Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 1: 2 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: ./CuCl.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 15 4 343 235 38 Max 20 16 5 346 245 43 Sum 703 559 163 12387 8609 1459 bravais-lattice index = 14 lattice parameter (alat) = 6.5863 a.u. unit-cell volume = 202.0287 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.586317 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Cu 11.00 63.54600 Cu( 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= 425 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0078125 -0.0045105 0.0063789), wk = 0.0023529 k( 3) = ( 0.0156250 -0.0090211 0.0127578), wk = 0.0023529 k( 4) = ( 0.0234375 -0.0135316 0.0191366), wk = 0.0023529 k( 5) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0023529 k( 6) = ( 0.0390625 -0.0225527 0.0318944), wk = 0.0023529 k( 7) = ( 0.0468750 -0.0270633 0.0382733), wk = 0.0023529 k( 8) = ( 0.0546875 -0.0315738 0.0446522), wk = 0.0023529 k( 9) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0023529 k( 10) = ( 0.0703125 -0.0405949 0.0574099), wk = 0.0023529 k( 11) = ( 0.0781250 -0.0451055 0.0637888), wk = 0.0023529 k( 12) = ( 0.0859375 -0.0496160 0.0701677), wk = 0.0023529 k( 13) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0023529 k( 14) = ( 0.1015625 -0.0586371 0.0829254), wk = 0.0023529 k( 15) = ( 0.1093750 -0.0631477 0.0893043), wk = 0.0023529 k( 16) = ( 0.1171875 -0.0676582 0.0956832), wk = 0.0023529 k( 17) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0023529 k( 18) = ( 0.1328125 -0.0766793 0.1084410), wk = 0.0023529 k( 19) = ( 0.1406250 -0.0811899 0.1148198), wk = 0.0023529 k( 20) = ( 0.1484375 -0.0857004 0.1211987), wk = 0.0023529 k( 21) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0023529 k( 22) = ( 0.1640625 -0.0947215 0.1339565), wk = 0.0023529 k( 23) = ( 0.1718750 -0.0992321 0.1403353), wk = 0.0023529 k( 24) = ( 0.1796875 -0.1037426 0.1467142), wk = 0.0023529 k( 25) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0023529 k( 26) = ( 0.1953125 -0.1127637 0.1594720), wk = 0.0023529 k( 27) = ( 0.2031250 -0.1172743 0.1658509), wk = 0.0023529 k( 28) = ( 0.2109375 -0.1217848 0.1722297), wk = 0.0023529 k( 29) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0023529 k( 30) = ( 0.2265625 -0.1308059 0.1849875), wk = 0.0023529 k( 31) = ( 0.2343750 -0.1353165 0.1913664), wk = 0.0023529 k( 32) = ( 0.2421875 -0.1398270 0.1977453), wk = 0.0023529 k( 33) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0023529 k( 34) = ( 0.2578125 -0.1488481 0.2105030), wk = 0.0023529 k( 35) = ( 0.2656250 -0.1533587 0.2168819), wk = 0.0023529 k( 36) = ( 0.2734375 -0.1578692 0.2232608), wk = 0.0023529 k( 37) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0023529 k( 38) = ( 0.2890625 -0.1668903 0.2360185), wk = 0.0023529 k( 39) = ( 0.2968750 -0.1714009 0.2423974), wk = 0.0023529 k( 40) = ( 0.3046875 -0.1759114 0.2487763), wk = 0.0023529 k( 41) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0023529 k( 42) = ( 0.3203125 -0.1849325 0.2615341), wk = 0.0023529 k( 43) = ( 0.3281250 -0.1894431 0.2679129), wk = 0.0023529 k( 44) = ( 0.3359375 -0.1939536 0.2742918), wk = 0.0023529 k( 45) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0023529 k( 46) = ( 0.3515625 -0.2029747 0.2870496), wk = 0.0023529 k( 47) = ( 0.3593750 -0.2074853 0.2934285), wk = 0.0023529 k( 48) = ( 0.3671875 -0.2119958 0.2998073), wk = 0.0023529 k( 49) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0023529 k( 50) = ( 0.3828125 -0.2210169 0.3125651), wk = 0.0023529 k( 51) = ( 0.3906250 -0.2255274 0.3189440), wk = 0.0023529 k( 52) = ( 0.3984375 -0.2300380 0.3253229), wk = 0.0023529 k( 53) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0023529 k( 54) = ( 0.4140625 -0.2390591 0.3380806), wk = 0.0023529 k( 55) = ( 0.4218750 -0.2435696 0.3444595), wk = 0.0023529 k( 56) = ( 0.4296875 -0.2480802 0.3508384), wk = 0.0023529 k( 57) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0023529 k( 58) = ( 0.4453125 -0.2571013 0.3635961), wk = 0.0023529 k( 59) = ( 0.4531250 -0.2616118 0.3699750), wk = 0.0023529 k( 60) = ( 0.4609375 -0.2661224 0.3763539), wk = 0.0023529 k( 61) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0023529 k( 62) = ( 0.4765625 -0.2751435 0.3891117), wk = 0.0023529 k( 63) = ( 0.4843750 -0.2796540 0.3954905), wk = 0.0023529 k( 64) = ( 0.4921875 -0.2841646 0.4018694), wk = 0.0023529 k( 65) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023529 k( 66) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023529 k( 67) = ( 0.5000000 -0.2796540 0.4146272), wk = 0.0023529 k( 68) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0023529 k( 69) = ( 0.5000000 -0.2616118 0.4273849), wk = 0.0023529 k( 70) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0023529 k( 71) = ( 0.5000000 -0.2435696 0.4401427), wk = 0.0023529 k( 72) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0023529 k( 73) = ( 0.5000000 -0.2255274 0.4529004), wk = 0.0023529 k( 74) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0023529 k( 75) = ( 0.5000000 -0.2074853 0.4656582), wk = 0.0023529 k( 76) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0023529 k( 77) = ( 0.5000000 -0.1894431 0.4784160), wk = 0.0023529 k( 78) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0023529 k( 79) = ( 0.5000000 -0.1714009 0.4911737), wk = 0.0023529 k( 80) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0023529 k( 81) = ( 0.5000000 -0.1533587 0.5039315), wk = 0.0023529 k( 82) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0023529 k( 83) = ( 0.5000000 -0.1353165 0.5166892), wk = 0.0023529 k( 84) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0023529 k( 85) = ( 0.5000000 -0.1172743 0.5294470), wk = 0.0023529 k( 86) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0023529 k( 87) = ( 0.5000000 -0.0992321 0.5422048), wk = 0.0023529 k( 88) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0023529 k( 89) = ( 0.5000000 -0.0811899 0.5549625), wk = 0.0023529 k( 90) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0023529 k( 91) = ( 0.5000000 -0.0631477 0.5677203), wk = 0.0023529 k( 92) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0023529 k( 93) = ( 0.5000000 -0.0451055 0.5804780), wk = 0.0023529 k( 94) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0023529 k( 95) = ( 0.5000000 -0.0270633 0.5932358), wk = 0.0023529 k( 96) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0023529 k( 97) = ( 0.5000000 -0.0090211 0.6059936), wk = 0.0023529 k( 98) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023529 k( 99) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023529 k( 100) = ( 0.4945652 0.0094133 0.6123724), wk = 0.0023529 k( 101) = ( 0.4891304 0.0188266 0.6123724), wk = 0.0023529 k( 102) = ( 0.4836956 0.0282400 0.6123724), wk = 0.0023529 k( 103) = ( 0.4782609 0.0376533 0.6123724), wk = 0.0023529 k( 104) = ( 0.4728261 0.0470666 0.6123724), wk = 0.0023529 k( 105) = ( 0.4673913 0.0564799 0.6123724), wk = 0.0023529 k( 106) = ( 0.4619565 0.0658932 0.6123724), wk = 0.0023529 k( 107) = ( 0.4565217 0.0753066 0.6123724), wk = 0.0023529 k( 108) = ( 0.4510870 0.0847199 0.6123724), wk = 0.0023529 k( 109) = ( 0.4456522 0.0941332 0.6123724), wk = 0.0023529 k( 110) = ( 0.4402174 0.1035465 0.6123724), wk = 0.0023529 k( 111) = ( 0.4347826 0.1129598 0.6123724), wk = 0.0023529 k( 112) = ( 0.4293478 0.1223731 0.6123724), wk = 0.0023529 k( 113) = ( 0.4239130 0.1317865 0.6123724), wk = 0.0023529 k( 114) = ( 0.4184783 0.1411998 0.6123724), wk = 0.0023529 k( 115) = ( 0.4130435 0.1506131 0.6123724), wk = 0.0023529 k( 116) = ( 0.4076087 0.1600264 0.6123724), wk = 0.0023529 k( 117) = ( 0.4021739 0.1694398 0.6123724), wk = 0.0023529 k( 118) = ( 0.3967391 0.1788531 0.6123724), wk = 0.0023529 k( 119) = ( 0.3913044 0.1882664 0.6123724), wk = 0.0023529 k( 120) = ( 0.3858696 0.1976797 0.6123724), wk = 0.0023529 k( 121) = ( 0.3804348 0.2070930 0.6123724), wk = 0.0023529 k( 122) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023529 k( 123) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023529 k( 124) = ( 0.3694853 0.2133224 0.6033670), wk = 0.0023529 k( 125) = ( 0.3639706 0.2101385 0.5943615), wk = 0.0023529 k( 126) = ( 0.3584559 0.2069546 0.5853560), wk = 0.0023529 k( 127) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0023529 k( 128) = ( 0.3474265 0.2005868 0.5673450), wk = 0.0023529 k( 129) = ( 0.3419118 0.1974028 0.5583396), wk = 0.0023529 k( 130) = ( 0.3363971 0.1942189 0.5493341), wk = 0.0023529 k( 131) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0023529 k( 132) = ( 0.3253677 0.1878511 0.5313231), wk = 0.0023529 k( 133) = ( 0.3198529 0.1846672 0.5223177), wk = 0.0023529 k( 134) = ( 0.3143382 0.1814833 0.5133122), wk = 0.0023529 k( 135) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0023529 k( 136) = ( 0.3033088 0.1751154 0.4953012), wk = 0.0023529 k( 137) = ( 0.2977941 0.1719315 0.4862958), wk = 0.0023529 k( 138) = ( 0.2922794 0.1687476 0.4772903), wk = 0.0023529 k( 139) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0023529 k( 140) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0023529 k( 141) = ( 0.2757353 0.1591958 0.4502739), wk = 0.0023529 k( 142) = ( 0.2702206 0.1560119 0.4412684), wk = 0.0023529 k( 143) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0023529 k( 144) = ( 0.2591912 0.1496441 0.4232574), wk = 0.0023529 k( 145) = ( 0.2536765 0.1464602 0.4142519), wk = 0.0023529 k( 146) = ( 0.2481618 0.1432763 0.4052465), wk = 0.0023529 k( 147) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0023529 k( 148) = ( 0.2371323 0.1369084 0.3872355), wk = 0.0023529 k( 149) = ( 0.2316177 0.1337245 0.3782300), wk = 0.0023529 k( 150) = ( 0.2261029 0.1305406 0.3692246), wk = 0.0023529 k( 151) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0023529 k( 152) = ( 0.2150735 0.1241728 0.3512136), wk = 0.0023529 k( 153) = ( 0.2095588 0.1209888 0.3422081), wk = 0.0023529 k( 154) = ( 0.2040441 0.1178049 0.3332027), wk = 0.0023529 k( 155) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0023529 k( 156) = ( 0.1930147 0.1114371 0.3151917), wk = 0.0023529 k( 157) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0023529 k( 158) = ( 0.1819853 0.1050693 0.2971807), wk = 0.0023529 k( 159) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0023529 k( 160) = ( 0.1709559 0.0987014 0.2791698), wk = 0.0023529 k( 161) = ( 0.1654412 0.0955175 0.2701643), wk = 0.0023529 k( 162) = ( 0.1599265 0.0923336 0.2611588), wk = 0.0023529 k( 163) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0023529 k( 164) = ( 0.1488971 0.0859658 0.2431479), wk = 0.0023529 k( 165) = ( 0.1433823 0.0827818 0.2341424), wk = 0.0023529 k( 166) = ( 0.1378677 0.0795979 0.2251369), wk = 0.0023529 k( 167) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0023529 k( 168) = ( 0.1268382 0.0732301 0.2071260), wk = 0.0023529 k( 169) = ( 0.1213235 0.0700462 0.1981205), wk = 0.0023529 k( 170) = ( 0.1158088 0.0668623 0.1891150), wk = 0.0023529 k( 171) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0023529 k( 172) = ( 0.1047794 0.0604944 0.1711041), wk = 0.0023529 k( 173) = ( 0.0992647 0.0573105 0.1620986), wk = 0.0023529 k( 174) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0023529 k( 175) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0023529 k( 176) = ( 0.0827206 0.0477588 0.1350822), wk = 0.0023529 k( 177) = ( 0.0772059 0.0445748 0.1260767), wk = 0.0023529 k( 178) = ( 0.0716912 0.0413909 0.1170712), wk = 0.0023529 k( 179) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0023529 k( 180) = ( 0.0606618 0.0350231 0.0990603), wk = 0.0023529 k( 181) = ( 0.0551471 0.0318392 0.0900548), wk = 0.0023529 k( 182) = ( 0.0496323 0.0286553 0.0810493), wk = 0.0023529 k( 183) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0023529 k( 184) = ( 0.0386029 0.0222874 0.0630383), wk = 0.0023529 k( 185) = ( 0.0330882 0.0191035 0.0540329), wk = 0.0023529 k( 186) = ( 0.0275735 0.0159196 0.0450274), wk = 0.0023529 k( 187) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0023529 k( 188) = ( 0.0165441 0.0095518 0.0270164), wk = 0.0023529 k( 189) = ( 0.0110294 0.0063678 0.0180110), wk = 0.0023529 k( 190) = ( 0.0055147 0.0031839 0.0090055), wk = 0.0023529 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 193) = ( 0.0089286 0.0051549 0.0036451), wk = 0.0023529 k( 194) = ( 0.0178571 0.0103098 0.0072901), wk = 0.0023529 k( 195) = ( 0.0267857 0.0154647 0.0109352), wk = 0.0023529 k( 196) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0023529 k( 197) = ( 0.0446429 0.0257746 0.0182254), wk = 0.0023529 k( 198) = ( 0.0535714 0.0309295 0.0218704), wk = 0.0023529 k( 199) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0023529 k( 200) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0023529 k( 201) = ( 0.0803571 0.0463942 0.0328057), wk = 0.0023529 k( 202) = ( 0.0892857 0.0515491 0.0364507), wk = 0.0023529 k( 203) = ( 0.0982143 0.0567040 0.0400958), wk = 0.0023529 k( 204) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0023529 k( 205) = ( 0.1160714 0.0670139 0.0473860), wk = 0.0023529 k( 206) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0023529 