs Computing kpt #: 307 total cpu time spent up to now is 14.1 secs Computing kpt #: 308 total cpu time spent up to now is 14.1 secs Computing kpt #: 309 total cpu time spent up to now is 14.1 secs Computing kpt #: 310 total cpu time spent up to now is 14.2 secs Computing kpt #: 311 total cpu time spent up to now is 14.2 secs Computing kpt #: 312 total cpu time spent up to now is 14.2 secs Computing kpt #: 313 total cpu time spent up to now is 14.3 secs Computing kpt #: 314 total cpu time spent up to now is 14.3 secs Computing kpt #: 315 total cpu time spent up to now is 14.3 secs Computing kpt #: 316 total cpu time spent up to now is 14.4 secs Computing kpt #: 317 total cpu time spent up to now is 14.4 secs Computing kpt #: 318 total cpu time spent up to now is 14.4 secs Computing kpt #: 319 total cpu time spent up to now is 14.5 secs Computing kpt #: 320 total cpu time spent up to now is 14.5 secs Computing kpt #: 321 total cpu time spent up to now is 14.5 secs Computing kpt #: 322 total cpu time spent up to now is 14.6 secs Computing kpt #: 323 total cpu time spent up to now is 14.6 secs Computing kpt #: 324 total cpu time spent up to now is 14.7 secs Computing kpt #: 325 total cpu time spent up to now is 14.7 secs Computing kpt #: 326 total cpu time spent up to now is 14.7 secs Computing kpt #: 327 total cpu time spent up to now is 14.8 secs Computing kpt #: 328 total cpu time spent up to now is 14.8 secs Computing kpt #: 329 total cpu time spent up to now is 14.8 secs Computing kpt #: 330 total cpu time spent up to now is 14.9 secs Computing kpt #: 331 total cpu time spent up to now is 14.9 secs Computing kpt #: 332 total cpu time spent up to now is 15.0 secs Computing kpt #: 333 total cpu time spent up to now is 15.0 secs Computing kpt #: 334 total cpu time spent up to now is 15.0 secs Computing kpt #: 335 total cpu time spent up to now is 15.1 secs Computing kpt #: 336 total cpu time spent up to now is 15.1 secs Computing kpt #: 337 total cpu time spent up to now is 15.1 secs Computing kpt #: 338 total cpu time spent up to now is 15.2 secs Computing kpt #: 339 total cpu time spent up to now is 15.2 secs Computing kpt #: 340 total cpu time spent up to now is 15.3 secs Computing kpt #: 341 total cpu time spent up to now is 15.3 secs Computing kpt #: 342 total cpu time spent up to now is 15.3 secs Computing kpt #: 343 total cpu time spent up to now is 15.4 secs Computing kpt #: 344 total cpu time spent up to now is 15.4 secs Computing kpt #: 345 total cpu time spent up to now is 15.4 secs Computing kpt #: 346 total cpu time spent up to now is 15.5 secs Computing kpt #: 347 total cpu time spent up to now is 15.5 secs Computing kpt #: 348 total cpu time spent up to now is 15.5 secs Computing kpt #: 349 total cpu time spent up to now is 15.6 secs Computing kpt #: 350 total cpu time spent up to now is 15.6 secs Computing kpt #: 351 total cpu time spent up to now is 15.7 secs Computing kpt #: 352 total cpu time spent up to now is 15.7 secs Computing kpt #: 353 total cpu time spent up to now is 15.7 secs Computing kpt #: 354 total cpu time spent up to now is 15.8 secs Computing kpt #: 355 total cpu time spent up to now is 15.8 secs Computing kpt #: 356 total cpu time spent up to now is 15.8 secs Computing kpt #: 357 total cpu time spent up to now is 15.9 secs Computing kpt #: 358 total cpu time spent up to now is 15.9 secs Computing kpt #: 359 total cpu time spent up to now is 15.9 secs Computing kpt #: 360 total cpu time spent up to now is 15.9 secs Computing kpt #: 361 total cpu time spent up to now is 16.0 secs Computing kpt #: 362 total cpu time spent up to now is 16.0 secs Computing kpt #: 363 total cpu time spent up to now is 16.0 secs Computing kpt #: 364 total cpu time spent up to now is 16.1 secs Computing kpt #: 365 total cpu time spent up to now is 16.1 secs Computing kpt #: 366 total cpu time spent up to now is 16.1 secs Computing kpt #: 367 total cpu time spent up to now is 16.2 secs Computing kpt #: 368 total cpu time spent up to now is 16.2 secs Computing kpt #: 369 total cpu time spent up to now is 16.2 secs Computing kpt #: 370 total cpu time spent up to now is 16.3 secs Computing kpt #: 371 total cpu time spent up to now is 16.3 secs Computing kpt #: 372 total cpu time spent up to now is 16.4 secs Computing kpt #: 373 total cpu time spent up to now is 16.4 secs Computing kpt #: 374 total cpu time spent up to now is 16.4 secs Computing kpt #: 375 total cpu time spent up to now is 16.5 secs Computing kpt #: 376 total cpu time spent up to now is 16.5 secs Computing kpt #: 377 total cpu time spent up to now is 16.5 secs Computing kpt #: 378 total cpu time spent up to now is 16.6 secs Computing kpt #: 379 total cpu time spent up to now is 16.6 secs Computing kpt #: 380 total cpu time spent up to now is 16.6 secs Computing kpt #: 381 total cpu time spent up to now is 16.7 secs Computing kpt #: 382 total cpu time spent up to now is 16.7 secs Computing kpt #: 383 total cpu time spent up to now is 16.7 secs Computing kpt #: 384 total cpu time spent up to now is 16.8 secs Computing kpt #: 385 total cpu time spent up to now is 16.8 secs Computing kpt #: 386 total cpu time spent up to now is 16.8 secs Computing kpt #: 387 total cpu time spent up to now is 16.9 secs Computing kpt #: 388 total cpu time spent up to now is 16.9 secs Computing kpt #: 389 total cpu time spent up to now is 16.9 secs Computing kpt #: 390 total cpu time spent up to now is 16.9 secs Computing kpt #: 391 total cpu time spent up to now is 17.0 secs Computing kpt #: 392 total cpu time spent up to now is 17.0 secs Computing kpt #: 393 total cpu time spent up to now is 17.0 secs Computing kpt #: 394 total cpu time spent up to now is 17.1 secs Computing kpt #: 395 total cpu time spent up to now is 17.1 secs Computing kpt #: 396 total cpu time spent up to now is 17.1 secs Computing kpt #: 397 total cpu time spent up to now is 17.2 secs Computing kpt #: 398 total cpu time spent up to now is 17.2 secs Computing kpt #: 399 total cpu time spent up to now is 17.2 secs Computing kpt #: 400 total cpu time spent up to now is 17.3 secs Computing kpt #: 401 total cpu time spent up to now is 17.3 secs Computing kpt #: 402 total cpu time spent up to now is 17.3 secs Computing kpt #: 403 total cpu time spent up to now is 17.4 secs Computing kpt #: 404 total cpu time spent up to now is 17.4 secs Computing kpt #: 405 total cpu time spent up to now is 17.5 secs Computing kpt #: 406 total cpu time spent up to now is 17.5 secs Computing kpt #: 407 total cpu time spent up to now is 17.5 secs Computing kpt #: 408 total cpu time spent up to now is 17.6 secs Computing kpt #: 409 total cpu time spent up to now is 17.6 secs Computing kpt #: 410 total cpu time spent up to now is 17.7 secs Computing kpt #: 411 total cpu time spent up to now is 17.7 secs Computing kpt #: 412 total cpu time spent up to now is 17.7 secs Computing kpt #: 413 total cpu time spent up to now is 17.8 secs Computing kpt #: 414 total cpu time spent up to now is 17.8 secs Computing kpt #: 415 total cpu time spent up to now is 17.8 secs Computing kpt #: 416 total cpu time spent up to now is 17.9 secs Computing kpt #: 417 total cpu time spent up to now is 17.9 secs Computing kpt #: 418 total cpu time spent up to now is 18.0 secs Computing kpt #: 419 total cpu time spent up to now is 18.0 secs Computing kpt #: 420 total cpu time spent up to now is 18.0 secs Computing kpt #: 421 total cpu time spent up to now is 18.1 secs Computing kpt #: 422 total cpu time spent up to now is 18.1 secs Computing kpt #: 423 total cpu time spent up to now is 18.2 secs Computing kpt #: 424 total cpu time spent up to now is 18.2 secs Computing kpt #: 425 total cpu time spent up to now is 18.2 secs Computing kpt #: 426 total cpu time spent up to now is 18.3 secs Computing kpt #: 427 total cpu time spent up to now is 18.3 secs Computing kpt #: 428 total cpu time spent up to now is 18.3 secs Computing kpt #: 429 total cpu time spent up to now is 18.4 secs Computing kpt #: 430 total cpu time spent up to now is 18.4 secs Computing kpt #: 431 total cpu time spent up to now is 18.5 secs Computing kpt #: 432 total cpu time spent up to now is 18.5 secs Computing kpt #: 433 total cpu time spent up to now is 18.5 secs Computing kpt #: 434 total cpu time spent up to now is 18.6 secs Computing kpt #: 435 total cpu time spent up to now is 18.6 secs Computing kpt #: 436 total cpu time spent up to now is 18.6 secs Computing kpt #: 437 total cpu time spent up to now is 18.7 secs Computing kpt #: 438 total cpu time spent up to now is 18.7 secs Computing kpt #: 439 total cpu time spent up to now is 18.8 secs Computing kpt #: 440 total cpu time spent up to now is 18.8 secs Computing kpt #: 441 total cpu time spent up to now is 18.8 secs Computing kpt #: 442 total cpu time spent up to now is 18.9 secs Computing kpt #: 443 total cpu time spent up to now is 18.9 secs Computing kpt #: 444 total cpu time spent up to now is 18.9 secs Computing kpt #: 445 total cpu time spent up to now is 19.0 secs Computing kpt #: 446 total cpu time spent up to now is 19.0 secs Computing kpt #: 447 total cpu time spent up to now is 19.0 secs Computing kpt #: 448 total cpu time spent up to now is 19.1 secs Computing kpt #: 449 total cpu time spent up to now is 19.1 secs Computing kpt #: 450 total cpu time spent up to now is 19.1 secs Computing kpt #: 451 total cpu time spent up to now is 19.2 secs Computing kpt #: 452 total cpu time spent up to now is 19.2 secs Computing kpt #: 453 total cpu time spent up to now is 19.2 secs Computing kpt #: 454 total cpu time spent up to now is 19.3 secs Computing kpt #: 455 total cpu time spent up to now is 19.3 secs Computing kpt #: 456 total cpu time spent up to now is 19.3 secs Computing kpt #: 457 total cpu time spent up to now is 19.4 secs Computing kpt #: 458 total cpu time spent up to now is 19.4 secs Computing kpt #: 459 total cpu time spent up to now is 19.5 secs Computing kpt #: 460 total cpu time spent up to now is 19.5 secs Computing kpt #: 461 total cpu time spent up to now is 19.5 secs Computing kpt #: 462 total cpu time spent up to now is 19.6 secs Computing kpt #: 463 total cpu time spent up to now is 19.6 secs Computing kpt #: 464 total cpu time spent up to now is 19.6 secs Computing kpt #: 465 total cpu time spent up to now is 19.7 secs Computing kpt #: 466 total cpu time spent up to now is 19.7 secs Computing kpt #: 467 total cpu time spent up to now is 19.7 secs Computing kpt #: 468 total cpu time spent up to now is 19.8 secs Computing kpt #: 469 total cpu time spent up to now is 19.8 secs Computing kpt #: 470 total cpu time spent up to now is 19.9 secs Computing kpt #: 471 total cpu time spent up to now is 19.9 secs Computing kpt #: 472 total cpu time spent up to now is 19.9 secs Computing kpt #: 473 total cpu time spent up to now is 20.0 secs Computing kpt #: 474 total cpu time spent up to now is 20.0 secs Computing kpt #: 475 total cpu time spent up to now is 20.0 secs Computing kpt #: 476 total cpu time spent up to now is 20.1 secs Computing kpt #: 477 total cpu time spent up to now is 20.1 secs Computing kpt #: 478 total cpu time spent up to now is 20.2 secs Computing kpt #: 479 total cpu time spent up to now is 20.2 secs Computing kpt #: 480 total cpu time spent up to now is 20.2 secs Computing kpt #: 481 total cpu time spent up to now is 20.3 secs Computing kpt #: 482 total cpu time spent up to now is 20.3 secs Computing kpt #: 483 total cpu time spent up to now is 20.3 secs Computing kpt #: 484 total cpu time spent up to now is 20.4 secs Computing kpt #: 485 total cpu time spent up to now is 20.4 secs Computing kpt #: 486 total cpu time spent up to now is 20.5 secs Computing kpt #: 487 total cpu time spent up to now is 20.5 secs Computing kpt #: 488 total cpu time spent up to now is 20.5 secs Computing kpt #: 489 total cpu time spent up to now is 20.6 secs Computing kpt #: 490 total cpu time spent up to now is 20.6 secs Computing kpt #: 491 total cpu time spent up to now is 20.6 secs Computing kpt #: 492 total cpu time spent up to now is 20.7 secs Computing kpt #: 493 total cpu time spent up to now is 20.7 secs Computing kpt #: 494 total cpu time spent up to now is 20.7 secs Computing kpt #: 495 total cpu time spent up to now is 20.8 secs Computing kpt #: 496 total cpu time spent up to now is 20.8 secs Computing kpt #: 497 total cpu time spent up to now is 20.8 secs Computing kpt #: 498 total cpu time spent up to now is 20.8 secs Computing kpt #: 499 total cpu time spent up to now is 20.9 secs Computing kpt #: 500 total cpu time spent up to now is 20.9 secs Computing kpt #: 501 total cpu time spent up to now is 20.9 secs Computing kpt #: 502 total cpu time spent up to now is 21.0 secs Computing kpt #: 503 total cpu time spent up to now is 21.0 secs Computing kpt #: 504 total cpu time spent up to now is 21.0 secs Computing kpt #: 505 total cpu time spent up to now is 21.1 secs Computing kpt #: 506 total cpu time spent up to now is 21.1 secs Computing kpt #: 507 total cpu time spent up to now is 21.1 secs Computing kpt #: 508 total cpu time spent up to now is 21.1 secs Computing kpt #: 509 total cpu time spent up to now is 21.2 secs Computing kpt #: 510 total cpu time spent up to now is 21.2 secs Computing kpt #: 511 total cpu time spent up to now is 21.2 secs Computing kpt #: 512 total cpu time spent up to now is 21.3 secs Computing kpt #: 513 total cpu time spent up to now is 21.3 secs Computing kpt #: 514 total cpu time spent up to now is 21.3 secs Computing kpt #: 515 total cpu time spent up to now is 21.4 secs Computing kpt #: 516 total cpu time spent up to now is 21.4 secs Computing kpt #: 517 total cpu time spent up to now is 21.4 secs Computing kpt #: 518 total cpu time spent up to now is 21.5 secs Computing kpt #: 519 total cpu time spent up to now is 21.5 secs Computing kpt #: 520 total cpu time spent up to now is 21.5 secs Computing kpt #: 521 total cpu time spent up to now is 21.6 secs Computing kpt #: 522 total cpu time spent up to now is 21.6 secs Computing kpt #: 523 total cpu time spent up to now is 21.6 secs Computing kpt #: 524 total cpu time spent up to now is 21.7 secs Computing kpt #: 525 total cpu time spent up to now is 21.7 secs Computing kpt #: 526 total cpu time spent up to now is 21.7 secs ethr = 1.25E-07, avg # of iterations = 9.0 total cpu time spent up to now is 21.