k( 207) = ( 0.1339286 0.0773237 0.0546761), wk = 0.0023529 k( 208) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0023529 k( 209) = ( 0.1517857 0.0876335 0.0619663), wk = 0.0023529 k( 210) = ( 0.1607143 0.0927884 0.0656113), wk = 0.0023529 k( 211) = ( 0.1696429 0.0979434 0.0692564), wk = 0.0023529 k( 212) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0023529 k( 213) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0023529 k( 214) = ( 0.1964286 0.1134081 0.0801916), wk = 0.0023529 k( 215) = ( 0.2053571 0.1185630 0.0838367), wk = 0.0023529 k( 216) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0023529 k( 217) = ( 0.2232143 0.1288728 0.0911269), wk = 0.0023529 k( 218) = ( 0.2321429 0.1340277 0.0947719), wk = 0.0023529 k( 219) = ( 0.2410714 0.1391827 0.0984170), wk = 0.0023529 k( 220) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0023529 k( 221) = ( 0.2589286 0.1494925 0.1057071), wk = 0.0023529 k( 222) = ( 0.2678571 0.1546474 0.1093522), wk = 0.0023529 k( 223) = ( 0.2767857 0.1598023 0.1129973), wk = 0.0023529 k( 224) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0023529 k( 225) = ( 0.2946429 0.1701121 0.1202874), wk = 0.0023529 k( 226) = ( 0.3035714 0.1752670 0.1239325), wk = 0.0023529 k( 227) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0023529 k( 228) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0023529 k( 229) = ( 0.3303571 0.1907318 0.1348677), wk = 0.0023529 k( 230) = ( 0.3392857 0.1958867 0.1385128), wk = 0.0023529 k( 231) = ( 0.3482143 0.2010416 0.1421579), wk = 0.0023529 k( 232) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0023529 k( 233) = ( 0.3660714 0.2113514 0.1494480), wk = 0.0023529 k( 234) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0023529 k( 235) = ( 0.3839286 0.2216613 0.1567382), wk = 0.0023529 k( 236) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0023529 k( 237) = ( 0.4017857 0.2319711 0.1640283), wk = 0.0023529 k( 238) = ( 0.4107143 0.2371260 0.1676734), wk = 0.0023529 k( 239) = ( 0.4196429 0.2422809 0.1713185), wk = 0.0023529 k( 240) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0023529 k( 241) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0023529 k( 242) = ( 0.4464286 0.2577457 0.1822537), wk = 0.0023529 k( 243) = ( 0.4553571 0.2629006 0.1858988), wk = 0.0023529 k( 244) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0023529 k( 245) = ( 0.4732143 0.2732104 0.1931889), wk = 0.0023529 k( 246) = ( 0.4821429 0.2783653 0.1968340), wk = 0.0023529 k( 247) = ( 0.4910714 0.2835202 0.2004791), wk = 0.0023529 k( 248) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023529 k( 249) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023529 k( 250) = ( 0.5031250 0.2796540 0.2092272), wk = 0.0023529 k( 251) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0023529 k( 252) = ( 0.5093750 0.2616118 0.2194335), wk = 0.0023529 k( 253) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0023529 k( 254) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0023529 k( 255) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0023529 k( 256) = ( 0.5218750 0.2255274 0.2398459), wk = 0.0023529 k( 257) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0023529 k( 258) = ( 0.5281250 0.2074853 0.2500521), wk = 0.0023529 k( 259) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0023529 k( 260) = ( 0.5343750 0.1894431 0.2602583), wk = 0.0023529 k( 261) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0023529 k( 262) = ( 0.5406250 0.1714009 0.2704645), wk = 0.0023529 k( 263) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0023529 k( 264) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0023529 k( 265) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0023529 k( 266) = ( 0.5531250 0.1353165 0.2908769), wk = 0.0023529 k( 267) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0023529 k( 268) = ( 0.5593750 0.1172743 0.3010831), wk = 0.0023529 k( 269) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0023529 k( 270) = ( 0.5656250 0.0992321 0.3112893), wk = 0.0023529 k( 271) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0023529 k( 272) = ( 0.5718750 0.0811899 0.3214955), wk = 0.0023529 k( 273) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0023529 k( 274) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0023529 k( 275) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0023529 k( 276) = ( 0.5843750 0.0451055 0.3419079), wk = 0.0023529 k( 277) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0023529 k( 278) = ( 0.5906250 0.0270633 0.3521142), wk = 0.0023529 k( 279) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0023529 k( 280) = ( 0.5968750 0.0090211 0.3623204), wk = 0.0023529 k( 281) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0023529 k( 282) = ( 0.6031250 -0.0090211 0.3725266), wk = 0.0023529 k( 283) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0023529 k( 284) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0023529 k( 285) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0023529 k( 286) = ( 0.6156250 -0.0451055 0.3929390), wk = 0.0023529 k( 287) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0023529 k( 288) = ( 0.6218750 -0.0631477 0.4031452), wk = 0.0023529 k( 289) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023529 k( 290) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023529 k( 291) = ( 0.6195652 -0.0690310 0.4171232), wk = 0.0023529 k( 292) = ( 0.6141304 -0.0658932 0.4259982), wk = 0.0023529 k( 293) = ( 0.6086957 -0.0627555 0.4348732), wk = 0.0023529 k( 294) = ( 0.6032609 -0.0596177 0.4437481), wk = 0.0023529 k( 295) = ( 0.5978261 -0.0564799 0.4526231), wk = 0.0023529 k( 296) = ( 0.5923913 -0.0533421 0.4614981), wk = 0.0023529 k( 297) = ( 0.5869565 -0.0502044 0.4703730), wk = 0.0023529 k( 298) = ( 0.5815217 -0.0470666 0.4792480), wk = 0.0023529 k( 299) = ( 0.5760870 -0.0439288 0.4881230), wk = 0.0023529 k( 300) = ( 0.5706522 -0.0407910 0.4969979), wk = 0.0023529 k( 301) = ( 0.5652174 -0.0376533 0.5058729), wk = 0.0023529 k( 302) = ( 0.5597826 -0.0345155 0.5147478), wk = 0.0023529 k( 303) = ( 0.5543478 -0.0313777 0.5236228), wk = 0.0023529 k( 304) = ( 0.5489130 -0.0282400 0.5324978), wk = 0.0023529 k( 305) = ( 0.5434783 -0.0251022 0.5413727), wk = 0.0023529 k( 306) = ( 0.5380435 -0.0219644 0.5502477), wk = 0.0023529 k( 307) = ( 0.5326087 -0.0188266 0.5591227), wk = 0.0023529 k( 308) = ( 0.5271739 -0.0156889 0.5679976), wk = 0.0023529 k( 309) = ( 0.5217391 -0.0125511 0.5768726), wk = 0.0023529 k( 310) = ( 0.5163043 -0.0094133 0.5857475), wk = 0.0023529 k( 311) = ( 0.5108696 -0.0062755 0.5946225), wk = 0.0023529 k( 312) = ( 0.5054348 -0.0031378 0.6034975), wk = 0.0023529 k( 313) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023529 k( 314) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023529 k( 315) = ( 0.5000000 0.0062755 0.6034975), wk = 0.0023529 k( 316) = ( 0.5000000 0.0125511 0.5946225), wk = 0.0023529 k( 317) = ( 0.5000000 0.0188266 0.5857475), wk = 0.0023529 k( 318) = ( 0.5000000 0.0251022 0.5768726), wk = 0.0023529 k( 319) = ( 0.5000000 0.0313777 0.5679976), wk = 0.0023529 k( 320) = ( 0.5000000 0.0376533 0.5591227), wk = 0.0023529 k( 321) = ( 0.5000000 0.0439288 0.5502477), wk = 0.0023529 k( 322) = ( 0.5000000 0.0502044 0.5413727), wk = 0.0023529 k( 323) = ( 0.5000000 0.0564799 0.5324978), wk = 0.0023529 k( 324) = ( 0.5000000 0.0627555 0.5236228), wk = 0.0023529 k( 325) = ( 0.5000000 0.0690310 0.5147478), wk = 0.0023529 k( 326) = ( 0.5000000 0.0753066 0.5058729), wk = 0.0023529 k( 327) = ( 0.5000000 0.0815821 0.4969979), wk = 0.0023529 k( 328) = ( 0.5000000 0.0878577 0.4881230), wk = 0.0023529 k( 329) = ( 0.5000000 0.0941332 0.4792480), wk = 0.0023529 k( 330) = ( 0.5000000 0.1004087 0.4703730), wk = 0.0023529 k( 331) = ( 0.5000000 0.1066843 0.4614981), wk = 0.0023529 k( 332) = ( 0.5000000 0.1129598 0.4526231), wk = 0.0023529 k( 333) = ( 0.5000000 0.1192354 0.4437481), wk = 0.0023529 k( 334) = ( 0.5000000 0.1255109 0.4348732), wk = 0.0023529 k( 335) = ( 0.5000000 0.1317865 0.4259982), wk = 0.0023529 k( 336) = ( 0.5000000 0.1380620 0.4171232), wk = 0.0023529 k( 337) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0023529 k( 338) = ( 0.5000000 0.1506131 0.3993733), wk = 0.0023529 k( 339) = ( 0.5000000 0.1568887 0.3904984), wk = 0.0023529 k( 340) = ( 0.5000000 0.1631642 0.3816234), wk = 0.0023529 k( 341) = ( 0.5000000 0.1694398 0.3727484), wk = 0.0023529 k( 342) = ( 0.5000000 0.1757153 0.3638735), wk = 0.0023529 k( 343) = ( 0.5000000 0.1819909 0.3549985), wk = 0.0023529 k( 344) = ( 0.5000000 0.1882664 0.3461235), wk = 0.0023529 k( 345) = ( 0.5000000 0.1945419 0.3372486), wk = 0.0023529 k( 346) = ( 0.5000000 0.2008175 0.3283736), wk = 0.0023529 k( 347) = ( 0.5000000 0.2070930 0.3194987), wk = 0.0023529 k( 348) = ( 0.5000000 0.2133686 0.3106237), wk = 0.0023529 k( 349) = ( 0.5000000 0.2196441 0.3017487), wk = 0.0023529 k( 350) = ( 0.5000000 0.2259197 0.2928738), wk = 0.0023529 k( 351) = ( 0.5000000 0.2321952 0.2839988), wk = 0.0023529 k( 352) = ( 0.5000000 0.2384708 0.2751238), wk = 0.0023529 k( 353) = ( 0.5000000 0.2447463 0.2662489), wk = 0.0023529 k( 354) = ( 0.5000000 0.2510219 0.2573739), wk = 0.0023529 k( 355) = ( 0.5000000 0.2572974 0.2484990), wk = 0.0023529 k( 356) = ( 0.5000000 0.2635729 0.2396240), wk = 0.0023529 k( 357) = ( 0.5000000 0.2698485 0.2307490), wk = 0.0023529 k( 358) = ( 0.5000000 0.2761240 0.2218741), wk = 0.0023529 k( 359) = ( 0.5000000 0.2823996 0.2129991), wk = 0.0023529 k( 360) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023529 k( 361) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023529 k( 362) = ( 0.4968750 0.2868709 0.2143304), wk = 0.0023529 k( 363) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0023529 k( 364) = ( 0.4906250 0.2832625 0.2347428), wk = 0.0023529 k( 365) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0023529 k( 366) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0023529 k( 367) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0023529 k( 368) = ( 0.4781250 0.2760456 0.2755676), wk = 0.0023529 k( 369) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0023529 k( 370) = ( 0.4718750 0.2724372 0.2959800), wk = 0.0023529 k( 371) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0023529 k( 372) = ( 0.4656250 0.2688287 0.3163924), wk = 0.0023529 k( 373) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0023529 k( 374) = ( 0.4593750 0.2652203 0.3368048), wk = 0.0023529 k( 375) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0023529 k( 376) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0023529 k( 377) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0023529 k( 378) = ( 0.4468750 0.2580034 0.3776297), wk = 0.0023529 k( 379) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0023529 k( 380) = ( 0.4406250 0.2543950 0.3980421), wk = 0.0023529 k( 381) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0023529 k( 382) = ( 0.4343750 0.2507865 0.4184545), wk = 0.0023529 k( 383) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0023529 k( 384) = ( 0.4281250 0.2471781 0.4388669), wk = 0.0023529 k( 385) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0023529 k( 386) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0023529 k( 387) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0023529 k( 388) = ( 0.4156250 0.2399612 0.4796917), wk = 0.0023529 k( 389) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0023529 k( 390) = ( 0.4093750 0.2363528 0.5001042), wk = 0.0023529 k( 391) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0023529 k( 392) = ( 0.4031250 0.2327443 0.5205166), wk = 0.0023529 k( 393) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0023529 k( 394) = ( 0.3968750 0.2291359 0.5409290), wk = 0.0023529 k( 395) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0023529 k( 396) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0023529 k( 397) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0023529 k( 398) = ( 0.3843750 0.2219190 0.5817538), wk = 0.0023529 k( 399) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0023529 k( 400) = ( 0.3781250 0.2183106 0.6021662), wk = 0.0023529 k( 401) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023529 k( 402) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023529 k( 403) = ( 0.6195652 -0.0815821 0.4082483), wk = 0.0023529 k( 404) = ( 0.6141304 -0.0909954 0.4082483), wk = 0.0023529 k( 405) = ( 0.6086957 -0.1004087 0.4082483), wk = 0.0023529 k( 406) = ( 0.6032609 -0.1098221 0.4082483), wk = 0.0023529 k( 407) = ( 0.5978261 -0.1192354 0.4082483), wk = 0.0023529 k( 408) = ( 0.5923913 -0.1286487 0.4082483), wk = 0.0023529 k( 409) = ( 0.5869565 -0.1380620 0.4082483), wk = 0.0023529 k( 410) = ( 0.5815217 -0.1474753 0.4082483), wk = 0.0023529 k( 411) = ( 0.5760870 -0.1568887 0.4082483), wk = 0.0023529 k( 412) = ( 0.5706522 -0.1663020 0.4082483), wk = 0.0023529 k( 413) = ( 0.5652174 -0.1757153 0.4082483), wk = 0.0023529 k( 414) = ( 0.5597826 -0.1851286 0.4082483), wk = 0.0023529 k( 415) = ( 0.5543478 -0.1945419 0.4082483), wk = 0.0023529 k( 416) = ( 0.5489130 -0.2039553 0.4082483), wk = 0.0023529 k( 417) = ( 0.5434783 -0.2133686 0.4082483), wk = 0.0023529 k( 418) = ( 0.5380435 -0.2227819 0.4082483), wk = 0.0023529 k( 419) = ( 0.5326087 -0.2321952 0.4082483), wk = 0.0023529 k( 420) = ( 0.5271739 -0.2416085 0.4082483), wk = 0.0023529 k( 421) = ( 0.5217391 -0.2510219 0.4082483), wk = 0.0023529 k( 422) = ( 0.5163043 -0.2604352 0.4082483), wk = 0.0023529 k( 423) = ( 0.5108696 -0.2698485 0.4082483), wk = 0.0023529 k( 424) = ( 0.5054348 -0.2792618 0.4082483), wk = 0.0023529 k( 425) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023529 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 2) = ( 0.0078125 0.0000000 0.0078125), wk = 0.0023529 k( 3) = ( 0.0156250 0.0000000 0.0156250), wk = 0.0023529 k( 4) = ( 0.0234375 0.0000000 0.0234375), wk = 0.0023529 k( 5) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0023529 k( 6) = ( 0.0390625 -0.0000000 0.0390625), wk = 0.0023529 k( 7) = ( 0.0468750 0.0000000 0.0468750), wk = 0.0023529 k( 8) = ( 0.0546875 0.0000000 0.0546875), wk = 0.0023529 k( 9) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0023529 k( 10) = ( 0.0703125 0.0000000 0.0703125), wk = 0.0023529 k( 11) = ( 0.0781250 -0.0000000 0.0781250), wk = 0.0023529 k( 12) = ( 0.0859375 0.0000000 0.0859375), wk = 0.0023529 k( 13) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0023529 k( 14) = ( 0.1015625 0.0000000 0.1015625), wk = 0.0023529 k( 15) = ( 0.1093750 0.0000000 0.1093750), wk = 0.0023529 k( 16) = ( 0.1171875 0.0000000 0.1171875), wk = 0.0023529 k( 17) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0023529 k( 18) = ( 0.1328125 0.0000000 0.1328125), wk = 0.0023529 k( 19) = ( 0.1406250 0.0000000 0.1406250), wk = 0.0023529 k( 20) = ( 0.1484375 0.0000000 0.1484375), wk = 0.0023529 k( 21) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0023529 k( 22) = ( 0.1640625 0.0000000 0.1640625), wk = 0.0023529 k( 23) = ( 0.1718750 0.0000000 0.1718750), wk = 0.0023529 k( 24) = ( 0.1796875 0.0000000 0.1796875), wk = 0.0023529 k( 25) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0023529 k( 26) = ( 0.1953125 0.0000000 0.1953125), wk = 0.0023529 k( 27) = ( 0.2031250 0.0000000 0.2031250), wk = 0.0023529 k( 28) = ( 0.2109375 0.0000000 0.2109375), wk = 0.0023529 k( 29) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0023529 k( 30) = ( 0.2265625 0.0000000 0.2265625), wk = 0.0023529 k( 31) = ( 0.2343750 0.0000000 0.2343750), wk = 0.0023529 k( 32) = ( 0.2421875 0.0000000 0.2421875), wk = 0.0023529 k( 33) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0023529 k( 34) = ( 0.2578125 0.0000000 0.2578125), wk = 0.0023529 k( 35) = ( 0.2656250 0.0000000 0.2656250), wk = 0.0023529 k( 36) = ( 0.2734375 0.0000000 0.2734375), wk = 0.0023529 k( 37) = ( 0.2812500 0.0000000 0.2812500), wk = 0.0023529 k( 38) = ( 0.2890625 0.0000000 0.2890625), wk = 0.0023529 k( 39) = ( 0.2968750 0.0000000 0.2968750), wk = 0.0023529 k( 40) = ( 0.3046875 -0.0000000 0.3046875), wk = 0.0023529 k( 41) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0023529 k( 42) = ( 0.3203125 0.0000000 0.3203125), wk = 0.0023529 k( 43) = ( 0.3281250 0.0000000 0.3281250), wk = 0.0023529 k( 44) = ( 0.3359375 0.0000000 0.3359375), wk = 0.0023529 k( 45) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0023529 k( 46) = ( 0.3515625 0.0000000 0.3515625), wk = 0.0023529 k( 47) = ( 0.3593750 0.0000000 0.3593750), wk = 0.0023529 k( 48) = ( 0.3671875 -0.0000000 0.3671875), wk = 0.0023529 k( 49) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0023529 k( 50) = ( 0.3828125 0.0000000 0.3828125), wk = 0.0023529 k( 51) = ( 0.3906250 0.0000000 0.3906250), wk = 0.0023529 k( 52) = ( 0.3984375 0.0000000 0.3984375), wk = 0.0023529 k( 53) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0023529 k( 54) = ( 0.4140625 0.0000000 0.4140625), wk = 0.0023529 k( 55) = ( 0.4218750 0.0000000 0.4218750), wk = 0.0023529 k( 56) = ( 0.4296875 0.0000000 0.4296875), wk = 0.0023529 k( 57) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0023529 k( 58) = ( 0.4453125 -0.0000000 0.4453125), wk = 0.0023529 k( 59) = ( 0.4531250 0.0000000 0.4531250), wk = 0.0023529 k( 60) = ( 0.4609375 -0.0000000 0.4609375), wk = 0.0023529 k( 61) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0023529 k( 62) = ( 0.4765625 -0.0000000 0.4765625), wk = 0.0023529 k( 63) = ( 0.4843750 0.0000000 0.4843750), wk = 0.0023529 k( 64) = ( 0.4921875 -0.0000000 0.4921875), wk = 0.0023529 k( 65) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023529 k( 66) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023529 k( 67) = ( 0.5000000 0.0078125 0.5078125), wk = 0.0023529 k( 68) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0023529 k( 69) = ( 0.5000000 0.0234375 0.5234375), wk = 0.0023529 k( 70) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0023529 k( 71) = ( 0.5000000 0.0390625 0.5390625), wk = 0.0023529 k( 72) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0023529 k( 73) = ( 0.5000000 0.0546875 0.5546875), wk = 0.0023529 k( 74) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0023529 k( 75) = ( 0.5000000 0.0703125 0.5703125), wk = 0.0023529 k( 76) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0023529 k( 77) = ( 0.5000000 0.0859375 0.5859375), wk = 0.0023529 k( 78) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0023529 k( 79) = ( 0.5000000 0.1015625 0.6015625), wk = 0.0023529 k( 80) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0023529 k( 81) = ( 0.5000000 0.1171875 0.6171875), wk = 0.0023529 k( 82) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0023529 k( 83) = ( 0.5000000 0.1328125 0.6328125), wk = 0.0023529 k( 84) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0023529 k( 85) = ( 0.5000000 0.1484375 0.6484375), wk = 0.0023529 k( 86) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0023529 k( 87) = ( 0.5000000 0.1640625 0.6640625), wk = 0.0023529 k( 88) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0023529 k( 89) = ( 0.5000000 0.1796875 0.6796875), wk = 0.0023529 k( 90) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0023529 k( 91) = ( 0.5000000 0.1953125 0.6953125), wk = 0.0023529 k( 92) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0023529 k( 93) = ( 0.5000000 0.2109375 0.7109375), wk = 0.0023529 k( 94) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0023529 k( 95) = ( 0.5000000 0.2265625 0.7265625), wk = 0.0023529 k( 96) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0023529 k( 97) = ( 0.5000000 0.2421875 0.7421875), wk = 0.0023529 k( 98) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023529 k( 99) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023529 k( 100) = ( 0.4945652 0.2554348 0.7500000), wk = 0.0023529 k( 101) = ( 0.4891304 0.2608696 0.7500000), wk = 0.0023529 k( 102) = ( 0.4836956 0.2663044 0.7500000), wk = 0.0023529 k( 103) = ( 0.4782609 0.2717391 0.7500000), wk = 0.0023529 k( 104) = ( 0.4728261 0.2771739 0.7500000), wk = 0.0023529 k( 105) = ( 0.4673913 0.2826087 0.7500000), wk = 0.0023529 k( 106) = ( 0.4619565 0.2880435 0.7500000), wk = 0.0023529 k( 107) = ( 0.4565217 0.2934783 0.7500000), wk = 0.0023529 k( 108) = ( 0.4510870 0.2989130 0.7500000), wk = 0.0023529 k( 109) = ( 0.4456522 0.3043478 0.7500000), wk = 0.0023529 k( 110) = ( 0.4402174 0.3097826 0.7500000), wk = 0.0023529 k( 111) = ( 0.4347826 0.3152174 0.7500000), wk = 0.0023529 k( 112) = ( 0.4293478 0.3206522 0.7500000), wk = 0.0023529 k( 113) = ( 0.4239130 0.3260870 0.7500000), wk = 0.0023529 k( 114) = ( 0.4184783 0.3315217 0.7500000), wk = 0.0023529 k( 115) = ( 0.4130435 0.3369565 0.7500000), wk = 0.0023529 k( 116) = ( 0.4076087 0.3423913 0.7500000), wk = 0.0023529 k( 117) = ( 0.4021739 0.3478261 0.7500000), wk = 0.0023529 k( 118) = ( 0.3967391 0.3532609 0.7500000), wk = 0.0023529 k( 119) = ( 0.3913044 0.3586957 0.7500000), wk = 0.0023529 k( 120) = ( 0.3858696 0.3641304 0.7500000), wk = 0.0023529 k( 121) = ( 0.3804348 0.3695652 0.7500000), wk = 0.0023529 k( 122) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023529 k( 123) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023529 k( 124) = ( 0.3694853 0.3694853 0.7389706), wk = 0.0023529 k( 125) = ( 0.3639706 0.3639706 0.7279412), wk = 0.0023529 k( 126) = ( 0.3584559 0.3584559 0.7169118), wk = 0.0023529 k( 127) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0023529 k( 128) = ( 0.3474265 0.3474265 0.6948529), wk = 0.0023529 k( 129) = ( 0.3419118 0.3419118 0.6838235), wk = 0.0023529 k( 130) = ( 0.3363971 0.3363971 0.6727941), wk = 0.0023529 k( 131) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0023529 k( 132) = ( 0.3253677 0.3253677 0.6507353), wk = 0.0023529 k( 133) = ( 0.3198529 0.3198529 0.6397059), wk = 0.0023529 k( 134) = ( 0.3143382 0.3143382 0.6286765), wk = 0.0023529 k( 135) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0023529 k( 136) = ( 0.3033088 0.3033088 0.6066177), wk = 0.0023529 k( 137) = ( 0.2977941 0.2977941 0.5955882), wk = 0.0023529 k( 138) = ( 0.2922794 0.2922794 0.5845588), wk = 0.0023529 k( 139) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0023529 k( 140) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0023529 k( 141) = ( 0.2757353 0.2757353 0.5514706), wk = 0.0023529 k( 142) = ( 0.2702206 0.2702206 0.5404412), wk = 0.0023529 k( 143) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0023529 k( 144) = ( 0.2591912 0.2591912 0.5183823), wk = 0.0023529 k( 145) = ( 0.2536765 0.2536765 0.5073529), wk = 0.0023529 k( 146) = ( 0.2481618 0.2481618 0.4963235), wk = 0.0023529 k( 147) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0023529 k( 148) = ( 0.2371323 0.2371323 0.4742647), wk = 0.0023529 k( 149) = ( 0.2316177 0.2316177 0.4632353), wk = 0.0023529 k( 150) = ( 0.2261029 0.2261029 0.4522059), wk = 0.0023529 k( 151) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0023529 k( 152) = ( 0.2150735 0.2150735 0.4301471), wk = 0.0023529 k( 153) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0023529 k( 154) = ( 0.2040441 0.2040441 0.4080882), wk = 0.0023529 k( 155) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0023529 k( 156) = ( 0.1930147 0.1930147 0.3860294), wk = 0.0023529 k( 157) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0023529 k( 158) = ( 0.1819853 0.1819853 0.3639706), wk = 0.0023529 k( 159) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0023529 k( 160) = ( 0.1709559 0.1709559 0.3419118), wk = 0.0023529 k( 161) = ( 0.1654412 0.1654412 0.3308823), wk = 0.0023529 k( 162) = ( 0.1599265 0.1599265 0.3198529), wk = 0.0023529 k( 163) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0023529 k( 164) = ( 0.1488971 0.1488971 0.2977941), wk = 0.0023529 k( 165) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0023529 k( 166) = ( 0.1378677 0.1378677 0.2757353), wk = 0.0023529 k( 167) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0023529 k( 168) = ( 0.1268382 0.1268382 0.2536765), wk = 0.0023529 k( 169) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0023529 k( 170) = ( 0.1158088 0.1158088 0.2316176), wk = 0.0023529 k( 171) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0023529 k( 172) = ( 0.1047794 0.1047794 0.2095588), wk = 0.0023529 k( 173) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0023529 k( 174) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0023529 k( 175) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0023529 k( 176) = ( 0.0827206 0.0827206 0.1654412), wk = 0.0023529 k( 177) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0023529 k( 178) = ( 0.0716912 0.0716912 0.1433823), wk = 0.0023529 k( 179) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0023529 k( 180) = ( 0.0606618 0.0606618 0.1213235), wk = 0.0023529 k( 181) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0023529 k( 182) = ( 0.0496323 0.0496324 0.0992647), wk = 0.0023529 k( 183) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0023529 k( 184) = ( 0.0386029 0.0386029 0.0772059), wk = 0.0023529 k( 185) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0023529 k( 186) = ( 0.0275735 0.0275735 0.0551471), wk = 0.0023529 k( 187) = ( 0.0220588 0.0220588 0.0441176), wk = 0.0023529 k( 188) = ( 0.0165441 0.0165441 0.0330882), wk = 0.0023529 k( 189) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0023529 k( 190) = ( 0.0055147 0.0055147 0.0110294), wk = 0.0023529 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023529 k( 193) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0023529 k( 194) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0023529 k( 195) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0023529 k( 196) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0023529 k( 197) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0023529 k( 198) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0023529 k( 199) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0023529 k( 200) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0023529 k( 201) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0023529 k( 202) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0023529 k( 203) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0023529 k( 204) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0023529 k( 205) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0023529 