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 531 PWs) bands (ev): -6.0314 -6.0314 12.1350 12.1350 12.1602 12.1602 12.1602 12.1602 18.7891 18.7891 24.5547 24.5547 24.5547 24.5547 24.5554 24.5554 k = 0.0063-0.0036 0.0051 ( 531 PWs) bands (ev): -6.0302 -6.0302 12.1325 12.1325 12.1569 12.1569 12.1585 12.1585 18.7930 18.7930 24.5456 24.5456 24.5577 24.5577 24.5582 24.5582 k = 0.0125-0.0072 0.0102 ( 531 PWs) bands (ev): -6.0268 -6.0268 12.1240 12.1240 12.1477 12.1477 12.1534 12.1534 18.8046 18.8046 24.5181 24.5181 24.5665 24.5665 24.5671 24.5671 k = 0.0187-0.0108 0.0153 ( 531 PWs) bands (ev): -6.0211 -6.0211 12.1077 12.1077 12.1350 12.1350 12.1450 12.1450 18.8239 18.8239 24.4729 24.4729 24.5813 24.5813 24.5819 24.5819 k = 0.0250-0.0144 0.0204 ( 531 PWs) bands (ev): -6.0131 -6.0131 12.0817 12.0817 12.1204 12.1204 12.1332 12.1332 18.8507 18.8507 24.4113 24.4113 24.6019 24.6019 24.6026 24.6026 k = 0.0312-0.0180 0.0255 ( 531 PWs) bands (ev): -6.0028 -6.0028 12.0465 12.0465 12.1038 12.1038 12.1181 12.1181 18.8848 18.8848 24.3346 24.3346 24.6283 24.6283 24.6291 24.6291 k = 0.0375-0.0217 0.0306 ( 531 PWs) bands (ev): -5.9902 -5.9902 12.0031 12.0031 12.0848 12.0848 12.0999 12.0999 18.9257 18.9257 24.2446 24.2446 24.6603 24.6603 24.6613 24.6613 k = 0.0437-0.0253 0.0357 ( 531 PWs) bands (ev): -5.9754 -5.9754 11.9521 11.9521 12.0629 12.0629 12.0784 12.0784 18.9734 18.9734 24.1428 24.1428 24.6979 24.6979 24.6991 24.6991 k = 0.0500-0.0289 0.0408 ( 531 PWs) bands (ev): -5.9582 -5.9582 11.8940 11.8940 12.0381 12.0381 12.0540 12.0540 19.0273 19.0273 24.0309 24.0309 24.7409 24.7409 24.7423 24.7423 k = 0.0563-0.0325 0.0459 ( 532 PWs) bands (ev): -5.9389 -5.9389 11.8291 11.8291 12.0105 12.0105 12.0266 12.0266 19.0871 19.0871 23.9104 23.9104 24.7892 24.7892 24.7909 24.7909 k = 0.0625-0.0361 0.0510 ( 532 PWs) bands (ev): -5.9172 -5.9172 11.7580 11.7580 11.9801 11.9801 11.9963 11.9963 19.1523 19.1523 23.7826 23.7826 24.8426 24.8426 24.8446 24.8446 k = 0.0688-0.0397 0.0561 ( 532 PWs) bands (ev): -5.8934 -5.8934 11.6810 11.6810 11.9471 11.9471 11.9633 11.9633 19.2226 19.2226 23.6490 23.6490 24.9010 24.9010 24.9033 24.9033 k = 0.0750-0.0433 0.0612 ( 532 PWs) bands (ev): -5.8673 -5.8673 11.5985 11.5985 11.9114 11.9114 11.9277 11.9277 19.2974 19.2974 23.5105 23.5105 24.9642 24.9642 24.9668 24.9668 k = 0.0813-0.0469 0.0663 ( 532 PWs) bands (ev): -5.8389 -5.8389 11.5109 11.5109 11.8733 11.8733 11.8896 11.8896 19.3763 19.3763 23.3682 23.3682 25.0319 25.0319 25.0349 25.0349 k = 0.0875-0.0505 0.0714 ( 532 PWs) bands (ev): -5.8084 -5.8084 11.4186 11.4186 11.8328 11.8328 11.8492 11.8492 19.4589 19.4589 23.2230 23.2230 25.1039 25.1039 25.1073 25.1073 k = 0.0938-0.0541 0.0765 ( 532 PWs) bands (ev): -5.7756 -5.7756 11.3220 11.3220 11.7902 11.7902 11.8066 11.8066 19.5447 19.5447 23.0755 23.0755 25.1801 25.1801 25.1840 25.1840 k = 0.1000-0.0577 0.0816 ( 532 PWs) bands (ev): -5.7407 -5.7407 11.2213 11.2213 11.7455 11.7455 11.7619 11.7619 19.6332 19.6332 22.9264 22.9264 25.2602 25.2602 25.2646 25.2646 k = 0.1062-0.0613 0.0868 ( 532 PWs) bands (ev): -5.7036 -5.7036 11.1169 11.1169 11.6988 11.6988 11.7153 11.7153 19.7239 19.7239 22.7762 22.7762 25.3440 25.3440 25.3489 25.3489 k = 0.1125-0.0650 0.0919 ( 532 PWs) bands (ev): -5.6643 -5.6643 11.0091 11.0091 11.6505 11.6505 11.6669 11.6669 19.8164 19.8164 22.6255 22.6255 25.4313 25.4313 25.4366 25.4366 k = 0.1187-0.0686 0.0970 ( 524 PWs) bands (ev): -5.6228 -5.6228 10.8985 10.8985 11.6005 11.6005 11.6169 11.6169 19.9103 19.9103 22.4746 22.4746 25.5218 25.5218 25.5277 25.5277 k = 0.1250-0.0722 0.1021 ( 524 PWs) bands (ev): -5.5793 -5.5793 10.7848 10.7848 11.5490 11.5490 11.5654 11.5654 20.0048 20.0048 22.3239 22.3239 25.6152 25.6152 25.6217 25.6217 k = 0.1313-0.0758 0.1072 ( 524 PWs) bands (ev): -5.5336 -5.5336 10.6684 10.6684 11.4961 11.4961 11.5126 11.5126 20.0995 20.0995 22.1737 22.1737 25.7113 25.7113 25.7185 25.7185 k = 0.1375-0.0794 0.1123 ( 524 PWs) bands (ev): -5.4859 -5.4859 10.5498 10.5498 11.4420 11.4420 11.4585 11.4585 20.1937 20.1937 22.0243 22.0243 25.8098 25.8098 25.8178 25.8178 k = 0.1437-0.0830 0.1174 ( 524 PWs) bands (ev): -5.4361 -5.4361 10.4290 10.4290 11.3869 11.3869 11.4034 11.4034 20.2869 20.2869 21.8758 21.8758 25.8412 25.8412 25.9123 25.9123 k = 0.1500-0.0866 0.1225 ( 524 PWs) bands (ev): -5.3843 -5.3843 10.3063 10.3063 11.3308 11.3308 11.3473 11.3473 20.3782 20.3782 21.7286 21.7286 25.6441 25.6441 26.0142 26.0142 k = 0.1562-0.0902 0.1276 ( 524 PWs) bands (ev): -5.3304 -5.3304 10.1819 10.1819 11.2739 11.2739 11.2904 11.2904 20.4670 20.4670 21.5827 21.5827 25.4522 25.4522 26.1189 26.1189 k = 0.1625-0.0938 0.1327 ( 516 PWs) bands (ev): -5.2745 -5.2745 10.0560 10.0560 11.2164 11.2164 11.2330 11.2330 20.5523 20.5523 21.4383 21.4383 25.2673 25.2673 26.2252 26.2252 k = 0.1688-0.0974 0.1378 ( 516 PWs) bands (ev): -5.2167 -5.2167 9.9286 9.9286 11.1583 11.1583 11.1748 11.1748 20.6330 20.6330 21.2956 21.2956 25.0904 25.0904 26.3328 26.3328 k = 0.1750-0.1010 0.1429 ( 520 PWs) bands (ev): -5.1570 -5.1570 9.7999 9.7999 11.0996 11.0996 11.1162 11.1162 20.7077 20.7077 21.1547 21.1547 24.9227 24.9227 26.4415 26.4416 k = 0.1812-0.1046 0.1480 ( 520 PWs) bands (ev): -5.0953 -5.0953 9.6701 9.6701 11.0407 11.0407 11.0573 11.0573 20.7756 20.7756 21.0157 21.0157 24.7654 24.7654 26.5512 26.5512 k = 0.1875-0.1083 0.1531 ( 524 PWs) bands (ev): -5.0318 -5.0318 9.5393 9.5393 10.9816 10.9816 10.9982 10.9982 20.8347 20.8347 20.8787 20.8787 24.6201 24.6201 26.6616 26.6616 k = 0.1938-0.1119 0.1582 ( 524 PWs) bands (ev): -4.9664 -4.9664 9.4078 9.4078 10.9223 10.9223 10.9389 10.9389 20.7437 20.7437 20.8838 20.8838 24.4883 24.4883 26.7725 26.7725 k = 0.2000-0.1155 0.1633 ( 524 PWs) bands (ev): -4.8993 -4.8993 9.2755 9.2755 10.8631 10.8631 10.8797 10.8797 20.6109 20.6109 20.9210 20.9210 24.3716 24.3716 26.8837 26.8838 k = 0.2062-0.1191 0.1684 ( 524 PWs) bands (ev): -4.8303 -4.8303 9.1426 9.1426 10.8039 10.8039 10.8206 10.8206 20.4804 20.4804 20.9447 20.9447 24.2716 24.2716 26.9952 26.9952 k = 0.2125-0.1227 0.1735 ( 524 PWs) bands (ev): -4.7596 -4.7596 9.0092 9.0092 10.7449 10.7449 10.7616 10.7616 20.3521 20.3521 20.9536 20.9536 24.1899 24.1899 27.1066 27.1066 k = 0.2188-0.1263 0.1786 ( 524 PWs) bands (ev): -4.6873 -4.6873 8.8754 8.8754 10.6861 10.6861 10.7029 10.7029 20.2261 20.2261 20.9464 20.9464 24.1273 24.1273 27.2178 27.2178 k = 0.2250-0.1299 0.1837 ( 524 PWs) bands (ev): -4.6133 -4.6133 8.7412 8.7412 10.6278 10.6278 10.6445 10.6445 20.1025 20.1025 20.9228 20.9228 24.0845 24.0845 27.3288 27.3288 k = 0.2313-0.1335 0.1888 ( 524 PWs) bands (ev): -4.5377 -4.5377 8.6069 8.6069 10.5698 10.5698 10.5866 10.5866 19.9813 19.9813 20.8828 20.8828 24.0613 24.0613 27.4393 27.4393 k = 0.2375-0.1371 0.1939 ( 524 PWs) bands (ev): -4.4606 -4.4606 8.4723 8.4723 10.5124 10.5124 10.5292 10.5292 19.8627 19.8627 20.8272 20.8272 24.0570 24.0570 27.5493 27.5493 k = 0.2437-0.1407 0.1990 ( 524 PWs) bands (ev): -4.3820 -4.3820 8.3377 8.3377 10.4555 10.4555 10.4724 10.4724 19.7465 19.7465 20.7572 20.7572 24.0702 24.0702 27.6586 27.6586 k = 0.2500-0.1443 0.2041 ( 528 PWs) bands (ev): -4.3019 -4.3019 8.2030 8.2030 10.3993 10.3993 10.4161 10.4161 19.6328 19.6328 20.6745 20.6745 24.0992 24.0992 27.7670 27.7670 k = 0.2562-0.1479 0.2092 ( 508 PWs) bands (ev): -4.2205 -4.2205 8.0688 8.0688 10.3440 10.3440 10.3609 10.3609 19.5217 19.5217 20.5811 20.5811 24.1428 24.1428 27.8751 27.8751 k = 0.2625-0.1516 0.2143 ( 508 PWs) bands (ev): -4.1378 -4.1378 7.9344 7.9344 10.2893 10.2893 10.3063 10.3063 19.4132 19.4132 20.4787 20.4787 24.1981 24.1981 27.9817 27.9817 k = 0.2687-0.1552 0.2194 ( 508 PWs) bands (ev): -4.0538 -4.0538 7.8003 7.8003 10.2354 10.2354 10.2524 10.2524 19.3074 19.3074 20.3691 20.3691 24.2636 24.2636 28.0872 28.0872 k = 0.2750-0.1588 0.2245 ( 508 PWs) bands (ev): -3.9687 -3.9687 7.6665 7.6665 10.1825 10.1825 10.1995 10.1995 19.2041 19.2041 20.2541 20.2541 24.3377 24.3377 28.1914 28.1914 k = 0.2812-0.1624 0.2296 ( 508 PWs) bands (ev): -3.8825 -3.8825 7.5331 7.5331 10.1305 10.1305 10.1475 10.1475 19.1036 19.1036 20.1350 20.1350 24.4190 24.4190 28.2945 28.2945 k = 0.2875-0.1660 0.2347 ( 508 PWs) bands (ev): -3.7952 -3.7952 7.4002 7.4002 10.0794 10.0794 10.0965 10.0965 19.0057 19.0057 20.0131 20.0131 24.5062 24.5062 28.3962 28.3962 k = 0.2938-0.1696 0.2398 ( 508 PWs) bands (ev): -3.7070 -3.7070 7.2679 7.2679 10.0295 10.0295 10.0466 10.0466 18.9105 18.9105 19.8895 19.8895 24.5981 24.5981 28.4964 28.4964 k = 0.3000-0.1732 0.2449 ( 508 PWs) bands (ev): -3.6180 -3.6180 7.1362 7.1362 9.9806 9.9806 9.9978 9.9978 18.8181 18.8181 19.7650 19.7650 24.6938 24.6938 28.5952 28.5954 k = 0.3063-0.1768 0.2501 ( 508 PWs) bands (ev): -3.5283 -3.5283 7.0053 7.0053 9.9329 9.9329 9.9501 9.9501 18.7284 18.7284 19.6406 19.6406 24.7925 24.7925 28.6924 28.6924 k = 0.3125-0.1804 0.2552 ( 508 PWs) bands (ev): -3.4379 -3.4379 6.8752 6.8752 9.8863 9.8863 9.9036 9.9036 18.6414 18.6414 19.5168 19.5168 24.8934 24.8934 28.7880 28.7880 k = 0.3187-0.1840 0.2603 ( 512 PWs) bands (ev): -3.3470 -3.3470 6.7461 6.7461 9.8410 9.8410 9.8582 9.8582 18.5572 18.5572 19.3942 19.3942 24.9958 24.9958 28.8819 28.8819 k = 0.3250-0.1876 0.2654 ( 512 PWs) bands (ev): -3.2557 -3.2557 6.6181 6.6181 9.7969 9.7969 9.8142 9.8142 18.4757 18.4757 19.2732 19.2732 25.0994 25.0994 28.9739 28.9739 k = 0.3312-0.1912 0.2705 ( 512 PWs) bands (ev): -3.1642 -3.1642 6.4912 6.4912 9.7541 9.7541 9.7714 9.7714 18.3970 18.3970 19.1544 19.1544 25.2036 25.2036 29.0641 29.0643 k = 0.3375-0.1949 0.2756 ( 512 PWs) bands (ev): -3.0725 -3.0725 6.3657 6.3657 9.7126 9.7126 9.7300 9.7300 18.3212 18.3212 19.0380 19.0380 25.3079 25.3079 29.1524 29.1525 k = 0.3438-0.1985 0.2807 ( 512 PWs) bands (ev): -2.9809 -2.9809 6.2416 6.2416 9.6725 9.6725 9.6899 9.6899 18.2481 18.2481 18.9244 18.9244 25.4119 25.4119 29.2386 29.2386 k = 0.3500-0.2021 0.2858 ( 512 PWs) bands (ev): -2.8894 -2.8894 6.1191 6.1191 9.6337 9.6337 9.6512 9.6512 18.1778 18.1778 18.8138 18.8138 25.5153 25.5153 29.3228 29.3228 k = 0.3563-0.2057 0.2909 ( 512 PWs) bands (ev): -2.7983 -2.7983 5.9984 5.9984 9.5963 9.5963 9.6138 9.6138 18.1104 18.1104 18.7065 18.7065 25.6177 25.6177 29.4047 29.4047 k = 0.3625-0.2093 0.2960 ( 504 PWs) bands (ev): -2.7077 -2.7077 5.8797 5.8797 9.5605 9.5605 9.5781 9.5781 18.0458 18.0458 18.6026 18.6026 25.7190 25.7190 29.4846 29.4847 k = 0.3688-0.2129 0.3011 ( 504 PWs) bands (ev): -2.6179 -2.6179 5.7630 5.7630 9.5260 9.5260 9.5436 9.5436 17.9840 17.9840 18.5024 18.5024 25.8184 25.8184 29.5618 29.5618 k = 0.3750-0.2165 0.3062 ( 504 PWs) bands (ev): -2.5290 -2.5290 5.6487 5.6487 9.4930 9.4930 9.5106 9.5106 17.9250 17.9250 18.4060 18.4060 25.9157 25.9157 29.6365 29.6365 k = 0.3812-0.2201 0.3113 ( 504 PWs) bands (ev): -2.4414 -2.4414 5.5369 5.5369 9.4615 9.4615 9.4791 9.4791 17.8689 17.8689 18.3136 18.3136 26.0108 26.0108 29.7086 29.7086 k = 0.3875-0.2237 0.3164 ( 500 PWs) bands (ev): -2.3551 -2.3551 5.4279 5.4279 9.4315 9.4315 9.4492 9.4492 17.8156 17.8156 18.2253 18.2253 26.1035 26.1035 29.7780 29.7780 k = 0.3937-0.2273 0.3215 ( 500 PWs) bands (ev): -2.2706 -2.2706 5.3219 5.3219 9.4030 9.4030 9.4207 9.4207 17.7652 17.7652 18.1412 18.1412 26.1931 26.1931 29.8446 29.8446 k = 0.4000-0.2309 0.3266 ( 508 PWs) bands (ev): -2.1881 -2.1881 5.2192 5.2192 9.3759 9.3759 9.3936 9.3936 17.7176 17.7176 18.0614 18.0614 26.2793 26.2793 29.9081 29.9082 k = 0.4062-0.2345 0.3317 ( 504 PWs) bands (ev): -2.1080 -2.1080 5.1201 5.1201 9.3505 9.3505 9.3683 9.3683 17.6729 17.6729 17.9860 17.9860 26.3626 26.3626 29.9687 29.9688 k = 0.4125-0.2382 0.3368 ( 504 PWs) bands (ev): -2.0304 -2.0304 5.0249 5.0249 9.3267 9.3267 9.3445 9.3445 17.6311 17.6311 17.9151 17.9151 26.4418 26.4418 30.0261 30.0261 k = 0.4188-0.2418 0.3419 ( 504 PWs) bands (ev): -1.9558 -1.9558 4.9339 4.9339 9.3045 9.3045 9.3223 9.3223 17.5921 17.5921 17.8489 17.8489 26.5169 26.5169 30.0802 30.0803 k = 0.4250-0.2454 0.3470 ( 504 PWs) bands (ev): -1.8845 -1.8845 4.8476 4.8476 9.2839 9.2839 9.3017 9.3017 17.5561 17.5561 17.7872 17.7872 26.5878 26.5878 30.1309 30.1309 k = 0.4313-0.2490 0.3521 ( 504 PWs) bands (ev): -1.8170 -1.8170 4.7661 4.7661 9.2649 