k( 206) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023529 k( 207) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0023529 k( 208) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0023529 k( 209) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0023529 k( 210) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0023529 k( 211) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0023529 k( 212) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0023529 k( 213) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0023529 k( 214) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0023529 k( 215) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0023529 k( 216) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0023529 k( 217) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0023529 k( 218) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0023529 k( 219) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0023529 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023529 k( 221) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0023529 k( 222) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0023529 k( 223) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0023529 k( 224) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0023529 k( 225) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0023529 k( 226) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0023529 k( 227) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0023529 k( 228) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0023529 k( 229) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0023529 k( 230) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0023529 k( 231) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0023529 k( 232) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0023529 k( 233) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0023529 k( 234) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023529 k( 235) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0023529 k( 236) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0023529 k( 237) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0023529 k( 238) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0023529 k( 239) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0023529 k( 240) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0023529 k( 241) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0023529 k( 242) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0023529 k( 243) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0023529 k( 244) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0023529 k( 245) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0023529 k( 246) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0023529 k( 247) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0023529 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 250) = ( 0.5031250 0.4937500 0.5031250), wk = 0.0023529 k( 251) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0023529 k( 252) = ( 0.5093750 0.4812500 0.5093750), wk = 0.0023529 k( 253) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0023529 k( 254) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0023529 k( 255) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0023529 k( 256) = ( 0.5218750 0.4562500 0.5218750), wk = 0.0023529 k( 257) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0023529 k( 258) = ( 0.5281250 0.4437500 0.5281250), wk = 0.0023529 k( 259) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0023529 k( 260) = ( 0.5343750 0.4312500 0.5343750), wk = 0.0023529 k( 261) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0023529 k( 262) = ( 0.5406250 0.4187500 0.5406250), wk = 0.0023529 k( 263) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0023529 k( 264) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0023529 k( 265) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0023529 k( 266) = ( 0.5531250 0.3937500 0.5531250), wk = 0.0023529 k( 267) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0023529 k( 268) = ( 0.5593750 0.3812500 0.5593750), wk = 0.0023529 k( 269) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0023529 k( 270) = ( 0.5656250 0.3687500 0.5656250), wk = 0.0023529 k( 271) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0023529 k( 272) = ( 0.5718750 0.3562500 0.5718750), wk = 0.0023529 k( 273) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0023529 k( 274) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0023529 k( 275) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0023529 k( 276) = ( 0.5843750 0.3312500 0.5843750), wk = 0.0023529 k( 277) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0023529 k( 278) = ( 0.5906250 0.3187500 0.5906250), wk = 0.0023529 k( 279) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0023529 k( 280) = ( 0.5968750 0.3062500 0.5968750), wk = 0.0023529 k( 281) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0023529 k( 282) = ( 0.6031250 0.2937500 0.6031250), wk = 0.0023529 k( 283) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0023529 k( 284) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0023529 k( 285) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0023529 k( 286) = ( 0.6156250 0.2687500 0.6156250), wk = 0.0023529 k( 287) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0023529 k( 288) = ( 0.6218750 0.2562500 0.6218750), wk = 0.0023529 k( 289) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023529 k( 290) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023529 k( 291) = ( 0.6195652 0.2500000 0.6304348), wk = 0.0023529 k( 292) = ( 0.6141304 0.2500000 0.6358696), wk = 0.0023529 k( 293) = ( 0.6086957 0.2500000 0.6413043), wk = 0.0023529 k( 294) = ( 0.6032609 0.2500000 0.6467391), wk = 0.0023529 k( 295) = ( 0.5978261 0.2500000 0.6521739), wk = 0.0023529 k( 296) = ( 0.5923913 0.2500000 0.6576087), wk = 0.0023529 k( 297) = ( 0.5869565 0.2500000 0.6630435), wk = 0.0023529 k( 298) = ( 0.5815217 0.2500000 0.6684783), wk = 0.0023529 k( 299) = ( 0.5760870 0.2500000 0.6739130), wk = 0.0023529 k( 300) = ( 0.5706522 0.2500000 0.6793478), wk = 0.0023529 k( 301) = ( 0.5652174 0.2500000 0.6847826), wk = 0.0023529 k( 302) = ( 0.5597826 0.2500000 0.6902174), wk = 0.0023529 k( 303) = ( 0.5543478 0.2500000 0.6956522), wk = 0.0023529 k( 304) = ( 0.5489130 0.2500000 0.7010870), wk = 0.0023529 k( 305) = ( 0.5434783 0.2500000 0.7065217), wk = 0.0023529 k( 306) = ( 0.5380435 0.2500000 0.7119565), wk = 0.0023529 k( 307) = ( 0.5326087 0.2500000 0.7173913), wk = 0.0023529 k( 308) = ( 0.5271739 0.2500000 0.7228261), wk = 0.0023529 k( 309) = ( 0.5217391 0.2500000 0.7282609), wk = 0.0023529 k( 310) = ( 0.5163043 0.2500000 0.7336956), wk = 0.0023529 k( 311) = ( 0.5108696 0.2500000 0.7391304), wk = 0.0023529 k( 312) = ( 0.5054348 0.2500000 0.7445652), wk = 0.0023529 k( 313) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023529 k( 314) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023529 k( 315) = ( 0.5000000 0.2554348 0.7445652), wk = 0.0023529 k( 316) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0023529 k( 317) = ( 0.5000000 0.2663044 0.7336956), wk = 0.0023529 k( 318) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0023529 k( 319) = ( 0.5000000 0.2771739 0.7228261), wk = 0.0023529 k( 320) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0023529 k( 321) = ( 0.5000000 0.2880435 0.7119565), wk = 0.0023529 k( 322) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0023529 k( 323) = ( 0.5000000 0.2989130 0.7010870), wk = 0.0023529 k( 324) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0023529 k( 325) = ( 0.5000000 0.3097826 0.6902174), wk = 0.0023529 k( 326) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0023529 k( 327) = ( 0.5000000 0.3206522 0.6793478), wk = 0.0023529 k( 328) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0023529 k( 329) = ( 0.5000000 0.3315217 0.6684783), wk = 0.0023529 k( 330) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0023529 k( 331) = ( 0.5000000 0.3423913 0.6576087), wk = 0.0023529 k( 332) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0023529 k( 333) = ( 0.5000000 0.3532609 0.6467391), wk = 0.0023529 k( 334) = ( 0.5000000 0.3586957 0.6413043), wk = 0.0023529 k( 335) = ( 0.5000000 0.3641304 0.6358696), wk = 0.0023529 k( 336) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0023529 k( 337) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0023529 k( 338) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0023529 k( 339) = ( 0.5000000 0.3858696 0.6141304), wk = 0.0023529 k( 340) = ( 0.5000000 0.3913044 0.6086957), wk = 0.0023529 k( 341) = ( 0.5000000 0.3967391 0.6032609), wk = 0.0023529 k( 342) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0023529 k( 343) = ( 0.5000000 0.4076087 0.5923913), wk = 0.0023529 k( 344) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0023529 k( 345) = ( 0.5000000 0.4184783 0.5815217), wk = 0.0023529 k( 346) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0023529 k( 347) = ( 0.5000000 0.4293478 0.5706522), wk = 0.0023529 k( 348) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0023529 k( 349) = ( 0.5000000 0.4402174 0.5597826), wk = 0.0023529 k( 350) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0023529 k( 351) = ( 0.5000000 0.4510870 0.5489130), wk = 0.0023529 k( 352) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0023529 k( 353) = ( 0.5000000 0.4619565 0.5380435), wk = 0.0023529 k( 354) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0023529 k( 355) = ( 0.5000000 0.4728261 0.5271739), wk = 0.0023529 k( 356) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0023529 k( 357) = ( 0.5000000 0.4836956 0.5163043), wk = 0.0023529 k( 358) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0023529 k( 359) = ( 0.5000000 0.4945652 0.5054348), wk = 0.0023529 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023529 k( 362) = ( 0.4968750 0.4968750 0.5062500), wk = 0.0023529 k( 363) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0023529 k( 364) = ( 0.4906250 0.4906250 0.5187500), wk = 0.0023529 k( 365) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0023529 k( 366) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0023529 k( 367) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0023529 k( 368) = ( 0.4781250 0.4781250 0.5437500), wk = 0.0023529 k( 369) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0023529 k( 370) = ( 0.4718750 0.4718750 0.5562500), wk = 0.0023529 k( 371) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0023529 k( 372) = ( 0.4656250 0.4656250 0.5687500), wk = 0.0023529 k( 373) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0023529 k( 374) = ( 0.4593750 0.4593750 0.5812500), wk = 0.0023529 k( 375) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0023529 k( 376) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0023529 k( 377) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0023529 k( 378) = ( 0.4468750 0.4468750 0.6062500), wk = 0.0023529 k( 379) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0023529 k( 380) = ( 0.4406250 0.4406250 0.6187500), wk = 0.0023529 k( 381) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0023529 k( 382) = ( 0.4343750 0.4343750 0.6312500), wk = 0.0023529 k( 383) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0023529 k( 384) = ( 0.4281250 0.4281250 0.6437500), wk = 0.0023529 k( 385) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0023529 k( 386) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0023529 k( 387) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0023529 k( 388) = ( 0.4156250 0.4156250 0.6687500), wk = 0.0023529 k( 389) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0023529 k( 390) = ( 0.4093750 0.4093750 0.6812500), wk = 0.0023529 k( 391) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0023529 k( 392) = ( 0.4031250 0.4031250 0.6937500), wk = 0.0023529 k( 393) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0023529 k( 394) = ( 0.3968750 0.3968750 0.7062500), wk = 0.0023529 k( 395) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0023529 k( 396) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0023529 k( 397) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0023529 k( 398) = ( 0.3843750 0.3843750 0.7312500), wk = 0.0023529 k( 399) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0023529 k( 400) = ( 0.3781250 0.3781250 0.7437500), wk = 0.0023529 k( 401) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023529 k( 402) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023529 k( 403) = ( 0.6195652 0.2391304 0.6195652), wk = 0.0023529 k( 404) = ( 0.6141304 0.2282609 0.6141304), wk = 0.0023529 k( 405) = ( 0.6086957 0.2173913 0.6086956), wk = 0.0023529 k( 406) = ( 0.6032609 0.2065217 0.6032609), wk = 0.0023529 k( 407) = ( 0.5978261 0.1956522 0.5978261), wk = 0.0023529 k( 408) = ( 0.5923913 0.1847826 0.5923913), wk = 0.0023529 k( 409) = ( 0.5869565 0.1739130 0.5869565), wk = 0.0023529 k( 410) = ( 0.5815217 0.1630435 0.5815217), wk = 0.0023529 k( 411) = ( 0.5760870 0.1521739 0.5760870), wk = 0.0023529 k( 412) = ( 0.5706522 0.1413044 0.5706522), wk = 0.0023529 k( 413) = ( 0.5652174 0.1304348 0.5652174), wk = 0.0023529 k( 414) = ( 0.5597826 0.1195652 0.5597826), wk = 0.0023529 k( 415) = ( 0.5543478 0.1086957 0.5543478), wk = 0.0023529 k( 416) = ( 0.5489130 0.0978261 0.5489130), wk = 0.0023529 k( 417) = ( 0.5434783 0.0869565 0.5434783), wk = 0.0023529 k( 418) = ( 0.5380435 0.0760870 0.5380435), wk = 0.0023529 k( 419) = ( 0.5326087 0.0652174 0.5326087), wk = 0.0023529 k( 420) = ( 0.5271739 0.0543478 0.5271739), wk = 0.0023529 k( 421) = ( 0.5217391 0.0434783 0.5217391), wk = 0.0023529 k( 422) = ( 0.5163043 0.0326087 0.5163043), wk = 0.0023529 k( 423) = ( 0.5108696 0.0217391 0.5108696), wk = 0.0023529 k( 424) = ( 0.5054348 0.0108696 0.5054348), wk = 0.0023529 k( 425) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023529 Dense grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 8609 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 26) NL pseudopotentials 0.03 Mb ( 28, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 344) G-vector shells 0.00 Mb ( 132) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 56, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CuCl.