9.2649 9.2827 9.2827 17.5229 17.5229 17.7303 17.7303 26.6541 26.6541 30.1780 30.1780 k = 0.4375-0.2526 0.3572 ( 508 PWs) bands (ev): -1.7535 -1.7535 4.6900 4.6900 9.2475 9.2475 9.2653 9.2653 17.4925 17.4925 17.6782 17.6782 26.7154 26.7154 30.2215 30.2215 k = 0.4437-0.2562 0.3623 ( 508 PWs) bands (ev): -1.6944 -1.6944 4.6196 4.6196 9.2317 9.2317 9.2496 9.2496 17.4651 17.4651 17.6309 17.6309 26.7719 26.7719 30.2612 30.2612 k = 0.4500-0.2598 0.3674 ( 508 PWs) bands (ev): -1.6403 -1.6403 4.5553 4.5553 9.2176 9.2176 9.2355 9.2355 17.4405 17.4405 17.5884 17.5884 26.8231 26.8231 30.2971 30.2971 k = 0.4562-0.2634 0.3725 ( 508 PWs) bands (ev): -1.5914 -1.5914 4.4974 4.4974 9.2051 9.2051 9.2230 9.2230 17.4189 17.4189 17.5509 17.5509 26.8688 26.8688 30.3290 30.3290 k = 0.4625-0.2670 0.3776 ( 508 PWs) bands (ev): -1.5481 -1.5481 4.4464 4.4464 9.1943 9.1943 9.2122 9.2122 17.4001 17.4001 17.5183 17.5183 26.9089 26.9089 30.3568 30.3568 k = 0.4688-0.2706 0.3827 ( 516 PWs) bands (ev): -1.5108 -1.5108 4.4025 4.4025 9.1850 9.1850 9.2029 9.2029 17.3842 17.3842 17.4907 17.4907 26.9430 26.9430 30.3802 30.3802 k = 0.4750-0.2742 0.3878 ( 516 PWs) bands (ev): -1.4798 -1.4798 4.3662 4.3662 9.1775 9.1775 9.1954 9.1954 17.3712 17.3712 17.4680 17.4680 26.9713 26.9713 30.3997 30.3997 k = 0.4813-0.2778 0.3929 ( 516 PWs) bands (ev): -1.4554 -1.4554 4.3376 4.3376 9.1717 9.1717 9.1896 9.1896 17.3610 17.3610 17.4504 17.4504 26.9933 26.9933 30.4149 30.4149 k = 0.4875-0.2815 0.3980 ( 516 PWs) bands (ev): -1.4378 -1.4378 4.3170 4.3170 9.1675 9.1675 9.1854 9.1854 17.3538 17.3538 17.4378 17.4378 27.0092 27.0092 30.4258 30.4259 k = 0.4938-0.2851 0.4031 ( 524 PWs) bands (ev): -1.4272 -1.4272 4.3045 4.3045 9.1649 9.1649 9.1829 9.1829 17.3495 17.3495 17.4302 17.4302 27.0182 27.0182 30.4322 30.4322 k = 0.5000-0.2887 0.4082 ( 524 PWs) bands (ev): -1.4236 -1.4236 4.3003 4.3003 9.1641 9.1641 9.1821 9.1821 17.3480 17.3480 17.4277 17.4277 27.0214 27.0214 30.4344 30.4344 k = 0.5000-0.2887 0.4082 ( 524 PWs) bands (ev): -1.4236 -1.4236 4.3003 4.3003 9.1641 9.1641 9.1821 9.1821 17.3480 17.3480 17.4277 17.4277 27.0214 27.0214 30.4344 30.4344 k = 0.5000-0.2815 0.4134 ( 524 PWs) bands (ev): -1.4234 -1.4234 4.3015 4.3015 9.1611 9.1611 9.1791 9.1791 17.3541 17.3541 17.4320 17.4320 27.0194 27.0194 30.4295 30.4295 k = 0.5000-0.2742 0.4185 ( 520 PWs) bands (ev): -1.4226 -1.4226 4.3049 4.3049 9.1516 9.1516 9.1710 9.1710 17.3721 17.3721 17.4448 17.4448 27.0133 27.0133 30.4090 30.4090 k = 0.5000-0.2670 0.4236 ( 516 PWs) bands (ev): -1.4213 -1.4213 4.3107 4.3107 9.1343 9.1343 9.1590 9.1590 17.4021 17.4021 17.4660 17.4660 27.0033 27.0033 30.3667 30.3667 k = 0.5000-0.2598 0.4287 ( 512 PWs) bands (ev): -1.4194 -1.4194 4.3187 4.3187 9.1089 9.1089 9.1438 9.1438 17.4438 17.4438 17.4957 17.4957 26.9889 26.9889 30.3045 30.3045 k = 0.5000-0.2526 0.4338 ( 512 PWs) bands (ev): -1.4171 -1.4171 4.3289 4.3289 9.0755 9.0755 9.1255 9.1255 17.4969 17.4969 17.5335 17.5335 26.9704 26.9704 30.2249 30.2249 k = 0.5000-0.2454 0.4389 ( 512 PWs) bands (ev): -1.4143 -1.4143 4.3415 4.3415 9.0349 9.0349 9.1039 9.1039 17.5612 17.5612 17.5794 17.5794 26.9477 26.9477 30.1299 30.1299 k = 0.5000-0.2382 0.4440 ( 512 PWs) bands (ev): -1.4110 -1.4110 4.3563 4.3563 8.9875 8.9875 9.0792 9.0792 17.6331 17.6331 17.6362 17.6362 26.9207 26.9207 30.0210 30.0210 k = 0.5000-0.2309 0.4491 ( 512 PWs) bands (ev): -1.4072 -1.4072 4.3734 4.3734 8.9338 8.9338 9.0514 9.0514 17.6943 17.6943 17.7215 17.7215 26.8895 26.8895 29.8996 29.8996 k = 0.5000-0.2237 0.4542 ( 506 PWs) bands (ev): -1.4030 -1.4030 4.3928 4.3928 8.8743 8.8743 9.0210 9.0210 17.7629 17.7629 17.8168 17.8168 26.8541 26.8541 29.7674 29.7674 k = 0.5000-0.2165 0.4593 ( 506 PWs) bands (ev): -1.3984 -1.3984 4.4144 4.4144 8.8094 8.8094 8.9879 8.9879 17.8385 17.8385 17.9214 17.9214 26.8141 26.8141 29.6253 29.6253 k = 0.5000-0.2093 0.4644 ( 502 PWs) bands (ev): -1.3934 -1.3934 4.4383 4.4383 8.7396 8.7396 8.9524 8.9524 17.9207 17.9207 18.0349 18.0349 26.7699 26.7699 29.4748 29.4748 k = 0.5000-0.2021 0.4695 ( 502 PWs) bands (ev): -1.3880 -1.3880 4.4645 4.4645 8.6653 8.6653 8.9149 8.9149 18.0093 18.0093 18.1568 18.1568 26.7208 26.7208 29.3169 29.3169 k = 0.5000-0.1949 0.4746 ( 498 PWs) bands (ev): -1.3824 -1.3824 4.4929 4.4929 8.5870 8.5870 8.8757 8.8757 18.1040 18.1040 18.2867 18.2867 26.6671 26.6671 29.1529 29.1529 k = 0.5000-0.1876 0.4797 ( 500 PWs) bands (ev): -1.3764 -1.3764 4.5235 4.5235 8.5050 8.5050 8.8350 8.8350 18.2042 18.2042 18.4240 18.4240 26.6087 26.6087 28.9834 28.9834 k = 0.5000-0.1804 0.4848 ( 500 PWs) bands (ev): -1.3701 -1.3701 4.5564 4.5564 8.4198 8.4198 8.7931 8.7931 18.3098 18.3098 18.5682 18.5682 26.5453 26.5453 28.8096 28.8096 k = 0.5000-0.1732 0.4899 ( 500 PWs) bands (ev): -1.3636 -1.3636 4.5915 4.5915 8.3319 8.3319 8.7504 8.7504 18.4202 18.4202 18.7189 18.7189 26.4771 26.4771 28.6321 28.6321 k = 0.5000-0.1660 0.4950 ( 500 PWs) bands (ev): -1.3570 -1.3570 4.6288 4.6288 8.2415 8.2415 8.7071 8.7071 18.5351 18.5351 18.8756 18.8756 26.4038 26.4038 28.4518 28.4518 k = 0.5000-0.1588 0.5001 ( 500 PWs) bands (ev): -1.3502 -1.3502 4.6683 4.6683 8.1490 8.1490 8.6636 8.6636 18.6542 18.6542 19.0379 19.0379 26.3253 26.3253 28.2693 28.2693 k = 0.5000-0.1516 0.5052 ( 504 PWs) bands (ev): -1.3432 -1.3432 4.7101 4.7101 8.0548 8.0548 8.6199 8.6199 18.7769 18.7769 19.2054 19.2054 26.2414 26.2414 28.0852 28.0852 k = 0.5000-0.1443 0.5103 ( 504 PWs) bands (ev): -1.3362 -1.3362 4.7540 4.7540 7.9592 7.9592 8.5765 8.5765 18.9029 18.9029 19.3776 19.3776 26.1523 26.1523 27.9003 27.9003 k = 0.5000-0.1371 0.5154 ( 504 PWs) bands (ev): -1.3292 -1.3292 4.8001 4.8001 7.8624 7.8624 8.5336 8.5336 19.0317 19.0317 19.5542 19.5542 26.0579 26.0579 27.7151 27.7151 k = 0.5000-0.1299 0.5205 ( 508 PWs) bands (ev): -1.3222 -1.3222 4.8483 4.8483 7.7648 7.7648 8.4914 8.4914 19.1627 19.1627 19.7347 19.7347 25.9578 25.9578 27.5298 27.5298 k = 0.5000-0.1227 0.5256 ( 508 PWs) bands (ev): -1.3153 -1.3153 4.8988 4.8988 7.6665 7.6665 8.4502 8.4502 19.2956 19.2956 19.9187 19.9187 25.8522 25.8522 27.3458 27.3458 k = 0.5000-0.1155 0.5307 ( 506 PWs) bands (ev): -1.3084 -1.3084 4.9513 4.9513 7.5678 7.5678 8.4102 8.4102 19.4298 19.4298 20.1060 20.1060 25.7411 25.7411 27.1633 27.1633 k = 0.5000-0.1083 0.5358 ( 506 PWs) bands (ev): -1.3018 -1.3018 5.0060 5.0060 7.4690 7.4690 8.3716 8.3716 19.5646 19.5646 20.2962 20.2962 25.6244 25.6244 26.9830 26.9830 k = 0.5000-0.1010 0.5409 ( 506 PWs) bands (ev): -1.2953 -1.2953 5.0628 5.0628 7.3701 7.3701 8.3346 8.3346 19.6994 19.6994 20.4888 20.4888 25.5020 25.5020 26.8055 26.8055 k = 0.5000-0.0938 0.5460 ( 506 PWs) bands (ev): -1.2890 -1.2890 5.1217 5.1217 7.2715 7.2715 8.2993 8.2993 19.8335 19.8335 20.6835 20.6835 25.3739 25.3739 26.6317 26.6317 k = 0.5000-0.0866 0.5511 ( 506 PWs) bands (ev): -1.2830 -1.2830 5.1826 5.1826 7.1731 7.1731 8.2659 8.2659 19.9661 19.9661 20.8801 20.8801 25.2403 25.2403 26.4623 26.4623 k = 0.5000-0.0794 0.5562 ( 508 PWs) bands (ev): -1.2774 -1.2774 5.2456 5.2456 7.0753 7.0753 8.2347 8.2347 20.0962 20.0962 21.0781 21.0781 25.1010 25.1010 26.2983 26.2983 k = 0.5000-0.0722 0.5613 ( 508 PWs) bands (ev): -1.2721 -1.2721 5.3106 5.3106 6.9781 6.9781 8.2056 8.2056 20.2228 20.2228 21.2771 21.2771 24.9564 24.9564 26.1408 26.1408 k = 0.5000-0.0650 0.5664 ( 512 PWs) bands (ev): -1.2671 -1.2671 5.3776 5.3776 6.8817 6.8817 8.1789 8.1789 20.3447 20.3447 21.4769 21.4769 24.8063 24.8063 25.9909 25.9909 k = 0.5000-0.0577 0.5715 ( 512 PWs) bands (ev): -1.2626 -1.2626 5.4466 5.4466 6.7862 6.7862 8.1548 8.1548 20.4606 20.4606 21.6771 21.6771 24.6512 24.6512 25.8499 25.8499 k = 0.5000-0.0505 0.5767 ( 512 PWs) bands (ev): -1.2586 -1.2586 5.5175 5.5175 6.6916 6.6916 8.1332 8.1332 20.5690 20.5690 21.8773 21.8773 24.4911 24.4911 25.7194 25.7194 k = 0.5000-0.0433 0.5818 ( 512 PWs) bands (ev): -1.2550 -1.2550 5.5903 5.5903 6.5982 6.5982 8.1143 8.1143 20.6683 20.6683 22.0773 22.0773 24.3262 24.3262 25.6010 25.6010 k = 0.5000-0.0361 0.5869 ( 516 PWs) bands (ev): -1.2520 -1.2520 5.6650 5.6650 6.5060 6.5060 8.0981 8.0981 20.7566 20.7566 22.2766 22.2766 24.1568 24.1568 25.4964 25.4964 k = 0.5000-0.0289 0.5920 ( 516 PWs) bands (ev): -1.2494 -1.2494 5.7416 5.7416 6.4150 6.4150 8.0848 8.0848 20.8323 20.8323 22.4749 22.4749 23.9831 23.9831 25.4075 25.4075 k = 0.5000-0.0217 0.5971 ( 516 PWs) bands (ev): -1.2474 -1.2474 5.8199 5.8199 6.3254 6.3254 8.0744 8.0744 20.8935 20.8935 22.6718 22.6718 23.8053 23.8053 25.3360 25.3360 k = 0.5000-0.0144 0.6022 ( 516 PWs) bands (ev): -1.2460 -1.2460 5.9001 5.9001 6.2373 6.2373 8.0669 8.0669 20.9386 20.9386 22.8670 22.8670 23.6239 23.6239 25.2836 25.2836 k = 0.5000-0.0072 0.6073 ( 516 PWs) bands (ev): -1.2451 -1.2451 5.9819 5.9819 6.1506 6.1506 8.0624 8.0624 20.9662 20.9662 23.0602 23.0602 23.4390 23.4390 25.2516 25.2516 k = 0.5000-0.0000 0.6124 ( 516 PWs) bands (ev): -1.2449 -1.2449 6.0629 6.0629 6.0680 6.0680 8.0609 8.0609 20.9756 20.9756 23.2476 23.2476 23.2544 23.2544 25.2408 25.2408 k = 0.5000-0.0000 0.6124 ( 516 PWs) bands (ev): -1.2449 -1.2449 6.0629 6.0629 6.0680 6.0680 8.0609 8.0609 20.9756 20.9756 23.2476 23.2476 23.2544 23.2544 25.2408 25.2408 k = 0.4957 0.0075 0.6124 ( 516 PWs) bands (ev): -1.2456 -1.2456 6.0081 6.0081 6.1223 6.1223 8.0646 8.0646 20.9704 20.9704 23.1189 23.1189 23.3811 23.3811 25.2484 25.2484 k = 0.4914 0.0149 0.6124 ( 516 PWs) bands (ev): -1.2477 -1.2477 5.9527 5.9527 6.1757 6.1757 8.0759 8.0759 20.9542 20.9542 22.9864 22.9864 23.5101 23.5101 25.2703 25.2703 k = 0.4871 0.0224 0.6124 ( 516 PWs) bands (ev): -1.2510 -1.2510 5.8991 5.8991 6.2250 6.2250 8.0955 8.0955 20.9256 20.9256 22.8564 22.8564 23.6376 23.6376 25.3050 25.3050 k = 0.4828 0.0299 0.6124 ( 516 PWs) bands (ev): -1.2554 -1.2554 5.8474 5.8474 6.2695 6.2695 8.1235 8.1235 20.8833 20.8833 22.7321 22.7321 23.7634 23.7634 25.3513 25.3513 k = 0.4784 0.0373 0.6124 ( 516 PWs) bands (ev): -1.2607 -1.2607 5.7975 5.7975 6.3087 6.3087 8.1603 8.1603 20.8265 20.8265 22.6160 22.6160 23.8873 23.8873 25.4079 25.4079 k = 0.4741 0.0448 0.6124 ( 516 PWs) bands (ev): -1.2668 -1.2668 5.7496 5.7496 6.3424 6.3424 8.2057 8.2057 20.7544 20.7544 22.5102 22.5102 24.0089 24.0089 25.4739 25.4739 k = 0.4698 0.0523 0.6124 ( 512 PWs) bands (ev): -1.2735 -1.2735 5.7036 5.7036 6.3706 6.3706 8.2594 8.2594 20.6674 20.6674 22.4159 22.4159 24.1282 24.1282 25.5483 25.5483 k = 0.4655 0.0597 0.6124 ( 512 PWs) bands (ev): -1.2808 -1.2808 5.6595 5.6595 6.3933 6.3933 8.3208 8.3208 20.5661 20.5661 22.3334 22.3334 24.2446 24.2446 25.6302 25.6302 k = 0.4612 0.0672 0.6124 ( 514 PWs) bands (ev): -1.2884 -1.2884 5.6173 5.6173 6.4110 6.4110 8.3892 8.3892 20.4523 20.4523 22.2624 22.2624 24.3580 24.3580 25.7190 25.7190 k = 0.4569 0.0747 0.6124 ( 514 PWs) bands (ev): -1.2964 -1.2964 5.5772 5.5772 6.4240 6.4240 8.4636 8.4636 20.3281 20.3281 22.2018 22.2018 24.4681 24.4681 25.8140 25.8140 k = 0.4526 0.0821 0.6124 ( 508 PWs) bands (ev): -1.3046 -1.3046 5.5390 5.5390 6.4332 6.4332 8.5432 8.5432 20.1957 20.1957 22.1505 22.1505 24.5748 24.5748 25.9144 25.9144 k = 0.4483 0.0896 0.6124 ( 508 PWs) bands (ev): -1.3128 -1.3128 5.5028 5.5028 6.4387 6.4387 8.6267 8.6267 20.0577 20.0577 22.1068 22.1068 24.6774 24.6774 26.0197 26.0197 k = 0.4440 0.0971 0.6124 ( 510 PWs) bands (ev): -1.3211 -1.3211 5.4686 5.4686 6.4414 6.4414 8.7131 8.7131 19.9162 19.9162 22.0696 22.0696 24.7759 24.7759 26.1292 26.1292 k = 0.4397 0.1045 0.6124 ( 510 PWs) bands (ev): -1.3292 -1.3292 5.4365 5.4365 6.4417 6.4417 8.8014 8.8014 19.7736 19.7736 22.0379 22.0379 24.8699 24.8699 26.2424 26.2424 k = 0.4353 0.1120 0.6124 ( 510 PWs) bands (ev): -1.3372 -1.3372 5.4063 5.4063 6.4402 6.4402 8.8904 8.8904 19.6315 19.6315 22.0105 22.0105 24.9594 24.9594 26.3587 26.3587 k = 0.4310 0.1195 0.6124 ( 510 PWs) bands (ev): -1.3449 -1.3449 5.3782 5.3782 6.4372 6.4372 8.9791 8.9791 19.4919 19.4919 21.9868 21.9868 25.0439 25.0439 26.4774 26.4774 k = 0.4267 0.1269 0.6124 ( 512 PWs) bands (ev): -1.3524 -1.3524 5.3522 5.3522 6.4332 6.4332 9.0664 9.0664 19.3560 19.3560 21.9662 21.9662 25.1233 25.1233 26.5978 26.5978 k = 0.4224 0.1344 0.6124 ( 512 PWs) bands (ev): -1.3594 -1.3594 5.3282 5.3282 6.4285 6.4285 9.1515 9.1515 19.2256 19.2256 21.9483 21.9483 25.1972 25.1972 26.7194 26.7194 k = 0.4181 0.1418 0.6124 ( 510 PWs) bands (ev): -1.3660 -1.3660 5.3063 5.3063 6.4235 6.4235 9.2333 9.2333 19.1018 19.1018 21.9325 21.9325 25.2655 25.2655 26.8413 26.8413 k = 0.4138 0.1493 0.6124 ( 510 PWs) bands (ev): -1.3722 -1.3722 5.2864 5.2864 6.4182 6.4182 9.3108 9.3108 18.9857 18.9857 21.9188 21.9188 25.3279 25.3279 26.9625 26.9625 k = 0.4095 0.1568 0.6124 ( 512 PWs) bands (ev): -1.3778 -1.3778 5.2686 5.2686 6.4130 6.4130 9.3830 9.3830 18.8786 18.8786 21.9069 21.9069 25.3843 25.3843 27.0819 27.0819 k = 0.4052 0.1642 0.6124 ( 512 PWs) bands (ev): -1.3828 -1.3828 5.2529 5.2529 6.4081 6.4081 9.4493 9.4493 18.7814 18.7814 21.8966 21.8966 25.4344 25.4344 27.1982 27.1982 k = 0.4009 0.1717 0.6124 ( 508 PWs) bands (ev): -1.3873 -1.3873 5.2393 5.2393 6.4035 6.4035 9.5087 9.5087 18.6950 18.6950 21.8879 21.8879 25.4784 25.4784 27.3096 27.3096 k = 0.3966 0.1792 0.6124 ( 508 PWs) bands (ev): -1.3911 -1.3911 5.2278 5.2278 6.3995 6.3995 9.5603 9.5603 18.6204 18.6204 21.8807 21.8807 25.5157 25.5157 27.4136 27.4136 k = 0.3922 0.1866 0.6124 ( 508 PWs) bands (ev): -1.3942 -1.3942 