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.9 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.4 secs Computing kpt #: 23 total cpu time spent up to now is 4.5 secs Computing kpt #: 24 total cpu time spent up to now is 4.6 secs Computing kpt #: 25 total cpu time spent up to now is 4.7 secs Computing kpt #: 26 total cpu time spent up to now is 4.8 secs Computing kpt #: 27 total cpu time spent up to now is 5.0 secs Computing kpt #: 28 total cpu time spent up to now is 5.1 secs Computing kpt #: 29 total cpu time spent up to now is 5.2 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.5 secs Computing kpt #: 32 total cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.2 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.6 secs Computing kpt #: 41 total cpu time spent up to now is 6.7 secs Computing kpt #: 42 total cpu time spent up to now is 6.8 secs Computing kpt #: 43 total cpu time spent up to now is 6.9 secs Computing kpt #: 44 total cpu time spent up to now is 7.1 secs Computing kpt #: 45 total cpu time spent up to now is 7.2 secs Computing kpt #: 46 total cpu time spent up to now is 7.3 secs Computing kpt #: 47 total cpu time spent up to now is 7.4 secs Computing kpt #: 48 total cpu time spent up to now is 7.5 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.4 secs Computing kpt #: 56 total cpu time spent up to now is 8.5 secs Computing kpt #: 57 total cpu time spent up to now is 8.7 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 8.9 secs Computing kpt #: 60 total cpu time spent up to now is 9.3 secs Computing kpt #: 61 total cpu time spent up to now is 9.4 secs Computing kpt #: 62 total cpu time spent up to now is 9.5 secs Computing kpt #: 63 total cpu time spent up to now is 9.6 secs Computing kpt #: 64 total cpu time spent up to now is 9.7 secs Computing kpt #: 65 total cpu time spent up to now is 9.8 secs Computing kpt #: 66 total cpu time spent up to now is 9.9 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.2 secs Computing kpt #: 71 total cpu time spent up to now is 10.3 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.4 secs Computing kpt #: 74 total cpu time spent up to now is 10.5 secs Computing kpt #: 75 total cpu time spent up to now is 10.6 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 10.9 secs Computing kpt #: 81 total cpu time spent up to now is 11.0 secs Computing kpt #: 82 total cpu time spent up to now is 11.1 secs Computing kpt #: 83 total cpu time spent up to now is 11.2 secs Computing kpt #: 84 total cpu time spent up to now is 11.2 secs Computing kpt #: 85 total cpu time spent up to now is 11.3 secs Computing kpt #: 86 total cpu time spent up to now is 11.4 secs Computing kpt #: 87 total cpu time spent up to now is 11.5 secs Computing kpt #: 88 total cpu time spent up to now is 11.5 secs Computing kpt #: 89 total cpu time spent up to now is 11.6 secs Computing kpt #: 90 total cpu time spent up to now is 11.7 secs Computing kpt #: 91 total cpu time spent up to now is 11.8 secs Computing kpt #: 92 total cpu time spent up to now is 11.8 secs Computing kpt #: 93 total cpu time spent up to now is 11.9 secs Computing kpt #: 94 total cpu time spent up to now is 12.0 secs Computing kpt #: 95 total cpu time spent up to now is 12.1 secs Computing kpt #: 96 total cpu time spent up to now is 12.1 secs Computing kpt #: 97 total cpu time spent up to now is 12.2 secs Computing kpt #: 98 total cpu time spent up to now is 12.3 secs Computing kpt #: 99 total cpu time spent up to now is 12.3 secs Computing kpt #: 100 total cpu time spent up to now is 12.4 secs Computing kpt #: 101 total cpu time spent up to now is 12.5 secs Computing kpt #: 102 total cpu time spent up to now is 12.6 secs Computing kpt #: 103 total cpu time spent up to now is 12.6 secs Computing kpt #: 104 total cpu time spent up to now is 12.7 secs Computing kpt #: 105 total cpu time spent up to now is 12.8 secs Computing kpt #: 106 total cpu time spent up to now is 12.9 secs Computing kpt #: 107 total cpu time spent up to now is 12.9 secs Computing kpt #: 108 total cpu time spent up to now is 13.0 secs Computing kpt #: 109 total cpu time spent up to now is 13.1 secs Computing kpt #: 110 total cpu time spent up to now is 13.2 secs Computing kpt #: 111 total cpu time spent up to now is 13.2 secs Computing kpt #: 112 total cpu time spent up to now is 13.3 secs Computing kpt #: 113 total cpu time spent up to now is 13.4 secs Computing kpt #: 114 total cpu time spent up to now is 13.5 secs Computing kpt #: 115 total cpu time spent up to now is 13.5 secs Computing kpt #: 116 total cpu time spent up to now is 13.6 secs Computing kpt #: 117 total cpu time spent up to now is 13.7 secs Computing kpt #: 118 total cpu time spent up to now is 13.8 secs Computing kpt #: 119 total cpu time spent up to now is 13.8 secs Computing kpt #: 120 total cpu time spent up to now is 13.9 secs Computing kpt #: 121 total cpu time spent up to now is 14.0 secs Computing kpt #: 122 total cpu time spent up to now is 14.1 secs Computing kpt #: 123 total cpu time spent up to now is 14.1 secs Computing kpt #: 124 total cpu time spent up to now is 14.2 secs Computing kpt #: 125 total cpu time spent up to now is 14.3 secs Computing kpt #: 126 total cpu time spent up to now is 14.4 secs Computing kpt #: 127 total cpu time spent up to now is 14.4 secs Computing kpt #: 128 total cpu time spent up to now is 14.5 secs Computing kpt #: 129 total cpu time spent up to now is 14.6 secs Computing kpt #: 130 total cpu time spent up to now is 14.6 secs Computing kpt #: 131 total cpu time spent up to now is 14.7 secs Computing kpt #: 132 total cpu time spent up to now is 14.8 secs Computing kpt #: 133 total cpu time spent up to now is 14.9 secs Computing kpt #: 134 total cpu time spent up to now is 14.9 secs Computing kpt #: 135 total cpu time spent up to now is 15.0 secs Computing kpt #: 136 total cpu time spent up to now is 15.1 secs Computing kpt #: 137 total cpu time spent up to now is 15.2 secs Computing kpt #: 138 total cpu time spent up to now is 15.2 secs Computing kpt #: 139 total cpu time spent up to now is 15.3 secs Computing kpt #: 140 total cpu time spent up to now is 15.4 secs Computing kpt #: 141 total cpu time spent up to now is 15.4 secs Computing kpt #: 142 total cpu time spent up to now is 15.5 secs Computing kpt #: 143 total cpu time spent up to now is 15.6 secs Computing kpt #: 144 total cpu time spent up to now is 15.7 secs Computing kpt #: 145 total cpu time spent up to now is 15.7 secs Computing kpt #: 146 total cpu time spent up to now is 15.8 secs Computing kpt #: 147 total cpu time spent up to now is 15.9 secs Computing kpt #: 148 total cpu time spent up to now is 16.0 secs Computing kpt #: 149 total cpu time spent up to now is 16.0 secs Computing kpt #: 150 total cpu time spent up to now is 16.1 secs Computing kpt #: 151 total cpu time spent up to now is 16.2 secs Computing kpt #: 152 total cpu time spent up to now is 16.2 secs Computing kpt #: 153 total cpu time spent up to now is 16.3 secs Computing kpt #: 154 total cpu time spent up to now is 16.4 secs Computing kpt #: 155 total cpu time spent up to now is 16.5 secs Computing kpt #: 156 total cpu time spent up to now is 16.5 secs Computing kpt #: 157 total cpu time spent up to now is 16.6 secs Computing kpt #: 158 total cpu time spent up to now is 16.7 secs Computing kpt #: 159 total cpu time spent up to now is 16.8 secs Computing kpt #: 160 total cpu time spent up to now is 16.8 secs Computing kpt #: 161 total cpu time spent up to now is 16.9 secs Computing kpt #: 162 total cpu time spent up to now is 17.0 secs Computing kpt #: 163 total cpu time spent up to now is 17.1 secs Computing kpt #: 164 total cpu time spent up to now is 17.1 secs Computing kpt #: 165 total cpu time spent up to now is 17.2 secs Computing kpt #: 166 total cpu time spent up to now is 17.3 secs Computing kpt #: 167 total cpu time spent up to now is 17.4 secs Computing kpt #: 168 total cpu time spent up to now is 17.4 secs Computing kpt #: 169 total cpu time spent up to now is 17.5 secs Computing kpt #: 170 total cpu time spent up to now is 17.6 secs Computing kpt #: 171 total cpu time spent up to now is 17.7 secs Computing kpt #: 172 total cpu time spent up to now is 17.7 secs Computing kpt #: 173 total cpu time spent up to now is 17.8 secs Computing kpt #: 174 total cpu time spent up to now is 17.9 secs Computing kpt #: 175 total cpu time spent up to now is 18.1 secs Computing kpt #: 176 total cpu time spent up to now is 18.2 secs Computing kpt #: 177 total cpu time spent up to now is 18.2 secs Computing kpt #: 178 total cpu time spent up to now is 18.3 secs Computing kpt #: 179 total cpu time spent up to now is 18.4 secs Computing kpt #: 180 total cpu time spent up to now is 18.5 secs Computing kpt #: 181 total cpu time spent up to now is 18.6 secs Computing kpt #: 182 total cpu time spent up to now is 18.6 secs Computing kpt #: 183 total cpu time spent up to now is 18.7 secs Computing kpt #: 184 total cpu time spent up to now is 18.8 secs Computing kpt #: 185 total cpu time spent up to now is 18.9 secs Computing kpt #: 186 total cpu time spent up to now is 19.0 secs Computing kpt #: 187 total cpu time spent up to now is 19.0 secs Computing kpt #: 188 total cpu time spent up to now is 19.1 secs Computing kpt #: 189 total cpu time spent up to now is 19.2 secs Computing kpt #: 190 total cpu time spent up to now is 19.3 secs Computing kpt #: 191 total cpu time spent up to now is 19.3 secs Computing kpt #: 192 total cpu time spent up to now is 19.4 secs Computing kpt #: 193 total cpu time spent up to now is 19.5 secs Computing kpt #: 194 total cpu time spent up to now is 19.6 secs Computing kpt #: 195 total cpu time spent up to now is 19.7 secs Computing kpt #: 196 total cpu time spent up to now is 19.7 secs Computing kpt #: 197 total cpu time spent up to now is 19.8 secs Computing kpt #: 198 total cpu time spent up to now is 19.9 secs Computing kpt #: 199 total cpu time spent up to now is 20.0 secs Computing kpt #: 200 total cpu time spent up to now is 20.0 secs Computing kpt #: 201 total cpu time spent up to now is 20.1 secs Computing kpt #: 202 total cpu time spent up to now is 20.2 secs Computing kpt #: 203 total cpu time spent up to now is 20.3 secs Computing kpt #: 204 total cpu time spent up to now is 20.4 secs Computing kpt #: 205 total cpu time spent up to now is 20.5 secs Computing kpt #: 206 total cpu time spent up to now is 20.5 secs Computing kpt #: 207 total cpu time spent up to now is 20.6 secs Computing kpt #: 208 total cpu time spent up to now is 20.7 secs Computing kpt #: 209 total cpu time spent up to now is 20.8 secs Computing kpt #: 210 total cpu time spent up to now is 20.9 secs Computing kpt #: 211 total cpu time spent up to now is 20.9 secs Computing kpt #: 212 total cpu time spent up to now is 21.0 secs Computing kpt #: 213 total cpu time spent up to now is 21.1 secs Computing kpt #: 214 total cpu time spent up to now is 21.2 secs Computing kpt #: 215 total cpu time spent up to now is 21.3 secs Computing kpt #: 216 total cpu time spent up to now is 21.3 secs Computing kpt #: 217 total cpu time spent up to now is 21.4 secs Computing kpt #: 218 total cpu time spent up to now is 21.5 secs Computing kpt #: 219 total cpu time spent up to now is 21.6 secs Computing kpt #: 220 total cpu time spent up to now is 21.6 secs Computing kpt #: 221 total cpu time spent up to now is 21.7 secs Computing kpt #: 222 total cpu time spent up to now is 21.8 secs Computing kpt #: 223 total cpu time spent up to now is 21.9 secs Computing kpt #: 224 total cpu time spent up to now is 21.9 secs Computing kpt #: 225 total cpu time spent up to now is 22.0 secs Computing kpt #: 226 total cpu time spent up to now is 22.1 secs Computing kpt #: 227 total cpu time spent up to now is 22.2 secs Computing kpt #: 228 total cpu time spent up to now is 22.2 secs