5.2183 5.2183 6.3960 6.3960 9.6036 9.6036 18.5583 18.5583 21.8748 21.8748 25.5464 25.5464 27.5074 27.5074 k = 0.3879 0.1941 0.6124 ( 508 PWs) bands (ev): -1.3967 -1.3967 5.2110 5.2110 6.3933 6.3933 9.6379 9.6379 18.5092 18.5092 21.8702 21.8702 25.5704 25.5704 27.5874 27.5874 k = 0.3836 0.2016 0.6124 ( 508 PWs) bands (ev): -1.3985 -1.3985 5.2057 5.2057 6.3913 6.3913 9.6628 9.6628 18.4738 18.4738 21.8670 21.8670 25.5876 25.5876 27.6492 27.6492 k = 0.3793 0.2090 0.6124 ( 510 PWs) bands (ev): -1.3995 -1.3995 5.2026 5.2026 6.3901 6.3901 9.6779 9.6779 18.4524 18.4524 21.8650 21.8650 25.5978 25.5978 27.6885 27.6885 k = 0.3750 0.2165 0.6124 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.3750 0.2165 0.6124 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.3706 0.2140 0.6052 ( 512 PWs) bands (ev): -1.4129 -1.4129 5.2652 5.2652 6.2899 6.2899 9.7175 9.7175 18.5182 18.5182 22.0626 22.0626 25.5138 25.5138 27.5845 27.5845 k = 0.3662 0.2114 0.5980 ( 512 PWs) bands (ev): -1.4284 -1.4284 5.3310 5.3310 6.1952 6.1952 9.7530 9.7530 18.5933 18.5933 22.2543 22.2543 25.4251 25.4251 27.4688 27.4688 k = 0.3618 0.2089 0.5908 ( 512 PWs) bands (ev): -1.4465 -1.4465 5.3988 5.3988 6.1058 6.1058 9.7895 9.7895 18.6706 18.6706 22.4384 22.4384 25.3353 25.3353 27.3551 27.3551 k = 0.3574 0.2063 0.5836 ( 508 PWs) bands (ev): -1.4674 -1.4674 5.4686 5.4686 6.0219 6.0219 9.8270 9.8270 18.7499 18.7499 22.6140 22.6140 25.2447 25.2447 27.2435 27.2435 k = 0.3529 0.2038 0.5764 ( 508 PWs) bands (ev): -1.4912 -1.4912 5.5404 5.5404 5.9439 5.9439 9.8652 9.8652 18.8313 18.8313 22.7799 22.7799 25.1532 25.1532 27.1341 27.1341 k = 0.3485 0.2012 0.5691 ( 508 PWs) bands (ev): -1.5180 -1.5180 5.6142 5.6142 5.8719 5.8719 9.9041 9.9041 18.9146 18.9146 22.9352 22.9352 25.0610 25.0610 27.0270 27.0270 k = 0.3441 0.1987 0.5619 ( 508 PWs) bands (ev): -1.5479 -1.5479 5.6900 5.6900 5.8063 5.8063 9.9437 9.9437 18.9999 18.9999 23.0789 23.0789 24.9684 24.9684 26.9225 26.9225 k = 0.3397 0.1961 0.5547 ( 506 PWs) bands (ev): -1.5811 -1.5811 5.7470 5.7470 5.7677 5.7677 9.9841 9.9841 19.0870 19.0870 23.2103 23.2103 24.8754 24.8754 26.8205 26.8205 k = 0.3353 0.1936 0.5475 ( 510 PWs) bands (ev): -1.6176 -1.6176 5.6944 5.6944 5.8472 5.8472 10.0251 10.0251 19.1758 19.1758 23.3287 23.3287 24.7820 24.7820 26.7210 26.7210 k = 0.3309 0.1910 0.5403 ( 510 PWs) bands (ev): -1.6575 -1.6575 5.6485 5.6485 5.9286 5.9286 10.0668 10.0668 19.2664 19.2664 23.4337 23.4337 24.6886 24.6886 26.6244 26.6244 k = 0.3265 0.1885 0.5331 ( 510 PWs) bands (ev): -1.7007 -1.7007 5.6094 5.6094 6.0119 6.0119 10.1090 10.1090 19.3585 19.3585 23.5252 23.5252 24.5952 24.5952 26.5308 26.5308 k = 0.3221 0.1859 0.5259 ( 514 PWs) bands (ev): -1.7473 -1.7473 5.5771 5.5771 6.0970 6.0970 10.1518 10.1518 19.4522 19.4522 23.6032 23.6032 24.5020 24.5020 26.4401 26.4401 k = 0.3176 0.1834 0.5187 ( 514 PWs) bands (ev): -1.7972 -1.7972 5.5518 5.5518 6.1839 6.1839 10.1952 10.1952 19.5474 19.5474 23.6680 23.6680 24.4091 24.4091 26.3525 26.3525 k = 0.3132 0.1808 0.5115 ( 514 PWs) bands (ev): -1.8504 -1.8504 5.5334 5.5334 6.2726 6.2726 10.2389 10.2389 19.6438 19.6438 23.7201 23.7201 24.3166 24.3166 26.2681 26.2681 k = 0.3088 0.1783 0.5043 ( 522 PWs) bands (ev): -1.9068 -1.9068 5.5218 5.5218 6.3628 6.3628 10.2830 10.2830 19.7414 19.7414 23.7601 23.7601 24.2242 24.2242 26.1868 26.1868 k = 0.3044 0.1758 0.4971 ( 522 PWs) bands (ev): -1.9664 -1.9664 5.5171 5.5171 6.4549 6.4549 10.3276 10.3276 19.8400 19.8400 23.7889 23.7889 24.1329 24.1329 26.1090 26.1090 k = 0.3000 0.1732 0.4899 ( 520 PWs) bands (ev): -2.0289 -2.0289 5.5192 5.5192 6.5485 6.5485 10.3725 10.3725 19.9396 19.9396 23.8075 23.8075 24.0425 24.0425 26.0345 26.0345 k = 0.2956 0.1707 0.4827 ( 520 PWs) bands (ev): -2.0943 -2.0943 5.5278 5.5278 6.6438 6.6438 10.4177 10.4177 20.0399 20.0399 23.8167 23.8167 23.9530 23.9530 25.9636 25.9636 k = 0.2912 0.1681 0.4755 ( 520 PWs) bands (ev): -2.1625 -2.1625 5.5429 5.5429 6.7406 6.7406 10.4631 10.4631 20.1406 20.1406 23.8172 23.8172 23.8648 23.8648 25.8962 25.8962 k = 0.2868 0.1656 0.4683 ( 520 PWs) bands (ev): -2.2331 -2.2331 5.5645 5.5645 6.8390 6.8390 10.5086 10.5086 20.2417 20.2417 23.7765 23.7765 23.8119 23.8119 25.8324 25.8324 k = 0.2824 0.1630 0.4611 ( 520 PWs) bands (ev): -2.3062 -2.3062 5.5922 5.5922 6.9388 6.9388 10.5543 10.5543 20.3428 20.3428 23.6909 23.6909 23.7989 23.7989 25.7724 25.7724 k = 0.2779 0.1605 0.4539 ( 520 PWs) bands (ev): -2.3815 -2.3815 5.6260 5.6260 7.0399 7.0399 10.6001 10.6001 20.4436 20.4436 23.6063 23.6063 23.7811 23.7811 25.7162 25.7162 k = 0.2735 0.1579 0.4467 ( 516 PWs) bands (ev): -2.4587 -2.4587 5.6657 5.6657 7.1425 7.1425 10.6458 10.6458 20.5437 20.5437 23.5233 23.5233 23.7596 23.7596 25.6638 25.6638 k = 0.2691 0.1554 0.4395 ( 516 PWs) bands (ev): -2.5378 -2.5378 5.7111 5.7111 7.2463 7.2463 10.6916 10.6916 20.6428 20.6428 23.4419 23.4419 23.7347 23.7347 25.6154 25.6154 k = 0.2647 0.1528 0.4323 ( 518 PWs) bands (ev): -2.6186 -2.6186 5.7620 5.7620 7.3514 7.3514 10.7372 10.7372 20.7404 20.7404 23.3623 23.3623 23.7076 23.7076 25.5710 25.5710 k = 0.2603 0.1503 0.4251 ( 516 PWs) bands (ev): -2.7007 -2.7007 5.8183 5.8183 7.4577 7.4577 10.7828 10.7828 20.8359 20.8359 23.2846 23.2846 23.6797 23.6797 25.5306 25.5306 k = 0.2559 0.1477 0.4179 ( 512 PWs) bands (ev): -2.7841 -2.7841 5.8797 5.8797 7.5651 7.5651 10.8281 10.8281 20.9287 20.9287 23.2089 23.2089 23.6520 23.6520 25.4944 25.4944 k = 0.2515 0.1452 0.4106 ( 512 PWs) bands (ev): -2.8686 -2.8686 5.9461 5.9461 7.6735 7.6735 10.8732 10.8732 21.0180 21.0180 23.1353 23.1353 23.6254 23.6254 25.4624 25.4624 k = 0.2471 0.1426 0.4034 ( 512 PWs) bands (ev): -2.9540 -2.9540 6.0173 6.0173 7.7829 7.7829 10.9180 10.9180 21.1030 21.1030 23.0640 23.0640 23.6013 23.6013 25.4346 25.4346 k = 0.2426 0.1401 0.3962 ( 514 PWs) bands (ev): -3.0401 -3.0401 6.0930 6.0930 7.8932 7.8932 10.9624 10.9624 21.1827 21.1827 22.9950 22.9950 23.5808 23.5808 25.4112 25.4112 k = 0.2382 0.1375 0.3890 ( 518 PWs) bands (ev): -3.1267 -3.1267 6.1732 6.1732 8.0042 8.0042 11.0063 11.0063 21.2561 21.2561 22.9283 22.9283 23.5652 23.5652 25.3921 25.3921 k = 0.2338 0.1350 0.3818 ( 518 PWs) bands (ev): -3.2136 -3.2136 6.2577 6.2577 8.1160 8.1160 11.0499 11.0499 21.3220 21.3220 22.8644 22.8644 23.5560 23.5560 25.3775 25.3775 k = 0.2294 0.1325 0.3746 ( 518 PWs) bands (ev): -3.3008 -3.3008 6.3463 6.3463 8.2285 8.2285 11.0930 11.0930 21.3795 21.3795 22.8033 22.8033 23.5544 23.5544 25.3674 25.3674 k = 0.2250 0.1299 0.3674 ( 518 PWs) bands (ev): -3.3881 -3.3881 6.4387 6.4387 8.3415 8.3415 11.1355 11.1355 21.4274 21.4274 22.7451 22.7451 23.5614 23.5614 25.3618 25.3618 k = 0.2206 0.1274 0.3602 ( 518 PWs) bands (ev): -3.4752 -3.4752 6.5350 6.5350 8.4550 8.4550 11.1774 11.1774 21.4650 21.4650 22.6898 22.6898 23.5779 23.5779 25.3608 25.3608 k = 0.2162 0.1248 0.3530 ( 518 PWs) bands (ev): -3.5622 -3.5622 6.6348 6.6348 8.5688 8.5688 11.2186 11.2186 21.4918 21.4918 22.6376 22.6376 23.6046 23.6046 25.3644 25.3644 k = 0.2118 0.1223 0.3458 ( 518 PWs) bands (ev): -3.6488 -3.6488 6.7381 6.7381 8.6829 8.6829 11.2592 11.2592 21.5075 21.5075 22.5887 22.5887 23.6416 23.6416 25.3727 25.3727 k = 0.2074 0.1197 0.3386 ( 515 PWs) bands (ev): -3.7349 -3.7349 6.8448 6.8448 8.7972 8.7972 11.2991 11.2991 21.5123 21.5123 22.5431 22.5431 23.6889 23.6889 25.3857 25.3857 k = 0.2029 0.1172 0.3314 ( 515 PWs) bands (ev): -3.8205 -3.8205 6.9546 6.9546 8.9115 8.9115 11.3382 11.3382 21.5067 21.5067 22.5010 22.5010 23.7457 23.7457 25.4035 25.4035 k = 0.1985 0.1146 0.3242 ( 515 PWs) bands (ev): -3.9053 -3.9053 7.0673 7.0673 9.0257 9.0257 11.3765 11.3765 21.4916 21.4916 22.4625 22.4625 23.8113 23.8113 25.4260 25.4260 k = 0.1941 0.1121 0.3170 ( 515 PWs) bands (ev): -3.9894 -3.9894 7.1830 7.1830 9.1397 9.1397 11.4140 11.4140 21.4676 21.4676 22.4277 22.4277 23.8846 23.8846 25.4534 25.4534 k = 0.1897 0.1095 0.3098 ( 515 PWs) bands (ev): -4.0726 -4.0726 7.3014 7.3014 9.2534 9.2534 11.4506 11.4506 21.4360 21.4360 22.3967 22.3967 23.9646 23.9646 25.4856 25.4856 k = 0.1853 0.1070 0.3026 ( 521 PWs) bands (ev): -4.1548 -4.1548 7.4224 7.4224 9.3666 9.3666 11.4862 11.4862 21.3975 21.3975 22.3694 22.3694 24.0499 24.0499 25.5225 25.5225 k = 0.1809 0.1044 0.2954 ( 521 PWs) bands (ev): -4.2359 -4.2359 7.5458 7.5458 9.4793 9.4793 11.5210 11.5210 21.3533 21.3533 22.3465 22.3465 24.1398 24.1398 25.5644 25.5644 k = 0.1765 0.1019 0.2882 ( 521 PWs) bands (ev): -4.3158 -4.3158 7.6716 7.6716 9.5912 9.5912 11.5548 11.5548 21.3039 21.3039 22.3279 22.3279 24.2329 24.2329 25.6112 25.6112 k = 0.1721 0.0993 0.2810 ( 521 PWs) bands (ev): -4.3945 -4.3945 7.7996 7.7996 9.7023 9.7023 11.5877 11.5877 21.2503 21.2503 22.3135 22.3135 24.3282 24.3282 25.6629 25.6629 k = 0.1676 0.0968 0.2738 ( 521 PWs) bands (ev): -4.4719 -4.4719 7.9296 7.9296 9.8124 9.8124 11.6196 11.6196 21.1929 21.1929 22.3036 22.3036 24.4249 24.4249 25.7194 25.7194 k = 0.1632 0.0942 0.2666 ( 521 PWs) bands (ev): -4.5480 -4.5480 8.0615 8.0615 9.9214 9.9214 11.6505 11.6505 21.1324 21.1324 22.2983 22.2983 24.5218 24.5218 25.7809 25.7809 k = 0.1588 0.0917 0.2594 ( 521 PWs) bands (ev): -4.6226 -4.6226 8.1952 8.1952 10.0291 10.0291 11.6804 11.6804 21.0692 21.0692 22.2977 22.2977 24.6182 24.6182 25.8472 25.8472 k = 0.1544 0.0891 0.2522 ( 521 PWs) bands (ev): -4.6957 -4.6957 8.3306 8.3306 10.1354 10.1354 11.7093 11.7093 21.0036 21.0036 22.3018 22.3018 24.7130 24.7130 25.9184 25.9184 k = 0.1500 0.0866 0.2449 ( 525 PWs) bands (ev): -4.7672 -4.7672 8.4673 8.4673 10.2402 10.2402 11.7372 11.7372 20.9359 20.9359 22.3108 22.3108 24.8052 24.8052 25.9945 25.9945 k = 0.1456 0.0841 0.2377 ( 519 PWs) bands (ev): -4.8372 -4.8372 8.6056 8.6056 10.3433 10.3433 11.7641 11.7641 20.8667 20.8667 22.3247 22.3247 24.8942 24.8942 26.0754 26.0754 k = 0.1412 0.0815 0.2305 ( 519 PWs) bands (ev): -4.9054 -4.9054 8.7449 8.7449 10.4446 10.4446 11.7899 11.7899 20.7958 20.7958 22.3438 22.3438 24.9789 24.9789 26.0591 26.0591 k = 0.1368 0.0790 0.2233 ( 519 PWs) bands (ev): -4.9720 -4.9720 8.8853 8.8853 10.5438 10.5438 11.8147 11.8147 20.7235 20.7235 22.3679 22.3679 25.0581 25.0581 25.9667 25.9667 k = 0.1324 0.0764 0.2161 ( 519 PWs) bands (ev): -5.0369 -5.0369 9.0264 9.0264 10.6410 10.6410 11.8385 11.8385 20.6501 20.6501 22.3972 22.3972 25.1310 25.1310 25.8772 25.8772 k = 0.1279 0.0739 0.2089 ( 523 PWs) bands (ev): -5.0999 -5.0999 9.1682 9.1682 10.7358 10.7358 11.8612 11.8612 20.5755 20.5755 22.4317 22.4317 25.1964 25.1964 25.7906 25.7906 k = 0.1235 0.0713 0.2017 ( 523 PWs) bands (ev): -5.1611 -5.1611 9.3105 9.3105 10.8283 10.8283 11.8830 11.8830 20.5001 20.5001 22.4715 22.4715 25.2535 25.2535 25.7070 25.7070 k = 0.1191 0.0688 0.1945 ( 519 PWs) bands (ev): -5.2205 -5.2205 9.4531 9.4531 10.9184 10.9184 11.9038 11.9038 20.4238 20.4238 22.5165 22.5165 25.3013 25.3013 25.6263 25.6263 k = 0.1147 0.0662 0.1873 ( 519 PWs) bands (ev): -5.2779 -5.2779 9.5957 9.5957 11.0058 11.0058 11.9236 11.9236 20.3468 20.3468 22.5668 22.5668 25.3388 25.3388 25.5484 25.5484 k = 0.1103 0.0637 0.1801 ( 519 PWs) bands (ev): -5.3334 -5.3334 9.7382 9.7382 11.0905 11.0905 11.9425 11.9425 20.2692 20.2692 22.6223 22.6223 25.3655 25.3655 25.4736 25.4736 k = 0.1059 0.0611 0.1729 ( 519 PWs) bands (ev): -5.3870 -5.3870 9.8802 9.8802 11.1723 11.1723 11.9604 11.9604 20.1910 20.1910 22.6829 22.6829 25.3811 25.3811 25.4016 25.4016 k = 0.1015 0.0586 0.1657 ( 519 PWs) bands (ev): -5.4386 -5.4386 10.0215 10.0215 11.2512 11.2512 11.9773 11.9773 20.1124 20.1124 22.7486 22.7486 25.3326 25.3326 25.3854 25.3854 k = 0.0971 0.0560 0.1585 ( 527 PWs) bands (ev): -5.4881 -5.4881 10.1617 10.1617 11.3270 11.3270 11.9933 11.9933 20.0334 20.0334 22.8191 22.8191 25.2665 25.2665 25.3787 25.3787 k = 0.0926 0.0535 0.1513 ( 527 PWs) bands (ev): -5.5356 -5.5356 10.3009 10.3009 11.3998 11.3998 12.0085 12.0085 19.9543 19.9543 22.8945 22.8945 25.2033 25.2033 25.3617 25.3617 k = 0.0882 0.0509 0.1441 ( 527 PWs) bands (ev): -5.5811 -5.5811 10.4384 10.4384 11.4695 11.4695 12.0228 12.0228 19.8751 19.8751 22.9744 22.9744 25.1431 25.1431 25.3352 25.3352 k = 0.0838 0.0484 0.1369 ( 527 PWs) bands (ev): -5.6244 -5.6244 10.5741 10.5741 11.5358 11.5358 12.0362 12.0362 19.7961 19.7961 23.0587 23.0587 25.0858 25.0858 25.3005 25.3005 k = 0.0794 0.0458 0.1297 ( 533 PWs) bands (ev): -5.6657 -5.6657 10.7073 10.7073 11.5989 11.5989 12.0487 12.0487 19.7174 19.7174 23.1469 23.1469 25.0314 25.0314 25.2586 25.2586 k = 0.0750 0.0433 0.1225 ( 533 PWs) bands (ev): -5.7048 -5.7048 10.8380 10.8380 11.6587 11.6587 12.0605 12.0605 19.6394 19.6394 23.2388 23.2388 24.9799 24.9799 25.2112 25.2112 k = 0.0706 0.0408 0.1153 ( 533 PWs) bands (ev): -5.7417 -5.7417 10.9656 10.9656 11.7151 11.7151 12.0715 12.0715 19.5622 19.5622 23.3339 23.3339 24.9314 24.9314 25.1596 25.1596 k = 0.0662 0.0382 0.1081 ( 533 PWs) bands (ev): -5.7765 -5.7765 11.0896 11.0896 11.7681 11.7681 12.0817 12.0817 19.4861 19.4861 23.4317 23.4317 24.8858 24.8858 25.1051 25.1051 k = 0.0618 0.0357 0.1009 ( 533 PWs) bands (ev): -5.8092 -5.8092 11.2096 11.2096 11.8177 11.8177 12.0912 12.0912 19.4116 19.4116 23.5317 23.5317 24.8432 24.8432 25.0489 25.0489 k = 0.0574 0.0331 0.0937 ( 533 PWs) bands (ev): -5.8396 -5.8396 11.3250 11.3250 11.8639 11.8639 12.0999 12.0999 19.3389 19.3389 23.6331 23.6331 24.8035 24.8035 24.9924 24.9924 k = 0.0529 0.0306 0.0865 ( 531 PWs) bands (ev): -5.8678 -5.8678 11.4354 11.4354 11.9066 11.9066 12.1080 12.1080 19.2686 19.2686 23.7351 23.7351 24.7667 24.7667 24.9365 24.9365 k = 0.0485 0.0280 0.0792 ( 531 PWs) bands (ev): -5.8939 -5.8939 11.5401 11.5401 11.9458 11.9458 12.1153 12.1153 19.2010 19.2010 23.8368 23.8368 24.7329 24.7329 24.8821 24.8821 k = 0.0441 0.0255 0.0720 ( 531 PWs) bands (ev): -5.9176 -5.9176 11.6384 11.6384 11.9816 11.9816 12.1220 12.1220 19.1367 19.1367 23.9372 23.9372 24.7020 24.7020 24.8302 24.8302 k = 0.0397 0.0229 0.0648 ( 531 PWs) bands (ev): -5.9392 -5.9392 11.7299 11.7299 12.0139 12.0139 12.1280 12.1280 19.0762 19.0762 24.0351 24.0351 24.6741 24.6741 24.7813 24.7813 k = 0.0353 0.0204 0.0576 ( 531 PWs) bands (ev): -5.9585 -5.9585 11.8139 11.8139 12.0428 12.0428 12.1334 12.1334 19.0201 19.0201 24.1292 24.1292 24.6491 24.6491 24.7362 24.7362 k = 0.0309 0.0178 0.0504 ( 531 PWs) bands (ev): -5.9756 -5.9756 11.8898 11.8898 12.0682 12.0682 12.1383 12.1383 18.9689 18.9689 24.2179 24.2179 24.6270 24.6270 24.6952 24.6952 k = 0.0265 0.0153 0.0432 ( 531 PWs) bands (ev): -5.9903 -5.9903 11.9568 11.9568 12.0901 12.0901 12.1426 12.1426 18.9231 18.9231 24.2996 24.2996 24.6079 24.6079 24.6590 24.6590 k = 0.0221 0.0127 0.0360 ( 531 PWs) bands (ev): -6.0029 -6.0029 12.0145 12.0145 12.1086 12.1086 12.1465 12.1465 18.8834 18.8834 24.3728 24.3728 24.5917 24.5917 24.6278 24.6278 k = 0.0176 0.0102 0.0288 ( 531 PWs) bands (ev): -6.0131 -6.0131 12.0620 12.0620 12.1237 12.1237 12.1501 12.1501 18.8501 18.8501 24.4357 24.4357 24.5785 24.5785 24.6018 24.6018 k = 0.0132 0.0076 0.0216 ( 531 PWs) bands (ev): -6.0211 -6.0211 12.0983 12.0983 12.1360 12.1360 12.1536 12.1536 18.8237 18.8237 24.4866 24.4866 24.5682 24.5682 24.5814 24.5814 k = 0.0088 0.0051 0.0144 ( 531 PWs) bands (ev): -6.0268 -6.0268 12.1217 12.1217 12.1468 12.1468 12.1568 12.1568 18.8046 18.8046 24.5241 24.5241 24.5608 24.5608 24.5668 24.5668 k = 0.0044 0.0025 0.0072 ( 531 PWs) bands (ev): -6.0302 -6.0302 12.1323 12.1323 12.1563 12.1563 12.1593 12.1593 18.7930 18.7930 24.5472 24.5472 24.5564 24.5564 24.5579 24.5579 k = 0.0000 0.0000 0.0000 ( 531 PWs) bands (ev): -6.0314 -6.0314 12.1350 12.1350 12.1602 12.1602 12.1602 12.1602 18.7891 18.7891 24.5547 24.5547 24.5547 24.5547 24.5554 24.5554 k = 0.0000 0.0000 0.0000 ( 531 PWs) bands (ev): -6.0314 -6.0314 12.1350 12.1350 12.1602 12.1602 12.1602 12.1602 18.7891 18.7891 24.5547 24.5547 24.5547 24.5547 24.5554 24.5554 k = 0.0072 0.0042 0.0030 ( 531 PWs) bands (ev): -6.0302 -6.0302 12.1322 12.1322 12.1561 12.1561 12.1594 12.1594 18.7930 18.7930 24.5476 24.5476 24.5567 24.5567 24.5572 24.5572 k = 0.0145 0.0084 0.0059 ( 531 PWs) bands (ev): -6.0268 -6.0268 12.1205 12.1205 12.1474 12.1474 12.1571 12.1571 18.8047 18.8047 24.5258 24.5258 24.5627 24.5627 24.5631 24.5631 k = 0.0217 0.0126 0.0089 ( 531 PWs) bands (ev): -6.0210 -6.0210 12.0941 12.0941 12.1398 12.1398 12.1533 12.1533 18.8240 18.8240 24.4904 24.4904 24.5726 24.5726 24.5730 24.5730 k = 0.0290 0.0167 0.0118 ( 531 PWs) bands (ev): -6.0129 -6.0129 12.0537 12.0537 12.1329 12.1329 12.1479 12.1479 18.8506 18.8506 24.4424 24.4424 24.5863 24.5863 24.5867 24.5867 k = 0.0362 0.0209 0.0148 ( 531 PWs) bands (ev): -6.0025 -6.0025 12.0012 12.0012 12.1254 12.1254 12.1410 12.1410 18.8840 18.8840 24.3836 24.3836 24.6039 24.6039 24.6042 24.6042 k = 0.0435 0.0251 0.0177 ( 531 PWs) bands (ev): -5.9899 -5.9899 11.9374 11.9374 12.1168 12.1168 12.1327 12.1327 18.9237 18.9237 24.3154 24.3154 24.6251 24.6251 24.6253 24.6253 k = 0.0507 0.0293 0.0207 ( 531 PWs) bands (ev): -5.9749 -5.9749 11.8631 11.8631 12.1068 12.1068 12.1229 12.1229 18.9692 18.9692 24.2399 24.2399 24.6497 24.6497 24.6499 24.6499 k = 0.0580 0.0335 0.0237 ( 531 PWs) bands (ev): -5.9576 -5.9576 11.7788 11.7788 12.0955 12.0955 12.1117 12.1117 19.0196 19.0196 24.1587 24.1587 24.6777 24.6777 24.6778 24.6778 k = 0.0652 0.0377 0.0266 ( 531 PWs) bands (ev): -5.9381 -5.9381 11.6852 11.6852 12.0829 12.0829 12.0991 12.0991 19.0744 19.0744 24.0737 24.0737 24.7088 24.7088 24.7088 24.7088 k = 0.0725 0.0418 0.0296 ( 531 PWs) bands (ev): -5.9163 -5.9163 11.5828 11.5828 12.0690 12.0690 12.0852 12.0852 19.1325 19.1325 23.9865 23.9865 24.7425 24.7425 24.7427 24.7427 k = 0.0797 0.0460 0.0325 ( 531 PWs) bands (ev): -5.8923 -5.8923 11.4722 11.4722 12.0538 12.0538 12.0700 12.0700 19.1934 19.1934 23.8987 23.8987 24.7787 24.7787 24.7791 24.7791 k = 0.0870 0.0502 0.0355 ( 531 PWs) bands (ev): -5.8659 -5.8659 11.3541 11.3541 12.0375 12.0375 12.0536 12.0536 19.2559 19.2559 23.8118 23.8118 24.8171 24.8171 24.8177 24.8177 k = 0.0942 0.0544 0.0385 ( 531 PWs) bands (ev): -5.8374 -5.8374 11.2289 11.2289 12.0199 12.0199 12.0360 12.0360 19.3193 19.3193 23.7271 23.7271 24.8571 24.8571 24.8580 24.8580 k = 0.1014 0.0586 0.0414 ( 531 PWs) bands (ev): -5.8066 -5.8066 11.0973 11.0973 12.0013 12.0013 12.0172 12.0172 19.3826 19.3826 23.6461 23.6461 24.8984 24.8984 24.8996 24.8996 k = 0.1087 0.0628 0.0444 ( 531 PWs) bands (ev): -5.7736 -5.7736 10.9597 10.9597 11.9816 11.9816 11.9975 11.9975 19.4449 19.4449 23.5698 23.5698 24.9404 24.9404 24.9419 24.9419 k = 0.1159 0.0669 0.0473 ( 534 PWs) bands (ev): -5.7384 -5.7384 10.8167 10.8167 11.9608 11.9608 11.9766 11.9766 19.5053 19.5053 23.4994 23.4994 24.9824 24.9824 24.9843 24.9843 k = 0.1232 0.0711 0.0503 ( 534 PWs) bands (ev): -5.7011 -5.7011 10.6687 10.6687 11.9392 11.9392 11.9549 11.9549 19.5627 19.5627 23.4361 23.4361 25.0238 25.0238 25.0262 25.0262 k = 0.1304 0.0753 0.0532 ( 531 PWs) bands (ev): -5.6615 -5.6615 10.5163 10.5163 11.9167 11.9167 11.9323 11.9323 19.6162 19.6162 23.3808 23.3808 25.0639 25.0639 25.0668 25.0668 k = 0.1377 0.0795 0.0562 ( 531 PWs) bands (ev): -5.6198 -5.6198 10.3597 10.3597 11.8934 11.8934 11.9090 11.9090 19.6650 19.6650 23.3343 23.3343 25.1017 25.1017 25.1053 25.1053 k = 0.1449 0.0837 0.0592 ( 531 PWs) bands (ev): -5.5760 -5.5760 10.1994 10.1994 11.8694 11.8694 11.8848 11.8848 19.7083 19.7083 23.2976 23.2976 25.1365 25.1365 25.1409 25.1409 k = 0.1522 0.0879 0.0621 ( 525 PWs) bands (ev): -5.5301 -5.5301 10.0360 10.0360 11.8447 11.8447 11.8601 11.8601 19.7454 19.7454 23.2713 23.2713 25.1674 25.1674 25.1727 25.1727 k = 0.1594 0.0920 0.0651 ( 525 PWs) bands (ev): -5.4821 -5.4821 9.8694 9.8694 11.8195 11.8195 11.8347 11.8347 19.7757 19.7757 23.2558 23.2558 25.1935 25.1935 25.1998 25.1998 k = 0.1667 0.0962 0.0680 ( 525 PWs) bands (ev): -5.4320 -5.4320 9.7001 9.7001 11.7937 11.7937 11.8088 11.8088 19.7988 19.7988 23.2514 23.2514 25.2139 25.2139 25.2213 25.2213 k = 0.1739 0.1004 0.0710 ( 525 PWs) bands (ev): -5.3800 -5.3800 9.5286 9.5286 11.7674 11.7674 11.7824 11.7824 19.8146 19.8146 23.2583 23.2583 25.2281 25.2281 25.2367 25.2367 k = 0.1812 0.1046 0.0740 ( 519 PWs) bands (ev): -5.3259 -5.3259 9.3551 9.3551 11.7408 11.7408 11.7557 11.7557 19.8230 19.8230 23.2764 23.2764 25.2353 25.2353 25.2452 25.2452 k = 0.1884 0.1088 0.0769 ( 522 PWs) bands (ev): -5.2699 -5.2699 9.1797 9.1797 11.7138 11.7138 11.7285 11.7285 19.8242 19.8242 23.3052 23.3052 25.2353 25.2353 25.2466 25.2466 k = 0.1957 0.1130 0.0799 ( 522 PWs) bands (ev): -5.2119 -5.2119 9.0029 9.0029 11.6865 11.6865 11.7011 11.7011 19.8186 19.8186 23.3443 23.3443 25.2280 25.2280 25.2407 25.2407 k = 0.2029 0.1171 0.0828 ( 522 PWs) bands (ev): -5.1521 -5.1521 8.8249 8.8249 11.6590 11.6590 11.6735 11.6735 19.8066 19.8066 23.3931 23.3931 25.2134 25.2134 25.2276 25.2276 k = 0.2101 0.1213 0.0858 ( 525 PWs) bands (ev): -5.0904 -5.0904 8.6457 8.6457 11.6314 11.6314 11.6458 11.6458 19.7889 19.7889 23.4509 23.4509 25.1918 25.1918 25.2075 25.2075 k = 0.2174 0.1255 0.0887 ( 525 PWs) bands (ev): -5.0269 -5.0269 8.4660 8.4660 11.6037 11.6037 11.6180 11.6180 19.7662 19.7662 23.5168 23.5168 25.1639 25.1639 25.1810 25.1810 k = 0.2246 0.1297 0.0917 ( 522 PWs) bands (ev): -4.9617 -4.9617 8.2858 8.2858 11.5761 11.5761 11.5902 11.5902 19.7391 19.7391 23.5901 23.5901 25.1301 25.1301 25.1486 25.1486 k = 0.2319 0.1339 0.0947 ( 522 PWs) bands (ev): -4.8947 -4.8947 8.1053 8.1053 11.5484 11.5484 11.5624 11.5624 19.7083 19.7083 23.6698 23.6698 25.0912 25.0912 25.1110 25.1110 k = 0.2391 0.1381 0.0976 ( 522 PWs) bands (ev): -4.8261 -4.8261 7.9248 7.9248 11.5208 11.5208 11.5347 11.5347 19.6744 19.6744 23.7551 23.7551 25.0478 25.0478 25.0689 25.0689 k = 0.2464 0.1422 0.1006 ( 522 PWs) bands (ev): -4.7559 -4.7559 7.7443 7.7443 11.4934 11.4934 11.5072 11.5072 19.6381 19.6381 23.8452 23.8452 25.0008 25.0008 25.0231 25.0231 k = 0.2536 0.1464 0.1035 ( 522 PWs) bands (ev): -4.6842 -4.6842 7.5642 7.5642 11.4662 11.4662 11.4798 11.4798 19.5998 19.5998 23.9394 23.9394 24.9509 24.9509 24.9742 24.9742 k = 0.2609 0.1506 0.1065 ( 516 PWs) bands (ev): -4.6111 -4.6111 7.3847 7.3847 11.4393 11.4393 11.4528 11.4528 19.5600 19.5600 24.0377 24.0377 24.8986 24.8986 24.9230 24.9230 k = 0.2681 0.1548 0.1095 ( 516 PWs) bands (ev): -4.5365 -4.5365 7.2059 7.2059 11.4126 11.4126 11.4260 11.4260 19.5193 19.5193 24.1381 24.1381 24.8445 24.8445 24.8699 24.8699 k = 0.2754 0.1590 0.1124 ( 516 PWs) bands (ev): -4.4607 -4.4607 7.0280 7.0280 11.3863 11.3863 11.3996 11.3996 19.4780 19.4780 24.2406 24.2406 24.7892 24.7892 24.8155 24.8155 k = 0.2826 0.1632 0.1154 ( 516 PWs) bands (ev): -4.3836 -4.3836 6.8512 6.8512 11.3604 11.3604 11.3736 11.3736 19.4365 19.4365 24.3448 24.3448 24.7332 24.7332 24.7603 24.7603 k = 0.2899 0.1673 0.1183 ( 516 PWs) bands (ev): -4.3055 -4.3055 6.6758 6.6758 11.3350 11.3350 11.3480 11.3480 19.3950 19.3950 24.4501 24.4501 24.6769 24.6769 24.7047 24.7047 k = 0.2971 0.1715 0.1213 ( 516 PWs) bands (ev): -4.2263 -4.2263 6.5020 6.5020 11.3100 11.3100 11.3230 11.3230 19.3537 19.3537 24.5559 24.5559 24.6206 24.6206 24.6491 24.6491 k = 0.3043 0.1757 0.1242 ( 516 PWs) bands (ev): -4.1463 -4.1463 6.3297 6.3297 11.2856 11.2856 11.2984 11.2984 19.3130 19.3130 24.5646 24.5646 24.5938 24.5938 24.6621 24.6621 k = 0.3116 0.1799 0.1272 ( 516 PWs) bands (ev): -4.0655 -4.0655 6.1595 6.1595 11.2617 11.2617 11.2745 11.2745 19.2731 19.2731 24.5093 24.5093 24.5391 24.5391 24.7678 24.7678 k = 0.3188 0.1841 0.1302 ( 516 PWs) bands (ev): -3.9841 -3.9841 5.9915 5.9915 11.2385 11.2385 11.2511 11.2511 19.2339 19.2339 24.4548 24.4548 24.4852 24.4852 24.8730 24.8730 k = 0.3261 0.1883 0.1331 ( 516 PWs) bands (ev): -3.9022 -3.9022 5.8259 5.8259 11.2158 11.2158 11.2284 11.2284 19.1958 19.1958 24.4015 24.4015 24.4324 24.4324 24.9771 24.9771 k = 0.3333 0.1925 0.1361 ( 516 PWs) bands (ev): -3.8199 -3.8199 5.6629 5.6629 11.1939 11.1939 11.2063 11.2063 19.1588 19.1588 24.3495 24.3495 24.3809 24.3809 25.0799 25.0799 k = 0.3406 0.1966 0.1390 ( 516 PWs) bands (ev): -3.7376 -3.7376 5.5028 5.5028 11.1727 11.1727 11.1850 11.1850 19.1230 19.1230 24.2989 24.2989 24.3307 24.3307 25.1808 25.1808 k = 0.3478 0.2008 0.1420 ( 516 PWs) bands (ev): -3.6553 -3.6553 5.3459 5.3459 11.1522 11.1522 11.1644 11.1644 19.0885 19.0885 24.2499 24.2499 24.2821 24.2821 25.2797 25.2797 k = 0.3551 0.2050 0.1450 ( 516 PWs) bands (ev): -3.5733 -3.5733 5.1923 5.1923 11.1324 11.1324 11.1446 11.1446 19.0554 19.0554 24.2025 24.2025 24.2352 24.2352 25.3762 25.3762 k = 0.3623 0.2092 0.1479 ( 516 PWs) bands (ev): -3.4918 -3.4918 5.0424 5.0424 11.1135 11.1135 11.1256 11.1256 19.0238 19.0238 24.1571 24.1571 24.1901 24.1901 25.4700 25.4700 k = 0.3696 0.2134 0.1509 ( 516 PWs) bands (ev): -3.4111 -3.4111 4.8965 4.8965 11.0953 11.0953 11.1073 11.1073 18.9936 18.9936 24.1135 24.1135 24.1469 24.1469 25.5609 25.5609 k = 0.3768 0.2176 0.1538 ( 516 PWs) bands (ev): -3.3314 -3.3314 4.7549 4.7549 11.0781 11.0781 11.0900 11.0900 18.9649 18.9649 24.0719 24.0719 24.1056 24.1056 25.6484 25.6484 k = 0.3841 0.2217 0.1568 ( 516 PWs) bands (ev): -3.2531 -3.2531 4.6180 4.6180 11.0617 11.0617 11.0735 11.0735 18.9377 18.9377 24.0324 24.0324 24.0664 24.0664 25.7322 25.7322 k = 0.3913 0.2259 0.1597 ( 516 PWs) bands (ev): -3.1764 -3.1764 4.4861 4.4861 11.0461 11.0461 11.0579 11.0579 18.9122 18.9122 23.9950 23.9950 24.0293 24.0293 25.8122 25.8122 k = 0.3986 0.2301 0.1627 ( 516 PWs) bands (ev): -3.1017 -3.1017 4.3596 4.3596 11.0315 11.0315 11.0432 11.0432 18.8882 18.8882 23.9598 23.9598 23.9944 23.9944 25.8881 25.8881 k = 0.4058 0.2343 0.1657 ( 516 PWs) bands (ev): -3.0294 -3.0294 4.2389 4.2389 11.0179 11.0179 11.0295 11.0295 18.8659 18.8659 23.9269 23.9269 23.9617 23.9617 25.9597 25.9597 k = 0.4130 0.2385 0.1686 ( 516 PWs) bands (ev): -2.9598 -2.9598 4.1245 4.1245 11.0051 11.0051 11.0167 11.0167 18.8452 18.8452 23.8963 23.8963 23.9313 23.9313 26.0267 26.0267 k = 0.4203 0.2427 0.1716 ( 516 PWs) bands (ev): -2.8935 -2.8935 4.0167 4.0167 10.9934 10.9934 11.0049 11.0049 18.8261 18.8261 23.8679 23.8679 23.9031 23.9031 26.0890 26.0890 k = 0.4275 0.2468 0.1745 ( 522 PWs) bands (ev): -2.8308 -2.8308 3.9160 3.9160 10.9825 10.9825 10.9940 10.9940 18.8086 18.8086 23.8420 23.8420 23.8773 23.8773 26.1461 26.1461 k = 0.4348 0.2510 0.1775 ( 522 PWs) bands (ev): -2.7721 -2.7721 3.8230 3.8230 10.9727 10.9727 10.9842 10.9842 18.7928 18.7928 23.8184 23.8184 23.8539 23.8539 26.1983 26.1983 k = 0.4420 0.2552 0.1805 ( 522 PWs) bands (ev): -2.7180 -2.7180 3.7381 3.7381 10.9639 10.9639 10.9753 10.9753 18.7787 18.7787 23.7973 23.7973 23.8329 23.8329 26.2454 26.2454 k = 0.4493 0.2594 0.1834 ( 511 PWs) bands (ev): -2.6689 -2.6689 3.6618 3.6618 10.9564 10.9564 10.9678 10.9678 18.7662 18.7662 23.7786 23.7786 23.8144 