Computing kpt #: 229 total cpu time spent up to now is 22.3 secs Computing kpt #: 230 total cpu time spent up to now is 22.4 secs Computing kpt #: 231 total cpu time spent up to now is 22.4 secs Computing kpt #: 232 total cpu time spent up to now is 22.5 secs Computing kpt #: 233 total cpu time spent up to now is 22.6 secs Computing kpt #: 234 total cpu time spent up to now is 22.7 secs Computing kpt #: 235 total cpu time spent up to now is 22.7 secs Computing kpt #: 236 total cpu time spent up to now is 22.8 secs Computing kpt #: 237 total cpu time spent up to now is 22.9 secs Computing kpt #: 238 total cpu time spent up to now is 22.9 secs Computing kpt #: 239 total cpu time spent up to now is 23.0 secs Computing kpt #: 240 total cpu time spent up to now is 23.1 secs Computing kpt #: 241 total cpu time spent up to now is 23.2 secs Computing kpt #: 242 total cpu time spent up to now is 23.2 secs Computing kpt #: 243 total cpu time spent up to now is 23.3 secs Computing kpt #: 244 total cpu time spent up to now is 23.4 secs Computing kpt #: 245 total cpu time spent up to now is 23.5 secs Computing kpt #: 246 total cpu time spent up to now is 23.5 secs Computing kpt #: 247 total cpu time spent up to now is 23.6 secs Computing kpt #: 248 total cpu time spent up to now is 23.7 secs Computing kpt #: 249 total cpu time spent up to now is 23.8 secs Computing kpt #: 250 total cpu time spent up to now is 23.8 secs Computing kpt #: 251 total cpu time spent up to now is 23.9 secs Computing kpt #: 252 total cpu time spent up to now is 24.0 secs Computing kpt #: 253 total cpu time spent up to now is 24.1 secs Computing kpt #: 254 total cpu time spent up to now is 24.1 secs Computing kpt #: 255 total cpu time spent up to now is 24.2 secs Computing kpt #: 256 total cpu time spent up to now is 24.3 secs Computing kpt #: 257 total cpu time spent up to now is 24.4 secs Computing kpt #: 258 total cpu time spent up to now is 24.4 secs Computing kpt #: 259 total cpu time spent up to now is 24.5 secs Computing kpt #: 260 total cpu time spent up to now is 24.6 secs Computing kpt #: 261 total cpu time spent up to now is 24.7 secs Computing kpt #: 262 total cpu time spent up to now is 24.7 secs Computing kpt #: 263 total cpu time spent up to now is 24.8 secs Computing kpt #: 264 total cpu time spent up to now is 24.9 secs Computing kpt #: 265 total cpu time spent up to now is 24.9 secs Computing kpt #: 266 total cpu time spent up to now is 25.0 secs Computing kpt #: 267 total cpu time spent up to now is 25.1 secs Computing kpt #: 268 total cpu time spent up to now is 25.2 secs Computing kpt #: 269 total cpu time spent up to now is 25.2 secs Computing kpt #: 270 total cpu time spent up to now is 25.3 secs Computing kpt #: 271 total cpu time spent up to now is 25.4 secs Computing kpt #: 272 total cpu time spent up to now is 25.5 secs Computing kpt #: 273 total cpu time spent up to now is 25.5 secs Computing kpt #: 274 total cpu time spent up to now is 25.6 secs Computing kpt #: 275 total cpu time spent up to now is 25.7 secs Computing kpt #: 276 total cpu time spent up to now is 25.8 secs Computing kpt #: 277 total cpu time spent up to now is 25.8 secs Computing kpt #: 278 total cpu time spent up to now is 25.9 secs Computing kpt #: 279 total cpu time spent up to now is 26.0 secs Computing kpt #: 280 total cpu time spent up to now is 26.1 secs Computing kpt #: 281 total cpu time spent up to now is 26.1 secs Computing kpt #: 282 total cpu time spent up to now is 26.2 secs Computing kpt #: 283 total cpu time spent up to now is 26.3 secs Computing kpt #: 284 total cpu time spent up to now is 26.4 secs Computing kpt #: 285 total cpu time spent up to now is 26.4 secs Computing kpt #: 286 total cpu time spent up to now is 26.5 secs Computing kpt #: 287 total cpu time spent up to now is 26.6 secs Computing kpt #: 288 total cpu time spent up to now is 26.7 secs Computing kpt #: 289 total cpu time spent up to now is 26.7 secs Computing kpt #: 290 total cpu time spent up to now is 26.8 secs Computing kpt #: 291 total cpu time spent up to now is 26.9 secs Computing kpt #: 292 total cpu time spent up to now is 27.0 secs Computing kpt #: 293 total cpu time spent up to now is 27.0 secs Computing kpt #: 294 total cpu time spent up to now is 27.1 secs Computing kpt #: 295 total cpu time spent up to now is 27.2 secs Computing kpt #: 296 total cpu time spent up to now is 27.3 secs Computing kpt #: 297 total cpu time spent up to now is 27.3 secs Computing kpt #: 298 total cpu time spent up to now is 27.4 secs Computing kpt #: 299 total cpu time spent up to now is 27.5 secs Computing kpt #: 300 total cpu time spent up to now is 27.5 secs Computing kpt #: 301 total cpu time spent up to now is 27.6 secs Computing kpt #: 302 total cpu time spent up to now is 27.7 secs Computing kpt #: 303 total cpu time spent up to now is 27.8 secs Computing kpt #: 304 total cpu time spent up to now is 27.8 secs Computing kpt #: 305 total cpu time spent up to now is 27.9 secs Computing kpt #: 306 total cpu time spent up to now is 28.0 secs Computing kpt #: 307 total cpu time spent up to now is 28.1 secs Computing kpt #: 308 total cpu time spent up to now is 28.1 secs Computing kpt #: 309 total cpu time spent up to now is 28.2 secs Computing kpt #: 310 total cpu time spent up to now is 28.3 secs Computing kpt #: 311 total cpu time spent up to now is 28.4 secs Computing kpt #: 312 total cpu time spent up to now is 28.4 secs Computing kpt #: 313 total cpu time spent up to now is 28.5 secs Computing kpt #: 314 total cpu time spent up to now is 28.6 secs Computing kpt #: 315 total cpu time spent up to now is 28.7 secs Computing kpt #: 316 total cpu time spent up to now is 28.7 secs Computing kpt #: 317 total cpu time spent up to now is 28.8 secs Computing kpt #: 318 total cpu time spent up to now is 28.9 secs Computing kpt #: 319 total cpu time spent up to now is 29.0 secs Computing kpt #: 320 total cpu time spent up to now is 29.0 secs Computing kpt #: 321 total cpu time spent up to now is 29.1 secs Computing kpt #: 322 total cpu time spent up to now is 29.2 secs Computing kpt #: 323 total cpu time spent up to now is 29.3 secs Computing kpt #: 324 total cpu time spent up to now is 29.4 secs Computing kpt #: 325 total cpu time spent up to now is 29.4 secs Computing kpt #: 326 total cpu time spent up to now is 29.5 secs Computing kpt #: 327 total cpu time spent up to now is 29.6 secs Computing kpt #: 328 total cpu time spent up to now is 29.7 secs Computing kpt #: 329 total cpu time spent up to now is 29.7 secs Computing kpt #: 330 total cpu time spent up to now is 29.8 secs Computing kpt #: 331 total cpu time spent up to now is 29.9 secs Computing kpt #: 332 total cpu time spent up to now is 30.0 secs Computing kpt #: 333 total cpu time spent up to now is 30.0 secs Computing kpt #: 334 total cpu time spent up to now is 30.1 secs Computing kpt #: 335 total cpu time spent up to now is 30.2 secs Computing kpt #: 336 total cpu time spent up to now is 30.3 secs Computing kpt #: 337 total cpu time spent up to now is 30.3 secs Computing kpt #: 338 total cpu time spent up to now is 30.4 secs Computing kpt #: 339 total cpu time spent up to now is 30.5 secs Computing kpt #: 340 total cpu time spent up to now is 30.6 secs Computing kpt #: 341 total cpu time spent up to now is 30.6 secs Computing kpt #: 342 total cpu time spent up to now is 30.7 secs Computing kpt #: 343 total cpu time spent up to now is 30.8 secs Computing kpt #: 344 total cpu time spent up to now is 30.9 secs Computing kpt #: 345 total cpu time spent up to now is 30.9 secs Computing kpt #: 346 total cpu time spent up to now is 31.0 secs Computing kpt #: 347 total cpu time spent up to now is 31.1 secs Computing kpt #: 348 total cpu time spent up to now is 31.2 secs Computing kpt #: 349 total cpu time spent up to now is 31.2 secs Computing kpt #: 350 total cpu time spent up to now is 31.3 secs Computing kpt #: 351 total cpu time spent up to now is 31.4 secs Computing kpt #: 352 total cpu time spent up to now is 31.5 secs Computing kpt #: 353 total cpu time spent up to now is 31.5 secs Computing kpt #: 354 total cpu time spent up to now is 31.6 secs Computing kpt #: 355 total cpu time spent up to now is 31.7 secs Computing kpt #: 356 total cpu time spent up to now is 31.7 secs Computing kpt #: 357 total cpu time spent up to now is 31.8 secs Computing kpt #: 358 total cpu time spent up to now is 31.9 secs Computing kpt #: 359 total cpu time spent up to now is 32.0 secs Computing kpt #: 360 total cpu time spent up to now is 32.1 secs Computing kpt #: 361 total cpu time spent up to now is 32.1 secs Computing kpt #: 362 total cpu time spent up to now is 32.2 secs Computing kpt #: 363 total cpu time spent up to now is 32.3 secs Computing kpt #: 364 total cpu time spent up to now is 32.4 secs Computing kpt #: 365 total cpu time spent up to now is 32.4 secs Computing kpt #: 366 total cpu time spent up to now is 32.5 secs Computing kpt #: 367 total cpu time spent up to now is 32.6 secs Computing kpt #: 368 total cpu time spent up to now is 32.7 secs Computing kpt #: 369 total cpu time spent up to now is 32.7 secs Computing kpt #: 370 total cpu time spent up to now is 32.8 secs Computing kpt #: 371 total cpu time spent up to now is 32.9 secs Computing kpt #: 372 total cpu time spent up to now is 33.0 secs Computing kpt #: 373 total cpu time spent up to now is 33.0 secs Computing kpt #: 374 total cpu time spent up to now is 33.1 secs Computing kpt #: 375 total cpu time spent up to now is 33.2 secs Computing kpt #: 376 total cpu time spent up to now is 33.3 secs Computing kpt #: 377 total cpu time spent up to now is 33.3 secs Computing kpt #: 378 total cpu time spent up to now is 33.4 secs Computing kpt #: 379 total cpu time spent up to now is 33.5 secs Computing kpt #: 380 total cpu time spent up to now is 33.5 secs Computing kpt #: 381 total cpu time spent up to now is 33.6 secs Computing kpt #: 382 total cpu time spent up to now is 33.7 secs Computing kpt #: 383 total cpu time spent up to now is 33.8 secs Computing kpt #: 384 total cpu time spent up to now is 33.8 secs Computing kpt #: 385 total cpu time spent up to now is 33.9 secs Computing kpt #: 386 total cpu time spent up to now is 34.0 secs Computing kpt #: 387 total cpu time spent up to now is 34.1 secs Computing kpt #: 388 total cpu time spent up to now is 34.1 secs Computing kpt #: 389 total cpu time spent up to now is 34.2 secs Computing kpt #: 390 total cpu time spent up to now is 34.3 secs Computing kpt #: 391 total cpu time spent up to now is 34.4 secs Computing kpt #: 392 total cpu time spent up to now is 34.4 secs Computing kpt #: 393 total cpu time spent up to now is 34.5 secs Computing kpt #: 394 total cpu time spent up to now is 34.6 secs Computing kpt #: 395 total cpu time spent up to now is 34.7 secs Computing kpt #: 396 total cpu time spent up to now is 34.7 secs Computing kpt #: 397 total cpu time spent up to now is 34.8 secs Computing kpt #: 398 total cpu time spent up to now is 34.9 secs Computing kpt #: 399 total cpu time spent up to now is 34.9 secs Computing kpt #: 400 total cpu time spent up to now is 35.0 secs Computing kpt #: 401 total cpu time spent up to now is 35.1 secs Computing kpt #: 402 total cpu time spent up to now is 35.2 secs Computing kpt #: 403 total cpu time spent up to now is 35.3 secs Computing kpt #: 404 total cpu time spent up to now is 35.3 secs Computing kpt #: 405 total cpu time spent up to now is 35.4 secs Computing kpt #: 406 total cpu time spent up to now is 35.5 secs Computing kpt #: 407 total cpu time spent up to now is 35.6 secs Computing kpt #: 408 total cpu time spent up to now is 35.6 secs Computing kpt #: 409 total cpu time spent up to now is 35.7 secs Computing kpt #: 410 total cpu time spent up to now is 35.8 secs Computing kpt #: 411 total cpu time spent up to now is 35.9 secs Computing kpt #: 412 total cpu time spent up to now is 35.9 secs Computing kpt #: 413 total cpu time spent up to now is 36.0 secs Computing kpt #: 414 total cpu time spent up to now is 36.1 secs Computing kpt #: 415 total cpu time spent up to now is 36.2 secs Computing kpt #: 416 total cpu time spent up to now is 36.3 secs Computing kpt #: 417 total cpu time spent up to now is 36.3 secs Computing kpt #: 418 total cpu time spent up to now is 36.4 secs Computing kpt #: 419 total cpu time spent up to now is 36.5 secs Computing kpt #: 420 total cpu time spent up to now is 36.6 secs Computing kpt #: 421 total cpu time spent up to now is 36.7 secs Computing kpt #: 422 total cpu time spent up to now is 36.8 secs Computing kpt #: 423 total cpu time spent up to now is 36.8 secs Computing kpt #: 424 total cpu time spent up to now is 36.9 secs Computing kpt #: 425 total cpu time spent up to now is 37.0 secs ethr = 5.56E-08, avg # of iterations = 11.0 total cpu time spent up to now is 37.