23.8144 26.2872 26.2872 k = 0.4565 0.2636 0.1864 ( 511 PWs) bands (ev): -2.6253 -2.6253 3.5945 3.5945 10.9496 10.9496 10.9610 10.9610 18.7554 18.7554 23.7624 23.7624 23.7982 23.7982 26.3236 26.3236 k = 0.4638 0.2678 0.1893 ( 511 PWs) bands (ev): -2.5875 -2.5875 3.5367 3.5367 10.9439 10.9439 10.9552 10.9552 18.7463 18.7463 23.7486 23.7486 23.7846 23.7846 26.3545 26.3545 k = 0.4710 0.2719 0.1923 ( 511 PWs) bands (ev): -2.5560 -2.5560 3.4888 3.4888 10.9392 10.9392 10.9505 10.9505 18.7388 18.7388 23.7373 23.7373 23.7733 23.7733 26.3798 26.3798 k = 0.4783 0.2761 0.1952 ( 511 PWs) bands (ev): -2.5311 -2.5311 3.4511 3.4511 10.9355 10.9355 10.9468 10.9468 18.7330 18.7330 23.7285 23.7285 23.7646 23.7646 26.3996 26.3996 k = 0.4855 0.2803 0.1982 ( 502 PWs) bands (ev): -2.5131 -2.5131 3.4241 3.4241 10.9329 10.9329 10.9442 10.9442 18.7288 18.7288 23.7222 23.7222 23.7584 23.7584 26.4146 26.4146 k = 0.4928 0.2845 0.2012 ( 502 PWs) bands (ev): -2.5022 -2.5022 3.4078 3.4078 10.9314 10.9314 10.9426 10.9426 18.7263 18.7263 23.7184 23.7184 23.7546 23.7546 26.4230 26.4230 k = 0.5000 0.2887 0.2041 ( 502 PWs) bands (ev): -2.4986 -2.4986 3.4023 3.4023 10.9308 10.9308 10.9421 10.9421 18.7255 18.7255 23.7172 23.7172 23.7534 23.7534 26.4259 26.4259 k = 0.5000 0.2887 0.2041 ( 502 PWs) bands (ev): -2.4986 -2.4986 3.4023 3.4023 10.9308 10.9308 10.9421 10.9421 18.7255 18.7255 23.7172 23.7172 23.7534 23.7534 26.4259 26.4259 k = 0.5026 0.2813 0.2083 ( 502 PWs) bands (ev): -2.4978 -2.4978 3.4035 3.4035 10.9271 10.9271 10.9392 10.9392 18.7306 18.7306 23.7137 23.7137 23.7515 23.7515 26.4247 26.4247 k = 0.5051 0.2739 0.2125 ( 502 PWs) bands (ev): -2.4956 -2.4956 3.4071 3.4071 10.9129 10.9129 10.9339 10.9339 18.7459 18.7459 23.6963 23.6963 23.7531 23.7531 26.4213 26.4213 k = 0.5077 0.2666 0.2166 ( 506 PWs) bands (ev): -2.4918 -2.4918 3.4130 3.4130 10.8864 10.8864 10.9278 10.9278 18.7712 18.7712 23.6598 23.6598 23.7642 23.7642 26.4153 26.4153 k = 0.5102 0.2592 0.2208 ( 510 PWs) bands (ev): -2.4866 -2.4866 3.4213 3.4213 10.8489 10.8489 10.9201 10.9201 18.8061 18.8061 23.6073 23.6073 23.7828 23.7828 26.4065 26.4065 k = 0.5128 0.2519 0.2250 ( 512 PWs) bands (ev): -2.4799 -2.4799 3.4320 3.4320 10.8010 10.8010 10.9106 10.9106 18.8503 18.8503 23.5414 23.5414 23.8077 23.8077 26.3946 26.3946 k = 0.5153 0.2445 0.2291 ( 515 PWs) bands (ev): -2.4717 -2.4717 3.4450 3.4450 10.7434 10.7434 10.8992 10.8992 18.9030 18.9030 23.4643 23.4643 23.8385 23.8385 26.3793 26.3793 k = 0.5179 0.2371 0.2333 ( 515 PWs) bands (ev): -2.4621 -2.4621 3.4604 3.4604 10.6765 10.6765 10.8859 10.8859 18.9638 18.9638 23.3780 23.3780 23.8749 23.8749 26.3608 26.3608 k = 0.5204 0.2298 0.2375 ( 519 PWs) bands (ev): -2.4510 -2.4510 3.4782 3.4782 10.6008 10.6008 10.8706 10.8706 19.0317 19.0317 23.2842 23.2842 23.9168 23.9168 26.3386 26.3386 k = 0.5230 0.2224 0.2416 ( 519 PWs) bands (ev): -2.4385 -2.4385 3.4983 3.4983 10.5169 10.5169 10.8536 10.8536 19.1060 19.1060 23.1850 23.1850 23.9640 23.9640 26.3127 26.3127 k = 0.5255 0.2150 0.2458 ( 517 PWs) bands (ev): -2.4245 -2.4245 3.5207 3.5207 10.4255 10.4255 10.8350 10.8350 19.1856 19.1856 23.0820 23.0820 24.0163 24.0163 26.2829 26.2829 k = 0.5281 0.2077 0.2499 ( 515 PWs) bands (ev): -2.4092 -2.4092 3.5455 3.5455 10.3271 10.3271 10.8146 10.8146 19.2696 19.2696 22.9770 22.9770 24.0738 24.0738 26.2493 26.2493 k = 0.5306 0.2003 0.2541 ( 517 PWs) bands (ev): -2.3925 -2.3925 3.5725 3.5725 10.2222 10.2222 10.7926 10.7926 19.3567 19.3567 22.8716 22.8716 24.1361 24.1361 26.2116 26.2116 k = 0.5332 0.1929 0.2583 ( 515 PWs) bands (ev): -2.3744 -2.3744 3.6019 3.6019 10.1115 10.1115 10.7691 10.7691 19.4457 19.4457 22.7675 22.7675 24.2031 24.2031 26.1703 26.1703 k = 0.5357 0.1856 0.2624 ( 515 PWs) bands (ev): -2.3550 -2.3550 3.6335 3.6335 9.9955 9.9955 10.7442 10.7442 19.5350 19.5350 22.6664 22.6664 24.2747 24.2747 26.1252 26.1252 k = 0.5383 0.1782 0.2666 ( 515 PWs) bands (ev): -2.3343 -2.3343 3.6673 3.6673 9.8748 9.8748 10.7180 10.7180 19.6230 19.6230 22.5701 22.5701 24.3506 24.3506 26.0764 26.0764 k = 0.5408 0.1708 0.2708 ( 517 PWs) bands (ev): -2.3124 -2.3124 3.7034 3.7034 9.7498 9.7498 10.6905 10.6905 19.7078 19.7078 22.4805 22.4805 24.4308 24.4308 26.0239 26.0239 k = 0.5434 0.1635 0.2749 ( 517 PWs) bands (ev): -2.2892 -2.2892 3.7417 3.7417 9.6212 9.6212 10.6618 10.6618 19.7873 19.7873 22.3998 22.3998 24.5150 24.5150 25.9680 25.9680 k = 0.5459 0.1561 0.2791 ( 521 PWs) bands (ev): -2.2649 -2.2649 3.7822 3.7822 9.4892 9.4892 10.6321 10.6321 19.8592 19.8592 22.3300 22.3300 24.6029 24.6029 25.9086 25.9086 k = 0.5485 0.1488 0.2833 ( 521 PWs) bands (ev): -2.2395 -2.2395 3.8249 3.8249 9.3545 9.3545 10.6015 10.6015 19.9211 19.9211 22.2736 22.2736 24.6943 24.6943 25.8463 25.8463 k = 0.5510 0.1414 0.2874 ( 521 PWs) bands (ev): -2.2129 -2.2129 3.8696 3.8696 9.2174 9.2174 10.5701 10.5701 19.9704 19.9704 22.2327 22.2327 24.7891 24.7891 25.7810 25.7810 k = 0.5536 0.1340 0.2916 ( 521 PWs) bands (ev): -2.1853 -2.1853 3.9165 3.9165 9.0784 9.0784 10.5379 10.5379 20.0052 20.0052 22.2092 22.2092 24.8870 24.8870 25.7130 25.7130 k = 0.5561 0.1267 0.2958 ( 521 PWs) bands (ev): -2.1567 -2.1567 3.9654 3.9654 8.9379 8.9379 10.5050 10.5050 20.0240 20.0240 22.2040 22.2040 24.9877 24.9877 25.6426 25.6426 k = 0.5587 0.1193 0.2999 ( 522 PWs) bands (ev): -2.1273 -2.1273 4.0164 4.0164 8.7961 8.7961 10.4716 10.4716 20.0262 20.0262 22.2173 22.2173 25.0909 25.0909 25.5702 25.5702 k = 0.5612 0.1119 0.3041 ( 518 PWs) bands (ev): -2.0969 -2.0969 4.0693 4.0693 8.6535 8.6535 10.4378 10.4378 20.0123 20.0123 22.2480 22.2480 25.1964 25.1964 25.4964 25.4964 k = 0.5638 0.1046 0.3083 ( 516 PWs) bands (ev): -2.0658 -2.0658 4.1242 4.1242 8.5105 8.5105 10.4036 10.4036 19.9838 19.9838 22.2942 22.2942 25.3039 25.3039 25.4214 25.4214 k = 0.5663 0.0972 0.3124 ( 518 PWs) bands (ev): -2.0339 -2.0339 4.1808 4.1808 8.3673 8.3673 10.3691 10.3691 19.9426 19.9426 22.3531 22.3531 25.3457 25.3457 25.4133 25.4133 k = 0.5689 0.0898 0.3166 ( 518 PWs) bands (ev): -2.0015 -2.0015 4.2393 4.2393 8.2243 8.2243 10.3345 10.3345 19.8909 19.8909 22.4216 22.4216 25.2708 25.2708 25.5238 25.5238 k = 0.5714 0.0825 0.3208 ( 518 PWs) bands (ev): -1.9685 -1.9685 4.2994 4.2994 8.0819 8.0819 10.2997 10.2997 19.8308 19.8308 22.4965 22.4965 25.1973 25.1973 25.6356 25.6356 k = 0.5740 0.0751 0.3249 ( 519 PWs) bands (ev): -1.9351 -1.9351 4.3612 4.3612 7.9404 7.9404 10.2650 10.2650 19.7643 19.7643 22.5743 22.5743 25.1265 25.1265 25.7481 25.7481 k = 0.5765 0.0678 0.3291 ( 517 PWs) bands (ev): -1.9013 -1.9013 4.4245 4.4245 7.8002 7.8002 10.2304 10.2304 19.6932 19.6932 22.6520 22.6520 25.0600 25.0600 25.8610 25.8610 k = 0.5791 0.0604 0.3333 ( 517 PWs) bands (ev): -1.8674 -1.8674 4.4891 4.4891 7.6615 7.6615 10.1959 10.1959 19.6189 19.6189 22.7256 22.7256 24.9996 24.9996 25.9741 25.9741 k = 0.5816 0.0530 0.3374 ( 517 PWs) bands (ev): -1.8333 -1.8333 4.5550 4.5550 7.5248 7.5248 10.1617 10.1617 19.5426 19.5426 22.7920 22.7920 24.9476 24.9476 26.0871 26.0871 k = 0.5842 0.0457 0.3416 ( 517 PWs) bands (ev): -1.7992 -1.7992 4.6219 4.6219 7.3905 7.3905 10.1279 10.1279 19.4652 19.4652 22.8479 22.8479 24.9061 24.9061 26.1995 26.1995 k = 0.5867 0.0383 0.3458 ( 515 PWs) bands (ev): -1.7654 -1.7654 4.6897 4.6897 7.2591 7.2591 10.0944 10.0944 19.3875 19.3875 22.8900 22.8900 24.8775 24.8775 26.3110 26.3110 k = 0.5893 0.0309 0.3499 ( 515 PWs) bands (ev): -1.7318 -1.7318 4.7579 4.7579 7.1311 7.1311 10.0614 10.0614 19.3102 19.3102 22.9155 22.9155 24.8635 24.8635 26.4214 26.4214 k = 0.5918 0.0236 0.3541 ( 515 PWs) bands (ev): -1.6987 -1.6987 4.8262 4.8262 7.0070 7.0070 10.0290 10.0290 19.2338 19.2338 22.9227 22.9227 24.8655 24.8655 26.5303 26.5303 k = 0.5944 0.0162 0.3583 ( 515 PWs) bands (ev): -1.6662 -1.6662 4.8942 4.8942 6.8878 6.8878 9.9971 9.9971 19.1587 19.1587 22.9109 22.9109 24.8834 24.8834 26.6374 26.6374 k = 0.5969 0.0088 0.3624 ( 515 PWs) bands (ev): -1.6346 -1.6346 4.9611 4.9611 6.7742 6.7742 9.9660 9.9660 19.0853 19.0853 22.8807 22.8807 24.9160 24.9160 26.7425 26.7425 k = 0.5995 0.0015 0.3666 ( 515 PWs) bands (ev): -1.6039 -1.6039 5.0261 5.0261 6.6673 6.6673 9.9355 9.9355 19.0138 19.0138 22.8336 22.8336 24.9615 24.9615 26.8451 26.8451 k = 0.6020-0.0059 0.3708 ( 515 PWs) bands (ev): -1.5745 -1.5745 5.0879 5.0879 6.5686 6.5686 9.9059 9.9059 18.9445 18.9445 22.7717 22.7717 25.0172 25.0172 26.9452 26.9452 k = 0.6046-0.0133 0.3749 ( 515 PWs) bands (ev): -1.5464 -1.5464 5.1449 5.1449 6.4800 6.4800 9.8771 9.8771 18.8777 18.8777 22.6973 22.6973 25.0803 25.0803 27.0425 27.0425 k = 0.6071-0.0206 0.3791 ( 515 PWs) bands (ev): -1.5200 -1.5200 5.1951 5.1951 6.4039 6.4039 9.8492 9.8492 18.8134 18.8134 22.6126 22.6126 25.1483 25.1483 27.1368 27.1368 k = 0.6097-0.0280 0.3833 ( 512 PWs) bands (ev): -1.4954 -1.4954 5.2357 5.2357 6.3429 6.3429 9.8223 9.8223 18.7518 18.7518 22.5196 22.5196 25.2189 25.2189 27.2280 27.2280 k = 0.6122-0.0353 0.3874 ( 512 PWs) bands (ev): -1.4729 -1.4729 5.2641 5.2641 6.3003 6.3003 9.7964 9.7964 18.6930 18.6930 22.4199 22.4199 25.2898 25.2898 27.3157 27.3157 k = 0.6148-0.0427 0.3916 ( 510 PWs) bands (ev): -1.4527 -1.4527 5.2780 5.2780 6.2784 6.2784 9.7714 9.7714 18.6372 18.6372 22.3151 22.3151 25.3596 25.3596 27.4000 27.4000 k = 0.6173-0.0501 0.3958 ( 510 PWs) bands (ev): -1.4351 -1.4351 5.2767 5.2767 6.2781 6.2781 9.7476 9.7476 18.5845 18.5845 22.2062 22.2062 25.4266 25.4266 27.4808 27.4808 k = 0.6199-0.0574 0.3999 ( 510 PWs) bands (ev): -1.4203 -1.4203 5.2615 5.2615 6.2985 6.2985 9.7249 9.7249 18.5349 18.5349 22.0942 22.0942 25.4897 25.4897 27.5581 27.5581 k = 0.6224-0.0648 0.4041 ( 512 PWs) bands (ev): -1.4084 -1.4084 5.2352 5.2352 6.3368 6.3368 9.7032 9.7032 18.4884 18.4884 21.9801 21.9801 25.5482 25.5482 27.6318 27.6318 k = 0.6250-0.0722 0.4082 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.6250-0.0722 0.4082 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.6207-0.0697 0.4153 ( 510 PWs) bands (ev): -1.3995 -1.3995 5.2026 5.2026 6.3901 6.3901 9.6779 9.6779 18.4524 18.4524 21.8650 21.8650 25.5978 25.5978 27.6885 27.6885 k = 0.6164-0.0672 0.4223 ( 508 PWs) bands (ev): -1.3985 -1.3985 5.2057 5.2057 6.3913 6.3913 9.6628 9.6628 18.4738 18.4738 21.8670 21.8670 25.5876 25.5876 27.6492 27.6492 k = 0.6121-0.0647 0.4294 ( 508 PWs) bands (ev): -1.3967 -1.3967 5.2110 5.2110 6.3933 6.3933 9.6379 9.6379 18.5092 18.5092 21.8702 21.8702 25.5704 25.5704 27.5874 27.5874 k = 0.6078-0.0622 0.4364 ( 508 PWs) bands (ev): -1.3942 -1.3942 5.2183 5.2183 6.3960 6.3960 9.6036 9.6036 18.5583 18.5583 21.8748 21.8748 25.5464 25.5464 27.5074 27.5074 k = 0.6034-0.0597 0.4434 ( 508 PWs) bands (ev): -1.3911 -1.3911 5.2278 5.2278 6.3995 6.3995 9.5603 9.5603 18.6204 18.6204 21.8807 21.8807 25.5157 25.5157 27.4136 27.4136 k = 0.5991-0.0572 0.4505 ( 508 PWs) bands (ev): -1.3873 -1.3873 5.2393 5.2393 6.4035 6.4035 9.5087 9.5087 18.6950 18.6950 21.8879 21.8879 25.4784 25.4784 27.3096 27.3096 k = 0.5948-0.0547 0.4575 ( 512 PWs) bands (ev): -1.3828 -1.3828 5.2529 5.2529 6.4081 6.4081 9.4493 9.4493 18.7814 18.7814 21.8966 21.8966 25.4344 25.4344 27.1982 27.1982 k = 0.5905-0.0523 0.4646 ( 512 PWs) bands (ev): -1.3778 -1.3778 5.2686 5.2686 6.4130 6.4130 9.3830 9.3830 18.8786 18.8786 21.9069 21.9069 25.3843 25.3843 27.0819 27.0819 k = 0.5862-0.0498 0.4716 ( 510 PWs) bands (ev): -1.3722 -1.3722 5.2864 5.2864 6.4182 6.4182 9.3108 9.3108 18.9857 18.9857 21.9188 21.9188 25.3279 25.3279 26.9625 26.9625 k = 0.5819-0.0473 0.4786 ( 510 PWs) bands (ev): -1.3660 -1.3660 5.3063 5.3063 6.4235 6.4235 9.2333 9.2333 19.1018 19.1018 21.9325 21.9326 25.2655 25.2655 26.8413 26.8413 k = 0.5776-0.0448 0.4857 ( 512 PWs) bands (ev): -1.3594 -1.3594 5.3282 5.3282 6.4285 6.4285 9.1515 9.1515 19.2256 19.2256 21.9483 21.9483 25.1972 25.1972 26.7194 26.7194 k = 0.5733-0.0423 0.4927 ( 512 PWs) bands (ev): -1.3524 -1.3524 5.3522 5.3522 6.4332 6.4332 9.0664 9.0664 19.3560 19.3560 21.9662 21.9662 25.1233 25.1233 26.5978 26.5978 k = 0.5690-0.0398 0.4998 ( 510 PWs) bands (ev): -1.3449 -1.3449 5.3782 5.3782 6.4372 6.4372 8.9791 8.9791 19.4919 19.4919 21.9868 21.9868 25.0439 25.0439 26.4774 26.4774 k = 0.5647-0.0373 0.5068 ( 510 PWs) bands (ev): -1.3372 -1.3372 5.4063 5.4063 6.4402 6.4402 8.8904 8.8904 19.6315 19.6315 22.0105 22.0105 24.9594 24.9594 26.3587 26.3587 k = 0.5603-0.0348 0.5138 ( 510 PWs) bands (ev): -1.3292 -1.3292 5.4365 5.4365 6.4417 6.4417 8.8014 8.8014 19.7736 19.7736 22.0379 22.0379 24.8699 24.8699 26.2424 26.2424 k = 0.5560-0.0324 0.5209 ( 510 PWs) bands (ev): -1.3211 -1.3211 5.4686 5.4686 6.4414 6.4414 8.7131 8.7131 19.9162 19.9162 22.0696 22.0696 24.7759 24.7759 26.1292 26.1292 k = 0.5517-0.0299 0.5279 ( 508 PWs) bands (ev): -1.3128 -1.3128 5.5028 5.5028 6.4387 6.4387 8.6267 8.6267 20.0577 20.0577 22.1068 22.1068 24.6774 24.6774 26.0197 26.0197 k = 0.5474-0.0274 0.5349 ( 508 PWs) bands (ev): -1.3046 -1.3046 5.5390 5.5390 6.4332 6.4332 8.5432 8.5432 20.1957 20.1957 22.1505 22.1505 24.5748 24.5748 25.9144 25.9144 k = 0.5431-0.0249 0.5420 ( 514 PWs) bands (ev): -1.2964 -1.2964 5.5772 5.5772 6.4240 6.4240 8.4636 8.4636 20.3281 20.3281 22.2018 22.2018 24.4681 24.4681 25.8140 25.8140 k = 0.5388-0.0224 0.5490 ( 514 PWs) bands (ev): -1.2884 -1.2884 5.6173 5.6173 6.4110 6.4110 8.3892 8.3892 20.4523 20.4523 22.2624 22.2624 24.3580 24.3580 25.7190 25.7190 k = 0.5345-0.0199 0.5561 ( 512 PWs) bands (ev): -1.2808 -1.2808 5.6595 5.6595 6.3933 6.3933 8.3208 8.3208 20.5661 20.5661 22.3334 22.3334 24.2446 24.2446 25.6302 25.6302 k = 0.5302-0.0174 0.5631 ( 512 PWs) bands (ev): -1.2735 -1.2735 5.7036 5.7036 6.3706 6.3706 8.2594 8.2594 20.6674 20.6674 22.4159 22.4159 24.1282 24.1282 25.5483 25.5483 k = 0.5259-0.0149 0.5701 ( 516 PWs) bands (ev): -1.2668 -1.2668 5.7496 5.7496 6.3424 6.3424 8.2057 8.2057 20.7544 20.7544 22.5102 22.5102 24.0089 24.0089 25.4739 25.4739 k = 0.5216-0.0124 0.5772 ( 516 PWs) bands (ev): -1.2607 -1.2607 5.7975 5.7975 6.3087 6.3087 8.1603 8.1603 20.8265 20.8265 22.6160 22.6160 23.8873 23.8873 25.4079 25.4079 k = 0.5172-0.0100 0.5842 ( 516 PWs) bands (ev): -1.2554 -1.2554 5.8474 5.8474 6.2695 6.2695 8.1235 8.1235 20.8833 20.8833 22.7321 22.7321 23.7634 23.7634 25.3513 25.3513 k = 0.5129-0.0075 0.5913 ( 516 PWs) bands (ev): -1.2510 -1.2510 5.8991 5.8991 6.2250 6.2250 8.0955 8.0955 20.9256 20.9256 22.8564 22.8564 23.6376 23.6376 25.3050 25.3050 k = 0.5086-0.0050 0.5983 ( 516 PWs) bands (ev): -1.2477 -1.2477 5.9527 5.9527 6.1757 6.1757 8.0759 8.0759 20.9542 20.9542 22.9864 22.9864 23.5101 23.5101 25.2703 25.2703 k = 0.5043-0.0025 0.6053 ( 516 PWs) bands (ev): -1.2456 -1.2456 6.0081 6.0081 6.1223 6.1223 8.0646 8.0646 20.9704 20.9704 23.1189 23.1189 23.3811 23.3811 25.2484 25.2484 k = 0.5000-0.0000 0.6124 ( 516 PWs) bands (ev): -1.2449 -1.2449 6.0629 6.0629 6.0680 6.0680 8.0609 8.0609 20.9756 20.9756 23.2476 23.2476 23.2544 23.2544 25.2408 25.2408 k = 0.5000-0.0000 0.6124 ( 516 PWs) bands (ev): -1.2449 -1.2449 6.0629 6.0629 6.0680 6.0680 8.0609 8.0609 20.9756 20.9756 23.2476 23.2476 23.2544 23.2544 25.2408 25.2408 k = 0.5000 0.0051 0.6052 ( 516 PWs) bands (ev): -1.2461 -1.2461 6.0593 6.0593 6.0693 6.0693 8.0668 8.0668 20.9746 20.9746 23.2439 23.2439 23.2558 23.2558 25.2464 25.2464 k = 0.5000 0.0101 0.5980 ( 516 PWs) bands (ev): -1.2500 -1.2500 6.0437 6.0437 6.0782 6.0782 8.0842 8.0842 20.9717 20.9717 23.2269 23.2269 23.2665 23.2665 25.2630 25.2630 k = 0.5000 0.0152 0.5909 ( 516 PWs) bands (ev): -1.2564 -1.2564 6.0177 6.0177 6.0938 6.0938 8.1125 8.1125 20.9670 20.9670 23.1982 23.1982 23.2852 23.2852 25.2899 25.2899 k = 0.5000 0.0203 0.5837 ( 516 PWs) bands (ev): -1.2653 -1.2653 5.9824 5.9824 6.1157 6.1157 8.1508 8.1508 20.9607 20.9607 23.1593 23.1593 23.3112 23.3112 25.3260 25.3260 k = 0.5000 0.0253 0.5766 ( 516 PWs) bands (ev): -1.2766 -1.2766 5.9389 5.9389 6.1437 6.1437 8.1981 8.1981 20.9532 20.9532 23.1112 23.1112 23.3441 23.3441 25.3700 25.3700 k = 0.5000 0.0304 0.5694 ( 516 PWs) bands (ev): -1.2903 -1.2903 5.8884 5.8884 6.1778 6.1778 8.2532 8.2532 20.9448 20.9448 23.0553 23.0553 23.3836 23.3836 25.4205 25.4205 k = 0.5000 0.0355 0.5622 ( 514 PWs) bands (ev): -1.3063 -1.3063 5.8320 5.8320 6.2178 6.2178 8.3149 8.3149 20.9359 20.9359 22.9926 22.9926 23.4292 23.4292 25.4760 25.4760 k = 0.5000 0.0405 0.5551 ( 514 PWs) bands (ev): -1.3244 -1.3244 5.7708 5.7708 6.2637 6.2637 8.3823 8.3823 20.9270 20.9270 22.9243 22.9243 23.4806 23.4806 25.5350 25.5350 k = 0.5000 0.0456 0.5479 ( 512 PWs) bands (ev): -1.3446 -1.3446 5.7056 5.7056 6.3153 6.3153 8.4542 8.4542 20.9184 20.9184 22.8512 22.8512 23.5372 23.5372 25.5962 25.5962 k = 0.5000 0.0506 0.5407 ( 512 PWs) bands (ev): -1.3667 -1.3667 5.6372 5.6372 6.3723 6.3723 8.5298 8.5298 20.9105 20.9105 22.7741 22.7741 23.5986 23.5986 25.6583 25.6583 k = 0.5000 0.0557 0.5336 ( 512 PWs) bands (ev): -1.3907 -1.3907 5.5665 5.5665 6.4348 6.4348 8.6085 8.6085 20.9039 20.9039 22.6938 22.6938 23.6644 23.6644 25.7200 25.7200 k = 0.5000 0.0608 0.5264 ( 512 PWs) bands (ev): -1.4163 -1.4163 5.4939 5.4939 6.5025 6.5025 8.6894 8.6894 20.8988 20.8988 22.6107 22.6107 23.7341 23.7341 25.7801 25.7801 k = 0.5000 0.0658 0.5193 ( 512 PWs) bands (ev): -1.4434 -1.4434 5.4201 5.4201 6.5752 6.5752 8.7721 8.7721 20.8958 20.8958 22.5254 22.5254 23.8073 23.8073 25.8373 25.8373 k = 0.5000 0.0709 0.5121 ( 512 PWs) bands (ev): -1.4719 -1.4719 5.3453 5.3453 6.6527 6.6527 8.8559 8.8559 20.8951 20.8951 22.4382 22.4382 23.8836 23.8836 25.8904 25.8904 k = 0.5000 0.0760 0.5049 ( 512 PWs) bands (ev): -1.5017 -1.5017 5.2701 5.2701 6.7350 6.7350 8.9406 8.9406 20.8970 20.8970 22.3494 22.3494 23.9627 23.9627 25.9383 25.9383 k = 0.5000 0.0810 0.4978 ( 514 PWs) bands (ev): -1.5325 -1.5325 5.1947 5.1947 6.8216 6.8216 9.0256 9.0256 20.9020 20.9020 22.2592 22.2592 24.0441 24.0441 25.9796 25.9796 k = 0.5000 0.0861 0.4906 ( 514 PWs) bands (ev): -1.5644 -1.5644 5.1195 5.1195 6.9126 6.9126 9.1106 9.1106 20.9102 20.9102 22.1679 22.1679 24.1276 24.1276 26.0135 26.0135 k = 0.5000 0.0912 0.4835 ( 514 PWs) bands (ev): -1.5970 -1.5970 5.0446 5.0446 7.0076 7.0076 9.1953 9.1953 20.9220 20.9220 22.0755 22.0755 24.2127 24.2127 26.0386 26.0386 k = 0.5000 0.0962 0.4763 ( 510 PWs) bands (ev): -1.6303 -1.6303 4.9702 4.9702 7.1065 7.1065 9.2796 9.2796 20.9376 20.9376 21.9823 21.9823 24.2993 24.2993 26.0542 26.0542 k = 0.5000 0.1013 0.4691 ( 516 PWs) bands (ev): -1.6642 -1.6642 4.8966 4.8966 7.2090 7.2090 9.3628 9.3628 20.9571 20.9571 21.8880 21.8880 24.3869 24.3869 26.0591 26.0591 k = 0.5000 0.1064 0.4620 ( 516 PWs) bands (ev): -1.6985 -1.6985 4.8239 4.8239 7.3150 7.3150 9.4451 9.4451 20.9808 20.9808 21.7930 21.7930 24.4753 24.4753 26.0530 26.0530 k = 0.5000 0.1114 0.4548 ( 516 PWs) bands (ev): -1.7330 -1.7330 4.7522 4.7522 7.4243 7.4243 9.5260 9.5260 21.0089 21.0089 21.6973 21.6973 24.5643 24.5643 26.0354 26.0354 k = 0.5000 0.1165 0.4476 ( 516 PWs) bands (ev): -1.7678 -1.7678 4.6817 4.6817 7.5365 7.5365 9.6056 9.6056 21.0415 21.0415 21.6009 21.6009 24.6534 24.6534 26.0063 26.0063 k = 0.5000 0.1215 0.4405 ( 516 PWs) bands (ev): -1.8026 -1.8026 4.6125 4.6125 7.6516 7.6516 9.6834 9.6834 21.0787 21.0787 21.5037 21.5037 24.7425 24.7425 25.9658 25.9658 k = 0.5000 0.1266 0.4333 ( 516 PWs) bands (ev): -1.8373 -1.8373 4.5446 4.5446 7.7693 7.7693 9.7595 9.7595 21.1205 21.1205 21.4058 21.4058 24.8313 24.8313 25.9144 25.9144 k = 0.5000 0.1317 0.4262 ( 516 PWs) bands (ev): -1.8719 -1.8719 4.4782 4.4782 7.8893 7.8893 9.8337 9.8337 21.1671 21.1671 21.3072 21.3072 24.9196 24.9196 25.8529 25.8529 k = 0.5000 0.1367 0.4190 ( 520 PWs) bands (ev): -1.9062 -1.9062 4.4134 4.4134 8.0113 8.0113 9.9057 9.9057 21.2042 21.2042 21.2220 21.2220 25.0070 25.0070 25.7819 25.7819 k = 0.5000 0.1418 0.4118 ( 520 PWs) bands (ev): -1.9402 -1.9402 4.3501 4.3501 8.1353 8.1353 9.9757 9.9757 21.1065 21.1065 21.2758 21.2758 25.0934 25.0934 25.7030 25.7030 k = 0.5000 0.1469 0.4047 ( 520 PWs) bands (ev): -1.9737 -1.9737 4.2886 4.2886 8.2610 8.2610 10.0433 10.0433 21.0054 21.0054 21.3371 21.3371 25.1786 25.1786 25.6171 25.6171 k = 0.5000 0.1519 0.3975 ( 520 PWs) bands (ev): -2.0067 -2.0067 4.2288 4.2288 8.3881 8.3881 10.1086 10.1086 20.9034 20.9034 21.4033 21.4033 25.2622 25.2622 25.5256 25.5256 k = 0.5000 0.1570 0.3903 ( 518 PWs) bands (ev): -2.0391 -2.0391 4.1708 4.1708 8.5163 8.5163 10.1715 10.1715 20.8006 20.8006 21.4743 21.4743 25.3441 25.3441 25.4296 25.4296 k = 0.5000 0.1621 0.3832 ( 518 PWs) bands (ev): -2.0708 -2.0708 4.1146 4.1146 8.6454 8.6454 10.2319 10.2319 20.6970 20.6970 21.5501 21.5501 25.3300 25.3300 25.4245 25.4245 k = 0.5000 0.1671 0.3760 ( 516 PWs) bands (ev): -2.1017 -2.1017 4.0604 4.0604 8.7750 8.7750 10.2898 10.2898 20.5927 20.5927 21.6306 21.6306 25.2286 25.2286 25.5026 25.5026 k = 0.5000 0.1722 0.3689 ( 516 PWs) bands (ev): -2.1318 -2.1318 4.0080 4.0080 8.9048 8.9048 10.3451 10.3451 20.4878 20.4878 21.7155 21.7155 25.1260 25.1260 25.5782 25.5782 k = 0.5000 0.1773 0.3617 ( 516 PWs) bands (ev): -2.1611 -2.1611 3.9577 3.9577 9.0345 9.0345 10.3978 10.3978 20.3823 20.3823 21.8047 21.8047 25.0233 25.0233 25.6514 25.6514 k = 0.5000 0.1823 0.3545 ( 516 PWs) bands (ev): -2.1894 -2.1894 3.9094 3.9094 9.1639 9.1639 10.4478 10.4478 20.2765 20.2765 21.8980 21.8980 24.9213 24.9213 25.7220 25.7220 k = 0.5000 0.1874 0.3474 ( 518 PWs) bands (ev): -2.2167 -2.2167 3.8631 3.8631 9.2924 9.2924 10.4953 10.4953 20.1705 20.1705 21.9952 21.9952 24.8209 24.8209 25.7897 25.7897 k = 0.5000 0.1925 0.3402 ( 518 PWs) bands (ev): -2.2429 -2.2429 3.8189 3.8189 9.4199 9.4199 10.5401 10.5401 20.0647 20.0647 22.0959 22.0959 24.7228 24.7228 25.8545 25.8545 k = 0.5000 0.1975 0.3330 ( 518 PWs) bands (ev): -2.2681 -2.2681 3.7768 3.7768 9.5457 9.5457 10.5824 10.5824 19.9592 19.9592 22.1998 22.1998 24.6274 24.6274 25.9163 25.9163 k = 0.5000 0.2026 0.3259 ( 516 PWs) bands (ev): -2.2921 -2.2921 3.7369 3.7369 9.6696 9.6696 10.6222 10.6222 19.8545 19.8545 22.3064 22.3064 24.5355 24.5355 25.9749 25.9749 k = 0.5000 0.2076 0.3187 ( 516 PWs) bands (ev): -2.3150 -2.3150 3.6991 3.6991 9.7909 9.7909 10.6593 10.6593 19.7510 19.7510 22.4154 22.4154 24.4475 24.4475 26.0300 26.0300 k = 0.5000 0.2127 0.3116 ( 516 PWs) bands (ev): -2.3366 -2.3366 3.6635 3.6635 9.9093 9.9093 10.6940 10.6940 19.6490 19.6490 22.5262 22.5262 24.3636 24.3636 26.0817 26.0817 k = 0.5000 0.2178 0.3044 ( 514 PWs) bands (ev): -2.3570 -2.3570 3.6301 3.6301 10.0242 10.0242 10.7263 10.7263 19.5492 19.5492 22.6381 22.6381 24.2844 24.2844 26.1299 26.1299 k = 0.5000 0.2228 0.2972 ( 514 PWs) bands (ev): -2.3762 -2.3762 3.5990 3.5990 10.1350 10.1350 10.7560 10.7560 19.4520 19.4520 22.7505 22.7505 24.2100 24.2100 26.1743 26.1743 k = 0.5000 0.2279 0.2901 ( 514 PWs) bands (ev): -2.3940 -2.3940 3.5700 3.5700 10.2413 10.2413 10.7834 10.7834 19.3581 19.3581 22.8625 22.8625 24.1406 24.1406 26.2150 26.2150 k = 0.5000 0.2330 0.2829 ( 514 PWs) bands (ev): -2.4105 -2.4105 3.5434 3.5434 10.3423 10.3423 10.8083 10.8083 19.2681 19.2681 22.9733 22.9733 24.0764 24.0764 26.2520 26.2520 k = 0.5000 0.2380 0.2757 ( 514 PWs) bands (ev): -2.4256 -2.4256 3.5190 3.5190 10.4375 10.4375 10.8310 10.8310 19.1827 19.1827 23.0818 23.0818 24.0176 24.0176 26.2851 26.2851 k = 0.5000 0.2431 0.2686 ( 514 PWs) bands (ev): -2.4393 -2.4393 3.4969 3.4969 10.5261 10.5261 10.8513 10.8513 19.1025 19.1025 23.1868 23.1868 23.9643 23.9643 26.3145 26.3145 k = 0.5000 0.2482 0.2614 ( 516 PWs) bands (ev): -2.4517 -2.4517 3.4771 3.4771 10.6076 10.6076 10.8694 10.8694 19.0283 19.0283 23.2870 23.2870 23.9165 23.9165 26.3400 26.3400 k = 0.5000 0.2532 0.2543 ( 516 PWs) bands (ev): -2.4626 -2.4626 3.4595 3.4595 10.6814 10.6814 10.8853 10.8853 18.9608 18.9608 23.3809 23.3809 23.8743 23.8743 26.3618 26.3618 k = 0.5000 0.2583 0.2471 ( 512 PWs) bands (ev): -2.4721 -2.4721 3.4444 3.4444 10.7469 10.7469 10.8990 10.8990 18.9007 18.9007 23.4671 23.4671 23.8378 23.8378 26.3804 26.3804 k = 0.5000 0.2634 0.2399 ( 512 PWs) bands (ev): -2.4802 -2.4802 3.4315 3.4315 10.8033 10.8033 10.9107 10.9107 18.8485 18.8485 23.5436 23.5436 23.8071 23.8071 26.3951 26.3951 k = 0.5000 0.2684 0.2328 ( 510 PWs) bands (ev): -2.4868 -2.4868 3.4210 3.4210 10.8502 10.8502 10.9202 10.9202 18.8050 18.8050 23.6089 23.6089 23.7823 23.7823 26.4068 26.4068 k = 0.5000 0.2735 0.2256 ( 506 PWs) bands (ev): -2.4919 -2.4919 3.4128 3.4128 10.8871 10.8871 10.9279 10.9279 18.7705 18.7705 23.6608 23.6608 23.7639 23.7639 26.4154 26.4154 k = 0.5000 0.2785 0.2184 ( 502 PWs) bands (ev): -2.4956 -2.4956 3.4070 3.4070 10.9132 10.9132 10.9340 10.9340 18.7456 18.7456 23.6967 23.6967 23.7531 23.7531 26.4213 26.4213 k = 0.5000 0.2836 0.2113 ( 502 PWs) bands (ev): -2.4978 -2.4978 3.4035 3.4035 10.9272 10.9272 10.9393 10.9393 18.7306 18.7306 23.7138 23.7138 23.7515 23.7515 26.4247 26.4247 k = 0.5000 0.2887 0.2041 ( 502 PWs) bands (ev): -2.4986 -2.4986 3.4023 3.4023 10.9308 10.9308 10.9421 10.9421 18.7255 18.7255 23.7172 23.7172 23.7534 23.7534 26.4259 26.4259 k = 0.5000 0.2887 0.2041 ( 502 PWs) bands (ev): -2.4986 -2.4986 3.4023 3.4023 10.9308 10.9308 10.9421 10.9421 18.7255 18.7255 23.7172 23.7172 23.7534 23.7534 26.4259 26.4259 k = 0.4974 0.2872 0.2125 ( 502 PWs) bands (ev): -2.4978 -2.4978 3.4035 3.4035 10.9271 10.9271 10.9392 10.9392 18.7306 18.7306 23.7137 23.7137 23.7515 23.7515 26.4247 26.4247 k = 0.4949 0.2857 0.2208 ( 502 PWs) bands (ev): -2.4956 -2.4956 3.4071 3.4071 10.9129 10.9129 10.9339 10.9339 18.7459 18.7459 23.6963 23.6963 23.7531 23.7531 26.4213 26.4213 k = 0.4923 0.2843 0.2291 ( 506 PWs) bands (ev): -2.4918 -2.4918 3.4130 3.4130 10.8864 10.8864 10.9278 10.9278 18.7712 18.7712 23.6598 23.6598 23.7642 23.7642 26.4153 26.4153 k = 0.4898 0.2828 0.2375 ( 510 PWs) bands (ev): -2.4866 -2.4866 3.4213 3.4213 10.8489 10.8489 10.9201 10.9201 18.8061 18.8061 23.6073 23.6073 23.7828 23.7828 26.4065 26.4065 k = 0.4872 0.2813 0.2458 ( 512 PWs) bands (ev): -2.4799 -2.4799 3.4320 3.4320 10.8010 10.8010 10.9106 10.9106 18.8503 18.8503 23.5414 23.5414 23.8077 23.8077 26.3946 26.3946 k = 0.4847 0.2798 0.2541 ( 515 PWs) bands (ev): -2.4717 -2.4717 3.4450 3.4450 10.7434 10.7434 10.8992 10.8992 18.9030 18.9030 23.4643 23.4643 23.8385 23.8385 26.3793 26.3793 k = 0.4821 0.2784 0.2624 ( 515 PWs) bands (ev): -2.4621 -2.4621 3.4604 3.4604 10.6765 10.6765 10.8859 10.8859 18.9638 18.9638 23.3780 23.3780 23.8749 23.8749 26.3608 26.3608 k = 0.4796 0.2769 0.2708 ( 519 PWs) bands (ev): -2.4510 -2.4510 3.4782 3.4782 10.6008 10.6008 10.8706 10.8706 19.0317 19.0317 23.2842 23.2842 23.9168 23.9168 26.3386 26.3386 k = 0.4770 0.2754 0.2791 ( 519 PWs) bands (ev): -2.4385 -2.4385 3.4983 3.4983 10.5169 10.5169 10.8536 10.8536 19.1060 19.1060 23.1850 23.1850 23.9640 23.9640 26.3127 26.3127 k = 0.4745 0.2739 0.2874 ( 517 