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -8.0396 -8.0396 6.0307 6.0307 6.1787 6.1787 6.1787 6.1787 7.8100 7.8100 7.8100 7.8100 8.0469 8.0469 8.0721 8.0721 8.0721 8.0721 10.6745 10.6745 19.2126 19.2126 19.2126 19.2126 19.2509 19.2509 k = 0.0078-0.0045 0.0064 ( 1067 PWs) bands (ev): -8.0389 -8.0389 6.0271 6.0271 6.1726 6.1726 6.1770 6.1770 7.8102 7.8102 7.8127 7.8127 8.0478 8.0478 8.0723 8.0723 8.0754 8.0754 10.6802 10.6802 19.2080 19.2080 19.2116 19.2116 19.2483 19.2483 k = 0.0156-0.0090 0.0128 ( 1067 PWs) bands (ev): -8.0368 -8.0368 6.0157 6.0157 6.1553 6.1553 6.1719 6.1719 7.8109 7.8109 7.8205 7.8205 8.0503 8.0503 8.0730 8.0730 8.0855 8.0855 10.6975 10.6975 19.1928 19.1928 19.2085 19.2085 19.2423 19.2423 k = 0.0234-0.0135 0.0191 ( 1067 PWs) bands (ev): -8.0333 -8.0333 5.9946 5.9946 6.1297 6.1297 6.1635 6.1635 7.8120 7.8120 7.8329 7.8329 8.0539 8.0539 8.0747 8.0747 8.1018 8.1018 10.7261 10.7261 19.1653 19.1653 19.2036 19.2036 19.2351 19.2351 k = 0.0312-0.0180 0.0255 ( 1066 PWs) bands (ev): -8.0284 -8.0284 5.9608 5.9608 6.1004 6.1004 6.1520 6.1520 7.8133 7.8133 7.8489 7.8489 8.0576 8.0576 8.0786 8.0786 8.1239 8.1239 10.7659 10.7659 19.1260 19.1260 19.1969 19.1969 19.2275 19.2275 k = 0.0391-0.0226 0.0319 ( 1062 PWs) bands (ev): -8.0221 -8.0221 5.9123 5.9123 6.0715 6.0715 6.1374 6.1374 7.8147 7.8147 7.8677 7.8677 8.0602 8.0602 8.0858 8.0858 8.1509 8.1509 10.8167 10.8167 19.0763 19.0763 19.1887 19.1887 19.2193 19.2193 k = 0.0469-0.0271 0.0383 ( 1058 PWs) bands (ev): -8.0145 -8.0145 5.8496 5.8496 6.0443 6.0443 6.1200 6.1200 7.8160 7.8160 7.8884 7.8884 8.0616 8.0616 8.0965 8.0965 8.1817 8.1817 10.8782 10.8782 19.0177 19.0177 19.1792 19.1792 19.2104 19.2104 k = 0.0547-0.0316 0.0447 ( 1058 PWs) bands (ev): -8.0054 -8.0054 5.7755 5.7755 6.0180 6.0180 6.0999 6.0999 7.8170 7.8170 7.9106 7.9106 8.0620 8.0620 8.1100 8.1100 8.2152 8.2152 10.9499 10.9499 18.9518 18.9518 19.1688 19.1688 19.2010 19.2010 k = 0.0625-0.0361 0.0510 ( 1054 PWs) bands (ev): -7.9951 -7.9951 5.6927 5.6927 5.9915 5.9915 6.0774 6.0774 7.8176 7.8176 7.9340 7.9340 8.0621 8.0621 8.1260 8.1260 8.2507 8.2507 11.0312 11.0312 18.8799 18.8799 19.1577 19.1577 19.1912 19.1912 k = 0.0703-0.0406 0.0574 ( 1054 PWs) bands (ev): -7.9834 -7.9834 5.6034 5.6034 5.9644 5.9644 6.0528 6.0528 7.8177 7.8177 7.9582 7.9582 8.0620 8.0620 8.1439 8.1439 8.2868 8.2868 11.1217 11.1217 18.8030 18.8030 19.1463 19.1463 19.1814 19.1814 k = 0.0781-0.0451 0.0638 ( 1046 PWs) bands (ev): -7.9704 -7.9704 5.5092 5.5092 5.9361 5.9361 6.0262 6.0262 7.8172 7.8172 7.9834 7.9834 8.0620 8.0620 8.1639 8.1639 8.3229 8.3229 11.2207 11.2207 18.7224 18.7224 19.1349 19.1349 19.1718 19.1718 k = 0.0859-0.0496 0.0702 ( 1046 PWs) bands (ev): -7.9562 -7.9562 5.4116 5.4116 5.9067 5.9067 5.9980 5.9980 7.8160 7.8160 8.0089 8.0089 8.0620 8.0620 8.1850 8.1850 8.3587 8.3587 11.3275 11.3275 18.6388 18.6388 19.1238 19.1238 19.1629 19.1629 k = 0.0938-0.0541 0.0765 ( 1054 PWs) bands (ev): -7.9407 -7.9407 5.3114 5.3114 5.8763 5.8763 5.9682 5.9682 7.8139 7.8139 8.0346 8.0346 8.0620 8.0620 8.2071 8.2071 8.3935 8.3935 11.4412 11.4412 18.5531 18.5531 19.1129 19.1129 19.1548 19.1548 k = 0.1016-0.0586 0.0829 ( 1054 PWs) bands (ev): -7.9240 -7.9240 5.2097 5.2097 5.8448 5.8448 5.9371 5.9371 7.8112 7.8112 8.0607 8.0607 8.0623 8.0623 8.2303 8.2303 8.4274 8.4274 11.5610 11.5610 18.4660 18.4660 19.1012 19.1012 19.1480 19.1480 k = 0.1094-0.0631 0.0893 ( 1046 PWs) bands (ev): -7.9061 -7.9061 5.1070 5.1070 5.8124 5.8124 5.9050 5.9050 7.8078 7.8078 8.0628 8.0628 8.0871 8.0871 8.2544 8.2544 8.4600 8.4600 11.6861 11.6861 18.3780 18.3780 19.0715 19.0715 19.1428 19.1428 k = 0.1172-0.0677 0.0957 ( 1046 PWs) bands (ev): -7.8871 -7.8871 5.0038 5.0038 5.7793 5.7793 5.8721 5.8721 7.8035 7.8035 8.0636 8.0636 8.1133 8.1133 8.2788 8.2788 8.4914 8.4914 11.8155 11.8155 18.2896 18.2896 18.8879 18.8879 19.1070 19.1070 k = 0.1250-0.0722 0.1021 ( 1054 PWs) bands (ev): -7.8669 -7.8669 4.9008 4.9008 5.7455 5.7455 5.8384 5.8384 7.7984 7.7984 8.0645 8.0645 8.1391 8.1391 8.3032 8.3032 8.5215 8.5215 11.9484 11.9484 18.2013 18.2013 18.6537 18.6537 19.0989 19.0989 k = 0.1328-0.0767 0.1084 ( 1054 PWs) bands (ev): -7.8457 -7.8457 4.7982 4.7982 5.7113 5.7113 5.8041 5.8041 7.7926 7.7926 8.0658 8.0658 8.1648 8.1648 8.3278 8.3278 8.5503 8.5503 12.0835 12.0835 18.1134 18.1134 18.4207 18.4207 19.0969 19.0969 k = 0.1406-0.0812 0.1148 ( 1054 PWs) bands (ev): -7.8235 -7.8235 4.6964 4.6964 5.6767 5.6767 5.7695 5.7695 7.7860 7.7860 8.0674 8.0674 8.1900 8.1900 8.3523 8.3523 8.5780 8.5780 12.2199 12.2199 18.0262 18.0262 18.1924 18.1924 19.0985 19.0985 k = 0.1484-0.0857 0.1212 ( 1054 PWs) bands (ev): -7.8003 -7.8003 4.5957 4.5957 5.6419 5.6419 5.7346 5.7346 7.7788 7.7788 8.0694 8.0694 8.2147 8.2147 8.3765 8.3765 8.6046 8.6046 12.3562 12.3562 17.9399 17.9399 17.9704 17.9704 19.1034 19.1034 k = 0.1562-0.0902 0.1276 ( 1050 PWs) bands (ev): -7.7761 -7.7761 4.4965 4.4965 5.6070 5.6070 5.6995 5.6995 7.7709 7.7709 8.0717 8.0717 8.2387 8.2387 8.4003 8.4003 8.6301 8.6301 12.4912 12.4912 17.7561 17.7561 17.8548 17.8548 19.1117 19.1117 k = 0.1641-0.0947 0.1340 ( 1050 PWs) bands (ev): -7.7511 -7.7511 4.3988 4.3988 5.5720 5.5720 5.6644 5.6644 7.7624 7.7624 8.0743 8.0743 8.2619 8.2619 8.4233 8.4233 8.6546 8.6546 12.6231 12.6231 17.5507 17.5507 17.7710 17.7710 19.1233 19.1233 k = 0.1719-0.0992 0.1403 ( 1050 PWs) bands (ev): -7.7253 -7.7253 4.3030 4.3030 5.5371 5.5371 5.6294 5.6294 7.7534 7.7534 8.0773 8.0773 8.2842 8.2842 8.4456 8.4456 8.6780 8.6780 12.7502 12.7502 17.3561 17.3561 17.6887 17.6887 19.1386 19.1386 k = 0.1797-0.1037 0.1467 ( 1054 PWs) bands (ev): -7.6987 -7.6987 4.2090 4.2090 5.5024 5.5024 5.5946 5.5946 7.7438 7.7438 8.0805 8.0805 8.3056 8.3056 8.4671 8.4671 8.7006 8.7006 12.8703 12.8703 17.1741 17.1741 17.6080 17.6080 19.1576 19.1576 k = 0.1875-0.1083 0.1531 ( 1054 PWs) bands (ev): -7.6713 -7.6713 4.1172 4.1172 5.4680 5.4680 5.5600 5.5600 7.7336 7.7336 8.0839 8.0839 8.3260 8.3260 8.4877 8.4877 8.7224 8.7224 12.9810 12.9810 17.0071 17.0071 17.5290 17.5290 19.1804 19.1804 k = 0.1953-0.1128 0.1595 ( 1054 PWs) bands (ev): -7.6434 -7.6434 4.0278 4.0278 5.4339 5.4339 5.5258 5.5258 7.7230 7.7230 8.0875 8.0875 8.3454 8.3454 8.5073 8.5073 8.7434 8.7434 13.0793 13.0793 16.8578 16.8578 17.4518 17.4518 19.2071 19.2071 k = 0.2031-0.1173 0.1659 ( 1054 PWs) bands (ev): -7.6148 -7.6148 3.9407 3.9407 5.4002 5.4002 5.4919 5.4919 7.7119 7.7119 8.0914 8.0914 8.3637 8.3637 8.5258 8.5258 8.7636 8.7636 13.1622 13.1622 16.7292 16.7292 17.3765 17.3765 19.2379 19.2379 k = 0.2109-0.1218 0.1722 ( 1054 PWs) bands (ev): -7.5857 -7.5857 3.8561 3.8561 5.3670 5.3670 5.4586 5.4586 7.7005 7.7005 8.0955 8.0955 8.3808 8.3808 8.5432 8.5432 8.7830 8.7830 13.2263 13.2263 16.6243 16.6243 17.3031 17.3031 19.2728 19.2728 k = 0.2188-0.1263 0.1786 ( 1062 PWs) bands (ev): -7.5562 -7.5562 3.7742 3.7742 5.3342 5.3342 5.4257 5.4257 7.6887 7.6887 8.0996 8.0996 8.3966 8.3966 8.5593 8.5593 8.8016 8.8016 13.2688 13.2688 16.5462 16.5462 17.2317 17.2317 19.3118 19.3118 k = 0.2266-0.1308 0.1850 ( 1062 PWs) bands (ev): -7.5263 -7.5263 3.6949 3.6949 5.3021 5.3021 5.3934 5.3934 7.6766 7.6766 8.1040 8.1040 8.4115 8.4115 8.5744 8.5744 8.8194 8.8194 13.2871 13.2871 16.4970 16.4970 17.1623 17.1623 19.3550 19.3550 k = 0.2344-0.1353 0.1914 ( 1062 PWs) bands (ev): -7.4960 -7.4960 3.6184 3.6184 5.2706 5.2706 5.3618 5.3618 7.6644 7.6644 8.1086 8.1086 8.4251 8.4251 8.5883 8.5883 8.8364 8.8364 13.2803 13.2803 16.4777 16.4777 17.0949 17.0949 19.4024 19.4024 k = 0.2422-0.1398 0.1977 ( 1062 PWs) bands (ev): -7.4655 -7.4655 3.5446 3.5446 5.2397 5.2397 5.3308 5.3308 7.6519 7.6519 8.1132 8.1132 8.4376 8.4376 8.6011 8.6011 8.8526 8.8526 13.2486 13.2486 16.4879 16.4879 17.0296 17.0296 19.4540 19.4540 k = 0.2500-0.1443 0.2041 ( 1062 PWs) bands (ev): -7.4349 -7.4349 3.4738 3.4738 5.2095 5.2095 5.3005 5.3005 7.6393 7.6393 8.1179 8.1179 8.4489 8.4489 8.6126 8.6126 8.8679 8.8679 13.1938 13.1938 16.5258 16.5258 16.9664 16.9664 19.5098 19.5098 k = 0.2578-0.1488 0.2105 ( 1062 PWs) bands (ev): -7.4041 -7.4041 3.4058 3.4058 5.1801 5.1801 5.2710 5.2710 7.6266 7.6266 8.1227 8.1227 8.4591 8.4591 8.6230 8.6230 8.8823 8.8823 13.1187 13.1187 16.5883 16.5883 16.9053 16.9053 19.5697 19.5697 k = 0.2656-0.1534 0.2169 ( 1062 PWs) bands (ev): -7.3734 -7.3734 3.3407 3.3407 5.1514 5.1514 5.2422 5.2422 7.6138 7.6138 8.1276 8.1276 8.4681 8.4681 8.6323 8.6323 8.8958 8.8958 13.0268 13.0268 16.6720 16.6720 16.8462 16.8462 19.6338 19.6338 k = 0.2734-0.1579 0.2233 ( 1054 PWs) bands (ev): -7.3426 -7.3426 3.2788 3.2788 5.1235 5.1235 5.2143 5.2143 7.6010 7.6010 8.1325 8.1325 8.4761 8.4761 8.6405 8.6405 8.9086 8.9086 12.9216 12.9216 16.7733 16.7733 16.7893 16.7893 19.7019 19.7019 k = 0.2812-0.1624 0.2296 ( 1054 PWs) bands (ev): -7.3121 -7.3121 3.2197 3.2197 5.0964 5.0964 5.1871 5.1871 7.5882 7.5882 8.1374 8.1374 8.4830 8.4830 8.6476 8.6476 8.9201 8.9201 12.8064 12.8064 16.7345 16.7345 16.8887 16.8887 19.7741 19.7741 k = 0.2891-0.1669 0.2360 ( 1054 PWs) bands (ev): -7.2817 -7.2817 3.1635 3.1635 5.0702 5.0702 5.1608 5.1608 7.5755 7.5755 8.1422 8.1422 8.4888 8.4888 8.6537 8.6537 8.9304 8.9304 12.6842 12.6842 16.6817 16.6817 17.0152 17.0152 19.8502 19.8502 k = 0.2969-0.1714 0.2424 ( 1046 PWs) bands (ev): -7.2516 -7.2516 3.1103 3.1103 5.0449 5.0449 5.1354 5.1354 7.5631 7.5631 8.1472 8.1472 8.4938 8.4938 8.6589 8.6589 8.9397 8.9397 12.5573 12.5573 16.6311 16.6311 17.1503 17.1503 19.9301 19.9301 k = 0.3047-0.1759 0.2488 ( 1050 PWs) bands (ev): -7.2219 -7.2219 3.0601 3.0601 5.0204 5.0204 5.1109 5.1109 7.5505 7.5505 8.1520 8.1520 8.4975 8.4975 8.6630 8.6630 8.9476 8.9476 12.4279 12.4279 16.5825 16.5825 17.2918 17.2918 20.0137 20.0137 k = 0.3125-0.1804 0.2552 ( 1050 PWs) bands (ev): -7.1926 -7.1926 3.0128 3.0128 4.9968 4.9968 5.0872 5.0872 7.5382 7.5382 8.1568 8.1568 8.5005 8.5005 8.6664 8.6664 8.9543 8.9543 12.2977 12.2977 16.5360 16.5360 17.4379 17.4379 20.1009 20.1009 k = 0.3203-0.1849 0.2615 ( 1058 PWs) bands (ev): -7.1639 -7.1639 2.9683 2.9683 4.9740 4.9740 5.0645 5.0645 7.5260 7.5260 8.1611 8.1611 8.5025 8.5025 8.6688 8.6688 8.9595 8.9595 12.1682 12.1682 16.4915 16.4915 17.5870 17.5870 20.1916 20.1916 k = 0.3281-0.1894 0.2679 ( 1058 PWs) bands (ev): -7.1357 -7.1357 2.9268 2.9268 4.9522 4.9522 5.0426 5.0426 7.5142 7.5142 8.1657 8.1657 8.5039 8.5039 8.6706 8.6706 8.9634 8.9634 12.0405 12.0405 16.4491 16.4491 17.7377 17.7377 20.2856 20.2856 k = 0.3359-0.1940 0.2743 ( 1058 PWs) bands (ev): -7.1082 -7.1082 2.8880 2.8880 4.9314 4.9314 5.0218 5.0218 7.5026 7.5026 8.1702 8.1702 8.5045 8.5045 8.6718 8.6718 8.9657 8.9657 11.9156 11.9156 16.4087 16.4087 17.8890 17.8890 20.3828 20.3828 k = 0.3438-0.1985 0.2807 ( 1058 PWs) bands (ev): -7.0814 -7.0814 2.8520 2.8520 4.9115 4.9115 5.0018 5.0018 7.4913 7.4913 8.1745 8.1745 8.5044 8.5044 8.6724 8.6724 8.9665 8.9665 11.7944 11.7944 16.3704 16.3704 18.0398 18.0398 20.4829 20.4829 k = 0.3516-0.2030 0.2870 ( 1058 PWs) bands (ev): -7.0555 -7.0555 2.8187 2.8187 4.8925 4.8925 4.9828 4.9828 7.4804 7.4804 8.1788 8.1788 8.5037 8.5037 8.6724 8.6724 8.9657 8.9657 11.6776 11.6776 16.3340 16.3340 18.1893 18.1893 20.5858 20.5858 k = 0.3594-0.2075 0.2934 ( 1058 PWs) bands (ev): -7.0305 -7.0305 2.7879 2.7879 4.8745 4.8745 4.9648 4.9648 7.4698 7.4698 8.1828 8.1828 8.5024 8.5024 8.6720 8.6720 8.9632 8.9632 11.5658 11.5658 16.2996 16.2996 18.3365 18.3365 20.6912 20.6912 k = 0.3672-0.2120 0.2998 ( 1058 PWs) bands (ev): -7.0063 -7.0063 2.7597 2.7597 4.8574 4.8574 4.9477 4.9477 7.4596 7.4596 8.1868 8.1868 8.5007 8.5007 8.6711 8.6711 8.9592 8.9592 11.4595 11.4595 16.2672 16.2672 18.4808 18.4808 20.7988 20.7988 k = 0.3750-0.2165 0.3062 ( 1058 PWs) bands (ev): -6.9833 -6.9833 2.7339 2.7339 4.8413 4.8413 4.9316 4.9316 7.4499 7.4499 8.1905 8.1905 8.4984 8.4984 8.6700 8.6700 8.9536 8.9536 11.3591 11.3591 16.2367 16.2367 18.6214 18.6214 20.9085 20.9085 k = 0.3828-0.2210 0.3126 ( 1054 PWs) bands (ev): -6.9612 -6.9612 2.7105 2.7105 4.8262 4.8262 4.9165 4.9165 7.4408 7.4408 8.1941 8.1941 8.4958 8.4958 8.6685 8.6685 8.9465 8.9465 11.2650 11.2650 16.2082 16.2082 18.7577 18.7577 21.0197 21.0198 k = 0.3906-0.2255 0.3189 ( 1058 PWs) bands (ev): -6.9404 -6.9404 2.6892 2.6892 4.8120 4.8120 4.9023 4.9023 7.4320 7.4320 8.1975 8.1975 8.4928 8.4928 8.6668 8.6668 8.9378 8.9378 11.1773 11.1773 16.1816 16.1816 18.8889 18.8889 21.1322 21.1322 k = 0.3984-0.2300 0.3253 ( 1058 PWs) bands (ev): -6.9207 -6.9207 2.6701 2.6701 4.7988 4.7988 4.8891 4.8891 7.4237 7.4237 8.2006 8.2006 8.4896 8.4896 8.6650 8.6650 8.9280 8.9280 11.0963 11.0963 16.1569 16.1569 19.0145 19.0145 21.2455 21.2455 k = 0.4062-0.2345 0.3317 ( 1066 PWs) bands (ev): -6.9022 -6.9022 2.6530 2.6530 4.7866 4.7866 4.8769 4.8769 7.4159 7.4159 8.2036 8.2036 8.4859 8.4859 8.6629 8.6629 8.9171 8.9171 11.0221 11.0221 16.1341 16.1341 19.1339 19.1339 21.3591 21.3591 k = 0.4141-0.2391 0.3381 ( 1066 PWs) bands (ev): -6.8851 -6.8851 2.6379 2.6379 4.7753 4.7753 4.8656 4.8656 7.4086 7.4086 8.2064 8.2064 8.4823 8.4823 8.6610 8.6610 8.9055 8.9055 10.9547 10.9547 16.1131 16.1131 19.2463 19.2463 21.4723 21.4723 k = 0.4219-0.2436 0.3445 ( 1066 PWs) bands (ev): -6.8692 -6.8692 2.6245 2.6245 4.7651 4.7651 4.8554 4.8554 7.4020 7.4020 8.2089 8.2089 8.4786 8.4786 8.6590 8.6590 8.8934 8.8934 10.8940 10.8940 16.0941 16.0941 19.3513 19.3513 21.5843 21.5844 k = 0.4297-0.2481 0.3508 ( 1066 