PWs) bands (ev): -2.4245 -2.4245 3.5207 3.5207 10.4255 10.4255 10.8350 10.8350 19.1856 19.1856 23.0820 23.0820 24.0163 24.0163 26.2829 26.2829 k = 0.4719 0.2725 0.2958 ( 515 PWs) bands (ev): -2.4092 -2.4092 3.5455 3.5455 10.3271 10.3271 10.8146 10.8146 19.2696 19.2696 22.9770 22.9770 24.0738 24.0738 26.2493 26.2493 k = 0.4694 0.2710 0.3041 ( 517 PWs) bands (ev): -2.3925 -2.3925 3.5725 3.5725 10.2222 10.2222 10.7926 10.7926 19.3567 19.3567 22.8716 22.8716 24.1361 24.1361 26.2116 26.2116 k = 0.4668 0.2695 0.3124 ( 515 PWs) bands (ev): -2.3744 -2.3744 3.6019 3.6019 10.1115 10.1115 10.7691 10.7691 19.4457 19.4457 22.7675 22.7675 24.2031 24.2031 26.1703 26.1703 k = 0.4643 0.2681 0.3208 ( 515 PWs) bands (ev): -2.3550 -2.3550 3.6335 3.6335 9.9955 9.9955 10.7442 10.7442 19.5350 19.5350 22.6664 22.6664 24.2747 24.2747 26.1252 26.1252 k = 0.4617 0.2666 0.3291 ( 515 PWs) bands (ev): -2.3343 -2.3343 3.6673 3.6673 9.8748 9.8748 10.7180 10.7180 19.6230 19.6230 22.5701 22.5701 24.3506 24.3506 26.0764 26.0764 k = 0.4592 0.2651 0.3374 ( 517 PWs) bands (ev): -2.3124 -2.3124 3.7034 3.7034 9.7498 9.7498 10.6905 10.6905 19.7078 19.7078 22.4805 22.4805 24.4308 24.4308 26.0239 26.0239 k = 0.4566 0.2636 0.3458 ( 517 PWs) bands (ev): -2.2892 -2.2892 3.7417 3.7417 9.6212 9.6212 10.6618 10.6618 19.7873 19.7873 22.3998 22.3998 24.5150 24.5150 25.9680 25.9680 k = 0.4541 0.2622 0.3541 ( 521 PWs) bands (ev): -2.2649 -2.2649 3.7822 3.7822 9.4892 9.4892 10.6321 10.6321 19.8592 19.8592 22.3300 22.3300 24.6029 24.6029 25.9086 25.9086 k = 0.4515 0.2607 0.3624 ( 521 PWs) bands (ev): -2.2395 -2.2395 3.8249 3.8249 9.3545 9.3545 10.6015 10.6015 19.9211 19.9211 22.2736 22.2736 24.6943 24.6943 25.8463 25.8463 k = 0.4490 0.2592 0.3708 ( 521 PWs) bands (ev): -2.2129 -2.2129 3.8696 3.8696 9.2174 9.2174 10.5701 10.5701 19.9704 19.9704 22.2327 22.2327 24.7891 24.7891 25.7810 25.7810 k = 0.4464 0.2577 0.3791 ( 521 PWs) bands (ev): -2.1853 -2.1853 3.9165 3.9165 9.0784 9.0784 10.5379 10.5379 20.0052 20.0052 22.2092 22.2092 24.8870 24.8870 25.7130 25.7130 k = 0.4439 0.2563 0.3874 ( 521 PWs) bands (ev): -2.1567 -2.1567 3.9654 3.9654 8.9379 8.9379 10.5050 10.5050 20.0240 20.0240 22.2040 22.2040 24.9877 24.9877 25.6426 25.6426 k = 0.4413 0.2548 0.3958 ( 522 PWs) bands (ev): -2.1273 -2.1273 4.0164 4.0164 8.7961 8.7961 10.4716 10.4716 20.0262 20.0262 22.2173 22.2173 25.0909 25.0909 25.5702 25.5702 k = 0.4388 0.2533 0.4041 ( 518 PWs) bands (ev): -2.0969 -2.0969 4.0693 4.0693 8.6535 8.6535 10.4378 10.4378 20.0123 20.0123 22.2480 22.2480 25.1964 25.1964 25.4964 25.4964 k = 0.4362 0.2519 0.4124 ( 516 PWs) bands (ev): -2.0658 -2.0658 4.1242 4.1242 8.5105 8.5105 10.4036 10.4036 19.9838 19.9838 22.2942 22.2942 25.3039 25.3039 25.4214 25.4214 k = 0.4337 0.2504 0.4207 ( 518 PWs) bands (ev): -2.0339 -2.0339 4.1808 4.1808 8.3673 8.3673 10.3691 10.3691 19.9426 19.9426 22.3531 22.3531 25.3457 25.3457 25.4133 25.4133 k = 0.4311 0.2489 0.4291 ( 518 PWs) bands (ev): -2.0015 -2.0015 4.2393 4.2393 8.2243 8.2243 10.3345 10.3345 19.8909 19.8909 22.4216 22.4216 25.2708 25.2708 25.5238 25.5238 k = 0.4286 0.2474 0.4374 ( 518 PWs) bands (ev): -1.9685 -1.9685 4.2994 4.2994 8.0819 8.0819 10.2997 10.2997 19.8308 19.8308 22.4965 22.4965 25.1973 25.1973 25.6356 25.6356 k = 0.4260 0.2460 0.4457 ( 519 PWs) bands (ev): -1.9351 -1.9351 4.3612 4.3612 7.9404 7.9404 10.2650 10.2650 19.7643 19.7643 22.5743 22.5743 25.1265 25.1265 25.7481 25.7481 k = 0.4235 0.2445 0.4541 ( 517 PWs) bands (ev): -1.9013 -1.9013 4.4245 4.4245 7.8002 7.8002 10.2304 10.2304 19.6932 19.6932 22.6520 22.6520 25.0600 25.0600 25.8610 25.8610 k = 0.4209 0.2430 0.4624 ( 517 PWs) bands (ev): -1.8674 -1.8674 4.4891 4.4891 7.6615 7.6615 10.1959 10.1959 19.6189 19.6189 22.7256 22.7256 24.9996 24.9996 25.9741 25.9741 k = 0.4184 0.2415 0.4707 ( 517 PWs) bands (ev): -1.8333 -1.8333 4.5550 4.5550 7.5248 7.5248 10.1617 10.1617 19.5426 19.5426 22.7920 22.7920 24.9476 24.9476 26.0871 26.0871 k = 0.4158 0.2401 0.4791 ( 517 PWs) bands (ev): -1.7992 -1.7992 4.6219 4.6219 7.3905 7.3905 10.1279 10.1279 19.4652 19.4652 22.8479 22.8479 24.9061 24.9061 26.1995 26.1995 k = 0.4133 0.2386 0.4874 ( 515 PWs) bands (ev): -1.7654 -1.7654 4.6897 4.6897 7.2591 7.2591 10.0944 10.0944 19.3875 19.3875 22.8900 22.8900 24.8775 24.8775 26.3110 26.3110 k = 0.4107 0.2371 0.4957 ( 515 PWs) bands (ev): -1.7318 -1.7318 4.7579 4.7579 7.1311 7.1311 10.0614 10.0614 19.3102 19.3102 22.9155 22.9155 24.8635 24.8635 26.4214 26.4214 k = 0.4082 0.2357 0.5041 ( 515 PWs) bands (ev): -1.6987 -1.6987 4.8262 4.8262 7.0070 7.0070 10.0290 10.0290 19.2338 19.2338 22.9227 22.9227 24.8655 24.8655 26.5303 26.5303 k = 0.4056 0.2342 0.5124 ( 515 PWs) bands (ev): -1.6662 -1.6662 4.8942 4.8942 6.8878 6.8878 9.9971 9.9971 19.1587 19.1587 22.9109 22.9109 24.8834 24.8834 26.6374 26.6374 k = 0.4031 0.2327 0.5207 ( 515 PWs) bands (ev): -1.6346 -1.6346 4.9611 4.9611 6.7742 6.7742 9.9660 9.9660 19.0853 19.0853 22.8807 22.8807 24.9160 24.9160 26.7425 26.7425 k = 0.4005 0.2312 0.5291 ( 515 PWs) bands (ev): -1.6039 -1.6039 5.0261 5.0261 6.6673 6.6673 9.9355 9.9355 19.0138 19.0138 22.8336 22.8336 24.9615 24.9615 26.8451 26.8451 k = 0.3980 0.2298 0.5374 ( 515 PWs) bands (ev): -1.5745 -1.5745 5.0879 5.0879 6.5686 6.5686 9.9059 9.9059 18.9445 18.9445 22.7717 22.7717 25.0172 25.0172 26.9452 26.9452 k = 0.3954 0.2283 0.5457 ( 515 PWs) bands (ev): -1.5464 -1.5464 5.1449 5.1449 6.4800 6.4800 9.8771 9.8771 18.8777 18.8777 22.6973 22.6973 25.0803 25.0803 27.0425 27.0425 k = 0.3929 0.2268 0.5541 ( 515 PWs) bands (ev): -1.5200 -1.5200 5.1951 5.1951 6.4039 6.4039 9.8492 9.8492 18.8134 18.8134 22.6126 22.6126 25.1483 25.1483 27.1368 27.1368 k = 0.3903 0.2253 0.5624 ( 512 PWs) bands (ev): -1.4954 -1.4954 5.2357 5.2357 6.3429 6.3429 9.8223 9.8223 18.7518 18.7518 22.5196 22.5196 25.2189 25.2189 27.2280 27.2280 k = 0.3878 0.2239 0.5707 ( 512 PWs) bands (ev): -1.4729 -1.4729 5.2641 5.2641 6.3003 6.3003 9.7964 9.7964 18.6930 18.6930 22.4199 22.4199 25.2898 25.2898 27.3157 27.3157 k = 0.3852 0.2224 0.5790 ( 510 PWs) bands (ev): -1.4527 -1.4527 5.2780 5.2780 6.2784 6.2784 9.7714 9.7714 18.6372 18.6372 22.3151 22.3151 25.3596 25.3596 27.4000 27.4000 k = 0.3827 0.2209 0.5874 ( 510 PWs) bands (ev): -1.4351 -1.4351 5.2767 5.2767 6.2781 6.2781 9.7476 9.7476 18.5845 18.5845 22.2062 22.2062 25.4266 25.4266 27.4808 27.4808 k = 0.3801 0.2195 0.5957 ( 510 PWs) bands (ev): -1.4203 -1.4203 5.2615 5.2615 6.2985 6.2985 9.7249 9.7249 18.5349 18.5349 22.0942 22.0942 25.4897 25.4897 27.5581 27.5581 k = 0.3776 0.2180 0.6040 ( 512 PWs) bands (ev): -1.4084 -1.4084 5.2352 5.2352 6.3368 6.3368 9.7032 9.7032 18.4884 18.4884 21.9801 21.9801 25.5482 25.5482 27.6318 27.6318 k = 0.3750 0.2165 0.6124 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.6250-0.0722 0.4082 ( 512 PWs) bands (ev): -1.3999 -1.3999 5.2015 5.2015 6.3897 6.3897 9.6828 9.6828 18.4452 18.4452 21.8644 21.8644 25.6012 25.6012 27.7020 27.7020 k = 0.6207-0.0796 0.4082 ( 512 PWs) bands (ev): -1.3894 -1.3894 5.1413 5.1413 6.4916 6.4916 9.6499 9.6499 18.3760 18.3760 21.6656 21.6656 25.6854 25.6854 27.8185 27.8185 k = 0.6164-0.0871 0.4082 ( 508 PWs) bands (ev): -1.3809 -1.3809 5.0830 5.0830 6.5976 6.5976 9.6179 9.6179 18.3090 18.3090 21.4626 21.4626 25.7682 25.7682 27.9365 27.9365 k = 0.6121-0.0946 0.4082 ( 508 PWs) bands (ev): -1.3742 -1.3742 5.0268 5.0268 6.7075 6.7075 9.5868 9.5868 18.2441 18.2441 21.2563 21.2563 25.8493 25.8493 28.0557 28.0557 k = 0.6078-0.1020 0.4082 ( 508 PWs) bands (ev): -1.3693 -1.3693 4.9726 4.9726 6.8207 6.8207 9.5568 9.5568 18.1815 18.1815 21.0477 21.0477 25.9288 25.9288 28.1759 28.1759 k = 0.6034-0.1095 0.4082 ( 510 PWs) bands (ev): -1.3659 -1.3659 4.9204 4.9204 6.9369 6.9369 9.5277 9.5277 18.1211 18.1211 20.8374 20.8374 26.0064 26.0064 28.2970 28.2970 k = 0.5991-0.1170 0.4082 ( 510 PWs) bands (ev): -1.3639 -1.3639 4.8702 4.8702 7.0558 7.0558 9.4996 9.4996 18.0630 18.0630 20.6264 20.6264 26.0820 26.0820 28.4188 28.4188 k = 0.5948-0.1244 0.4082 ( 510 PWs) bands (ev): -1.3631 -1.3631 4.8222 4.8222 7.1769 7.1769 9.4726 9.4726 18.0071 18.0071 20.4156 20.4156 26.1555 26.1555 28.5411 28.5411 k = 0.5905-0.1319 0.4082 ( 508 PWs) bands (ev): -1.3634 -1.3634 4.7761 4.7761 7.2998 7.2998 9.4467 9.4467 17.9536 17.9536 20.2056 20.2056 26.2269 26.2269 28.6635 28.6635 k = 0.5862-0.1394 0.4082 ( 500 PWs) bands (ev): -1.3646 -1.3646 4.7322 4.7322 7.4242 7.4242 9.4219 9.4219 17.9024 17.9024 19.9971 19.9971 26.2961 26.2961 28.7861 28.7861 k = 0.5819-0.1468 0.4082 ( 500 PWs) bands (ev): -1.3666 -1.3666 4.6904 4.6904 7.5491 7.5491 9.3982 9.3982 17.8536 17.8536 19.7910 19.7910 26.3626 26.3626 28.9080 28.9080 k = 0.5776-0.1543 0.4082 ( 500 PWs) bands (ev): -1.3693 -1.3693 4.6506 4.6506 7.6744 7.6744 9.3756 9.3756 17.8071 17.8071 19.5879 19.5879 26.4265 26.4265 29.0293 29.0293 k = 0.5733-0.1618 0.4082 ( 500 PWs) bands (ev): -1.3725 -1.3725 4.6130 4.6130 7.7993 7.7993 9.3541 9.3541 17.7631 17.7631 19.3887 19.3887 26.4877 26.4877 29.1494 29.1494 k = 0.5690-0.1692 0.4082 ( 500 PWs) bands (ev): -1.3761 -1.3761 4.5774 4.5774 7.9234 7.9234 9.3337 9.3337 17.7214 17.7214 19.1940 19.1940 26.5461 26.5461 29.2681 29.2681 k = 0.5647-0.1767 0.4082 ( 500 PWs) bands (ev): -1.3800 -1.3800 4.5440 4.5440 8.0460 8.0460 9.3145 9.3145 17.6822 17.6822 19.0046 19.0046 26.6015 26.6015 29.3847 29.3847 k = 0.5603-0.1842 0.4082 ( 500 PWs) bands (ev): -1.3842 -1.3842 4.5127 4.5127 8.1663 8.1663 9.2965 9.2965 17.6454 17.6454 18.8214 18.8214 26.6539 26.6539 29.4989 29.4989 k = 0.5560-0.1916 0.4082 ( 500 PWs) bands (ev): -1.3884 -1.3884 4.4836 4.4836 8.2838 8.2838 9.2797 9.2797 17.6110 17.6110 18.6451 18.6451 26.7032 26.7032 29.6101 29.6101 k = 0.5517-0.1991 0.4082 ( 504 PWs) bands (ev): -1.3927 -1.3927 4.4565 4.4565 8.3976 8.3976 9.2641 9.2641 17.5790 17.5790 18.4766 18.4766 26.7490 26.7490 29.7175 29.7175 k = 0.5474-0.2066 0.4082 ( 504 PWs) bands (ev): -1.3969 -1.3969 4.4316 4.4316 8.5069 8.5069 9.2497 9.2497 17.5495 17.5495 18.3169 18.3169 26.7917 26.7917 29.8208 29.8208 k = 0.5431-0.2140 0.4082 ( 504 PWs) bands (ev): -1.4010 -1.4010 4.4089 4.4089 8.6109 8.6109 9.2365 9.2365 17.5224 17.5224 18.1667 18.1667 26.8310 26.8310 29.9189 29.9189 k = 0.5388-0.2215 0.4082 ( 504 PWs) bands (ev): -1.4049 -1.4049 4.3883 4.3883 8.7088 8.7088 9.2246 9.2246 17.4977 17.4977 18.0272 18.0272 26.8667 26.8667 30.0113 30.0113 k = 0.5345-0.2289 0.4082 ( 504 PWs) bands (ev): -1.4086 -1.4086 4.3699 4.3699 8.7995 8.7995 9.2139 9.2139 17.4753 17.4753 17.8993 17.8993 26.8990 26.8990 30.0971 30.0971 k = 0.5302-0.2364 0.4082 ( 508 PWs) bands (ev): -1.4119 -1.4119 4.3536 4.3536 8.8822 8.8822 9.2045 9.2045 17.4551 17.4551 17.7839 17.7839 26.9275 26.9275 30.1753 30.1753 k = 0.5259-0.2439 0.4082 ( 508 PWs) bands (ev): -1.4149 -1.4149 4.3395 4.3395 8.9561 8.9561 9.1964 9.1964 17.4369 17.4369 17.6825 17.6825 26.9524 26.9524 30.2450 30.2450 k = 0.5216-0.2513 0.4082 ( 508 PWs) bands (ev): -1.4175 -1.4175 4.3276 4.3276 9.0203 9.0203 9.1896 9.1896 17.4201 17.4201 17.5962 17.5962 26.9735 26.9735 30.3051 30.3051 k = 0.5172-0.2588 0.4082 ( 516 PWs) bands (ev): -1.4197 -1.4197 4.3178 4.3178 9.0739 9.0739 9.1840 9.1840 17.4038 17.4038 17.5269 17.5269 26.9907 26.9907 30.3543 30.3543 k = 0.5129-0.2663 0.4082 ( 516 PWs) bands (ev): -1.4214 -1.4214 4.3102 4.3102 9.1160 9.1160 9.1801 9.1801 17.3866 17.3866 17.4768 17.4768 27.0042 27.0042 30.3919 30.3919 k = 0.5086-0.2737 0.4082 ( 520 PWs) bands (ev): -1.4226 -1.4226 4.3047 4.3047 9.1455 9.1455 9.1783 9.1783 17.3683 17.3683 17.4465 17.4465 27.0137 27.0137 30.4169 30.4169 k = 0.5043-0.2812 0.4082 ( 524 PWs) bands (ev): -1.4234 -1.4234 4.3014 4.3014 9.1606 9.1606 9.1799 9.1799 17.3536 17.3536 17.4319 17.4319 27.0195 27.0195 30.4302 30.4302 k = 0.5000-0.2887 0.4082 ( 524 PWs) bands (ev): -1.4236 -1.4236 4.3003 4.3003 9.1641 9.1641 9.1821 9.1821 17.3480 17.3480 17.4277 17.4277 27.0214 27.0214 30.4344 30.4344 Writing output data file AlN.save init_run : 0.08s CPU 0.20s WALL ( 1 calls) electrons : 19.26s CPU 20.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 19.26s CPU 20.09s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 526 calls) cegterg : 17.44s CPU 17.94s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 8.07s CPU 8.33s WALL ( 5801 calls) s_psi : 0.34s CPU 0.33s WALL ( 5801 calls) g_psi : 0.02s CPU 0.01s WALL ( 4736 calls) cdiaghg : 8.82s CPU 9.24s WALL ( 5262 calls) cegterg:over : 0.53s CPU 0.53s WALL ( 4736 calls) cegterg:upda : 0.33s CPU 0.37s WALL ( 4736 calls) cegterg:last : 0.22s CPU 0.20s WALL ( 1201 calls) cdiaghg:chol : 0.56s CPU 0.54s WALL ( 5262 calls) cdiaghg:inve : 0.10s CPU 0.12s WALL ( 5262 calls) cdiaghg:para : 0.69s CPU 0.67s WALL ( 10524 calls) Called by h_psi: h_psi:vloc : 7.24s CPU 7.48s WALL ( 5801 calls) h_psi:vnl : 0.81s CPU 0.84s WALL ( 5801 calls) add_vuspsi : 0.43s CPU 0.43s WALL ( 5801 calls) General routines calbec : 0.37s CPU 0.39s WALL ( 5801 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 6.88s CPU 7.08s WALL ( 263868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.08s WALL ( 1052 calls) Parallel routines fft_scatter : 4.13s CPU 4.44s WALL ( 263891 calls) PWSCF : 25.21s CPU 40.15s WALL This run was terminated on: 19:31:36 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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