PWs) bands (ev): -6.8548 -6.8548 2.6128 2.6128 4.7558 4.7558 4.8461 4.8461 7.3959 7.3959 8.2112 8.2112 8.4748 8.4748 8.6571 8.6571 8.8811 8.8811 10.8400 10.8400 16.0768 16.0768 19.4483 19.4483 21.6943 21.6943 k = 0.4375-0.2526 0.3572 ( 1066 PWs) bands (ev): -6.8418 -6.8418 2.6026 2.6026 4.7474 4.7474 4.8378 4.8378 7.3904 7.3904 8.2133 8.2133 8.4711 8.4711 8.6553 8.6553 8.8690 8.8690 10.7924 10.7924 16.0615 16.0615 19.5368 19.5368 21.8011 21.8011 k = 0.4453-0.2571 0.3636 ( 1066 PWs) bands (ev): -6.8302 -6.8302 2.5940 2.5940 4.7401 4.7401 4.8304 4.8304 7.3855 7.3855 8.2152 8.2152 8.4676 8.4676 8.6536 8.6536 8.8573 8.8573 10.7511 10.7511 16.0479 16.0479 19.6162 19.6162 21.9034 21.9034 k = 0.4531-0.2616 0.3700 ( 1066 PWs) bands (ev): -6.8201 -6.8201 2.5867 2.5867 4.7338 4.7338 4.8241 4.8241 7.3813 7.3813 8.2168 8.2168 8.4642 8.4642 8.6521 8.6521 8.8465 8.8465 10.7158 10.7158 16.0362 16.0362 19.6860 19.6860 21.9994 21.9994 k = 0.4609-0.2661 0.3764 ( 1066 PWs) bands (ev): -6.8115 -6.8115 2.5806 2.5806 4.7284 4.7284 4.8187 4.8187 7.3776 7.3776 8.2182 8.2182 8.4612 8.4612 8.6507 8.6507 8.8367 8.8367 10.6865 10.6865 16.0263 16.0263 19.7459 19.7459 22.0871 22.0871 k = 0.4688-0.2706 0.3827 ( 1066 PWs) bands (ev): -6.8044 -6.8044 2.5758 2.5758 4.7240 4.7240 4.8143 4.8143 7.3747 7.3747 8.2193 8.2193 8.4586 8.4586 8.6496 8.6496 8.8284 8.8284 10.6628 10.6628 16.0182 16.0182 19.7955 19.7955 22.1643 22.1643 k = 0.4766-0.2751 0.3891 ( 1066 PWs) bands (ev): -6.7989 -6.7989 2.5722 2.5722 4.7206 4.7206 4.8109 4.8109 7.3723 7.3723 8.2202 8.2202 8.4564 8.4564 8.6487 8.6487 8.8216 8.8216 10.6446 10.6446 16.0119 16.0119 19.8344 19.8344 22.2283 22.2283 k = 0.4844-0.2797 0.3955 ( 1074 PWs) bands (ev): -6.7950 -6.7950 2.5696 2.5696 4.7181 4.7181 4.8084 4.8084 7.3703 7.3703 8.2205 8.2205 8.4548 8.4548 8.6480 8.6480 8.8167 8.8167 10.6317 10.6317 16.0074 16.0074 19.8623 19.8623 22.2765 22.2765 k = 0.4922-0.2842 0.4019 ( 1074 PWs) bands (ev): -6.7926 -6.7926 2.5681 2.5681 4.7166 4.7166 4.8070 4.8070 7.3693 7.3693 8.2209 8.2209 8.4538 8.4538 8.6476 8.6476 8.8137 8.8137 10.6240 10.6240 16.0047 16.0047 19.8792 19.8792 22.3066 22.3066 k = 0.5000-0.2887 0.4082 ( 1090 PWs) bands (ev): -6.7919 -6.7919 2.5675 2.5675 4.7161 4.7161 4.8065 4.8065 7.3688 7.3688 8.2210 8.2210 8.4531 8.4531 8.6471 8.6471 8.8124 8.8124 10.6215 10.6215 16.0038 16.0038 19.8848 19.8848 22.3168 22.3168 k = 0.5000-0.2887 0.4082 ( 1090 PWs) bands (ev): -6.7919 -6.7919 2.5675 2.5675 4.7161 4.7161 4.8065 4.8065 7.3688 7.3688 8.2210 8.2210 8.4531 8.4531 8.6471 8.6471 8.8124 8.8124 10.6215 10.6215 16.0038 16.0038 19.8848 19.8848 22.3168 22.3168 k = 0.5000-0.2797 0.4146 ( 1068 PWs) bands (ev): -6.7917 -6.7917 2.5684 2.5684 4.7135 4.7135 4.8037 4.8037 7.3716 7.3716 8.2228 8.2228 8.4534 8.4534 8.6475 8.6475 8.8127 8.8127 10.6260 10.6260 16.0049 16.0049 19.8804 19.8804 22.3050 22.3050 k = 0.5000-0.2706 0.4210 ( 1064 PWs) bands (ev): -6.7913 -6.7913 2.5709 2.5709 4.7055 4.7055 4.7952 4.7952 7.3785 7.3785 8.2274 8.2274 8.4535 8.4535 8.6476 8.6476 8.8129 8.8129 10.6397 10.6397 16.0082 16.0082 19.8673 19.8673 22.2599 22.2599 k = 0.5000-0.2616 0.4274 ( 1064 PWs) bands (ev): -6.7907 -6.7907 2.5751 2.5751 4.6924 4.6924 4.7814 4.7814 7.3898 7.3898 8.2350 8.2350 8.4534 8.4534 8.6476 8.6476 8.8129 8.8129 10.6624 10.6624 16.0136 16.0136 19.8456 19.8456 22.1692 22.1692 k = 0.5000-0.2526 0.4338 ( 1064 PWs) bands (ev): -6.7899 -6.7899 2.5810 2.5810 4.6743 4.6743 4.7624 4.7624 7.4053 7.4053 8.2453 8.2453 8.4533 8.4533 8.6477 8.6477 8.8128 8.8128 10.6942 10.6942 16.0213 16.0213 19.8155 19.8155 22.0388 22.0388 k = 0.5000-0.2436 0.4401 ( 1068 PWs) bands (ev): -6.7888 -6.7888 2.5886 2.5886 4.6516 4.6516 4.7385 4.7385 7.4246 7.4246 8.2578 8.2578 8.4532 8.4532 8.6479 8.6479 8.8127 8.8127 10.7351 10.7351 16.0312 16.0312 19.7773 19.7773 21.8807 21.8807 k = 0.5000-0.2345 0.4465 ( 1068 PWs) bands (ev): -6.7875 -6.7875 2.5978 2.5978 4.6245 4.6245 4.7101 4.7101 7.4478 7.4478 8.2723 8.2723 8.4531 8.4531 8.6480 8.6480 8.8126 8.8126 10.7849 10.7849 16.0434 16.0434 19.7314 19.7314 21.7032 21.7032 k = 0.5000-0.2255 0.4529 ( 1068 PWs) bands (ev): -6.7860 -6.7860 2.6087 2.6087 4.5935 4.5935 4.6777 4.6777 7.4742 7.4742 8.2882 8.2882 8.4529 8.4529 8.6482 8.6482 8.8123 8.8123 10.8435 10.8435 16.0579 16.0579 19.6783 19.6783 21.5121 21.5122 k = 0.5000-0.2165 0.4593 ( 1068 PWs) bands (ev): -6.7843 -6.7843 2.6212 2.6212 4.5590 4.5590 4.6417 4.6417 7.5036 7.5036 8.3052 8.3052 8.4527 8.4527 8.6483 8.6483 8.8119 8.8119 10.9109 10.9109 16.0749 16.0749 19.6183 19.6183 21.3111 21.3111 k = 0.5000-0.2075 0.4657 ( 1068 PWs) bands (ev): -6.7824 -6.7824 2.6354 2.6354 4.5216 4.5216 4.6026 4.6026 7.5356 7.5356 8.3229 8.3229 8.4524 8.4524 8.6485 8.6485 8.8114 8.8114 10.9867 10.9867 16.0943 16.0943 19.5520 19.5520 21.1027 21.1027 k = 0.5000-0.1985 0.4720 ( 1068 PWs) bands (ev): -6.7804 -6.7804 2.6513 2.6513 4.4815 4.4815 4.5607 4.5607 7.5697 7.5697 8.3407 8.3407 8.4522 8.4522 8.6487 8.6487 8.8106 8.8106 11.0707 11.0707 16.1163 16.1163 19.4799 19.4799 20.8890 20.8890 k = 0.5000-0.1894 0.4784 ( 1064 PWs) bands (ev): -6.7782 -6.7782 2.6688 2.6688 4.4393 4.4393 4.5167 4.5167 7.6055 7.6055 8.3586 8.3586 8.4521 8.4521 8.6490 8.6490 8.8097 8.8097 11.1626 11.1626 16.1409 16.1409 19.4025 19.4025 20.6714 20.6714 k = 0.5000-0.1804 0.4848 ( 1064 PWs) bands (ev): -6.7759 -6.7759 2.6879 2.6879 4.3954 4.3954 4.4708 4.4708 7.6428 7.6428 8.3757 8.3757 8.4520 8.4520 8.6492 8.6492 8.8085 8.8085 11.2620 11.2620 16.1682 16.1682 19.3203 19.3203 20.4512 20.4512 k = 0.5000-0.1714 0.4912 ( 1068 PWs) bands (ev): -6.7735 -6.7735 2.7087 2.7087 4.3501 4.3501 4.4235 4.4235 7.6810 7.6810 8.3917 8.3917 8.4523 8.4523 8.6494 8.6494 8.8068 8.8068 11.3685 11.3685 16.1983 16.1983 19.2339 19.2339 20.2293 20.2293 k = 0.5000-0.1624 0.4976 ( 1066 PWs) bands (ev): -6.7710 -6.7710 2.7310 2.7310 4.3038 4.3038 4.3754 4.3754 7.7201 7.7201 8.4061 8.4061 8.4535 8.4535 8.6497 8.6497 8.8050 8.8050 11.4815 11.4815 16.2312 16.2312 19.1438 19.1438 20.0066 20.0066 k = 0.5000-0.1534 0.5039 ( 1066 PWs) bands (ev): -6.7685 -6.7685 2.7549 2.7549 4.2566 4.2566 4.3270 4.3270 7.7595 7.7595 8.4176 8.4176 8.4566 8.4566 8.6501 8.6501 8.8028 8.8028 11.6004 11.6004 16.2671 16.2671 19.0504 19.0504 19.7840 19.7840 k = 0.5000-0.1443 0.5103 ( 1070 PWs) bands (ev): -6.7659 -6.7659 2.7805 2.7805 4.2085 4.2085 4.2789 4.2789 7.7988 7.7988 8.4247 8.4247 8.4628 8.4628 8.6505 8.6505 8.8002 8.8002 11.7246 11.7246 16.3060 16.3060 18.9543 18.9543 19.5622 19.5622 k = 0.5000-0.1353 0.5167 ( 1070 PWs) bands (ev): -6.7634 -6.7634 2.8075 2.8075 4.1597 4.1597 4.2317 4.2317 7.8381 7.8381 8.4276 8.4276 8.4720 8.4720 8.6511 8.6511 8.7973 8.7973 11.8534 11.8534 16.3479 16.3479 18.8559 18.8559 19.3420 19.3420 k = 0.5000-0.1263 0.5231 ( 1076 PWs) bands (ev): -6.7609 -6.7609 2.8361 2.8361 4.1098 4.1098 4.1860 4.1860 7.8769 7.8769 8.4275 8.4275 8.4826 8.4826 8.6518 8.6518 8.7939 8.7939 11.9861 11.9861 16.3930 16.3930 18.7557 18.7557 19.1243 19.1243 k = 0.5000-0.1173 0.5294 ( 1076 PWs) bands (ev): -6.7584 -6.7584 2.8663 2.8663 4.0591 4.0591 4.1425 4.1425 7.9151 7.9151 8.4258 8.4258 8.4935 8.4935 8.6529 8.6529 8.7902 8.7902 12.1218 12.1218 16.4412 16.4412 18.6540 18.6540 18.9098 18.9098 k = 0.5000-0.1083 0.5358 ( 1068 PWs) bands (ev): -6.7559 -6.7559 2.8980 2.8980 4.0075 4.0075 4.1015 4.1015 7.9525 7.9525 8.4230 8.4230 8.5041 8.5041 8.6544 8.6544 8.7862 8.7862 12.2594 12.2594 16.4926 16.4926 18.5511 18.5511 18.6996 18.6996 k = 0.5000-0.0992 0.5422 ( 1068 PWs) bands (ev): -6.7536 -6.7536 2.9311 2.9311 3.9551 3.9551 4.0632 4.0632 7.9889 7.9889 8.4192 8.4192 8.5138 8.5138 8.6563 8.6563 8.7817 8.7817 12.3980 12.3980 16.5473 16.5473 18.4467 18.4467 18.4956 18.4956 k = 0.5000-0.0902 0.5486 ( 1064 PWs) bands (ev): -6.7514 -6.7514 2.9657 2.9657 3.9022 3.9022 4.0279 4.0279 8.0241 8.0241 8.4144 8.4144 8.5226 8.5226 8.6587 8.6587 8.7768 8.7768 12.5363 12.5363 16.6052 16.6052 18.2936 18.2936 18.3464 18.3464 k = 0.5000-0.0812 0.5550 ( 1064 PWs) bands (ev): -6.7493 -6.7493 3.0017 3.0017 3.8490 3.8490 3.9957 3.9957 8.0579 8.0579 8.4088 8.4088 8.5303 8.5303 8.6616 8.6616 8.7716 8.7716 12.6727 12.6727 16.6664 16.6664 18.1035 18.1035 18.2419 18.2419 k = 0.5000-0.0722 0.5613 ( 1064 PWs) bands (ev): -6.7474 -6.7474 3.0391 3.0391 3.7959 3.7959 3.9665 3.9665 8.0903 8.0903 8.4022 8.4022 8.5370 8.5370 8.6652 8.6652 8.7660 8.7660 12.8057 12.8057 16.7308 16.7308 17.9222 17.9222 18.1386 18.1386 k = 0.5000-0.0631 0.5677 ( 1060 PWs) bands (ev): -6.7457 -6.7457 3.0779 3.0779 3.7428 3.7428 3.9407 3.9407 8.1210 8.1210 8.3946 8.3946 8.5426 8.5426 8.6695 8.6695 8.7602 8.7602 12.9332 12.9332 16.7983 16.7983 17.7521 17.7521 18.0360 18.0360 k = 0.5000-0.0541 0.5741 ( 1062 PWs) bands (ev): -6.7441 -6.7441 3.1180 3.1180 3.6902 3.6902 3.9180 3.9180 8.1500 8.1500 8.3861 8.3861 8.5471 8.5471 8.6743 8.6743 8.7540 8.7540 13.0529 13.0529 16.8690 16.8690 17.5957 17.5957 17.9345 17.9345 k = 0.5000-0.0451 0.5805 ( 1062 PWs) bands (ev): -6.7428 -6.7428 3.1594 3.1594 3.6380 3.6380 3.8987 3.8987 8.1771 8.1771 8.3765 8.3765 8.5507 8.5507 8.6797 8.6797 8.7475 8.7475 13.1621 13.1621 16.9427 16.9427 17.4556 17.4556 17.8343 17.8343 k = 0.5000-0.0361 0.5869 ( 1062 PWs) bands (ev): -6.7417 -6.7417 3.2019 3.2019 3.5865 3.5865 3.8828 3.8828 8.2021 8.2021 8.3660 8.3660 8.5535 8.5535 8.6857 8.6857 8.7409 8.7409 13.2578 13.2578 17.0190 17.0190 17.3350 17.3350 17.7356 17.7356 k = 0.5000-0.0271 0.5932 ( 1062 PWs) bands (ev): -6.7408 -6.7408 3.2455 3.2455 3.5358 3.5358 3.8704 3.8704 8.2247 8.2247 8.3549 8.3549 8.5555 8.5555 8.6920 8.6920 8.7340 8.7340 13.3369 13.3369 17.0967 17.0967 17.2383 17.2383 17.6386 17.6386 k = 0.5000-0.0180 0.5996 ( 1062 PWs) bands (ev): -6.7402 -6.7402 3.2900 3.2900 3.4864 3.4864 3.8615 3.8615 8.2441 8.2441 8.3437 8.3437 8.5569 8.5569 8.6987 8.6987 8.7270 8.7270 13.3962 13.3962 17.1461 17.1461 17.1981 17.1981 17.5438 17.5438 k = 0.5000-0.0090 0.6060 ( 1056 PWs) bands (ev): -6.7398 -6.7398 3.3341 3.3341 3.4392 3.4392 3.8561 3.8561 8.2585 8.2585 8.3344 8.3344 8.5578 8.5578 8.7057 8.7057 8.7200 8.7200 13.4331 13.4331 17.1118 17.1118 17.2719 17.2719 17.4516 17.4516 k = 0.5000-0.0000 0.6124 ( 1048 PWs) bands (ev): -6.7396 -6.7396 3.3645 3.3645 3.4078 3.4078 3.8544 3.8544 8.2644 8.2644 8.3306 8.3306 8.5581 8.5581 8.7123 8.7123 8.7135 8.7135 13.4456 13.4456 17.0974 17.0974 17.3452 17.3452 17.3749 17.3749 k = 0.5000-0.0000 0.6124 ( 1048 PWs) bands (ev): -6.7396 -6.7396 3.3645 3.3645 3.4078 3.4078 3.8544 3.8544 8.2644 8.2644 8.3306 8.3306 8.5581 8.5581 8.7123 8.7123 8.7135 8.7135 13.4456 13.4456 17.0974 17.0974 17.3452 17.3452 17.3749 17.3749 k = 0.4946 0.0094 0.6124 ( 1056 PWs) bands (ev): -6.7399 -6.7399 3.3466 3.3466 3.4225 3.4225 3.8590 3.8590 8.2614 8.2614 8.3324 8.3324 8.5582 8.5582 8.7088 8.7088 8.7181 8.7181 13.4400 13.4400 17.0820 17.0820 17.3190 17.3190 17.4246 17.4246 k = 0.4891 0.0188 0.6124 ( 1065 PWs) bands (ev): -6.7405 -6.7405 3.3180 3.3180 3.4410 3.4410 3.8738 3.8738 8.2533 8.2533 8.3373 8.3373 8.5586 8.5586 8.7071 8.7071 8.7232 8.7232 13.4233 13.4233 17.0341 17.0341 17.3292 17.3292 17.4869 17.4869 k = 0.4837 0.0282 0.6124 ( 1065 PWs) bands (ev): -6.7414 -6.7414 3.2887 3.2887 3.4525 3.4525 3.8989 3.8989 8.2417 8.2417 8.3441 8.3441 8.5597 8.5597 8.7077 8.7077 8.7286 8.7286 13.3957 13.3957 16.9694 16.9694 17.3715 17.3715 17.5503 17.5503 k = 0.4783 0.0377 0.6124 ( 1065 PWs) bands (ev): -6.7426 -6.7426 3.2603 3.2603 3.4564 3.4564 3.9334 3.9334 8.2277 8.2277 8.3516 8.3516 8.5616 8.5616 8.7101 8.7101 8.7342 8.7342 13.3577 13.3577 16.9015 16.9015 17.4324 17.4324 17.6141 17.6141 k = 0.4728 0.0471 0.6124 ( 1065 PWs) bands (ev): -6.7441 -6.7441 3.2330 3.2330 3.4543 3.4543 3.9752 3.9752 8.2120 8.2120 8.3591 8.3591 8.5641 8.5641 8.7142 8.7142 8.7402 8.7402 13.3101 13.3101 16.8361 16.8361 17.5062 17.5062 17.6779 17.6779 k = 0.4674 0.0565 0.6124 ( 1065 PWs) bands (ev): -6.7457 -6.7457 3.2069 3.2069 3.4476 3.4476 4.0223 4.0223 8.1951 8.1951 8.3663 8.3663 8.5673 8.5673 8.7195 8.7195 8.7468 8.7468 13.2540 13.2540 16.7750 16.7750 17.5900 17.5900 17.7414 17.7414 k = 0.4620 0.0659 0.6124 ( 1065 PWs) bands (ev): -6.7476 -6.7476 3.1821 3.1821 3.4380 3.4380 4.0728 4.0728 8.1774 8.1774 8.3731 8.3731 8.5710 8.5710 8.7255 8.7255 8.7544 8.7544 13.1906 13.1906 16.7188 16.7188 17.6824 17.6824 17.8044 17.8044 k = 0.4565 0.0753 0.6124 ( 1069 PWs) bands (ev): -6.7495 -6.7495 3.1587 3.1587 3.4265 3.4265 4.1252 4.1252 8.1591 8.1591 8.3795 8.3795 8.5751 8.5751 8.7315 8.7315 8.7635 8.7635 13.1212 13.1212 16.6677 16.6677 17.7817 17.7817 17.8667 17.8667 k = 0.4511 0.0847 0.6124 ( 1067 PWs) bands (ev): -6.7515 -6.7515 3.1367 3.1367 3.4141 3.4141 4.1785 4.1785 8.1406 8.1406 8.3854 8.3854 8.5795 8.5795 8.7373 8.7373 8.7745 8.7745 13.0474 13.0474 16.6214 16.6214 17.8857 17.8857 17.9293 17.9293 k = 0.4457 0.0941 0.6124 ( 1067 PWs) bands (ev): -6.7536 -6.7536 3.1162 3.1162 3.4012 3.4012 4.2316 4.2316 8.1221 8.1221 8.3907 8.3907 8.5840 8.5840 8.7425 8.7425 8.7873 8.7873 12.9704 12.9704 16.5798 16.5798 17.9767 17.9767 18.0084 18.0084 k = 0.4402 0.1035 0.6124 ( 1067 PWs) bands (ev): -6.7556 -6.7556 3.0970 3.0970 3.3884 3.3884 4.2836 4.2836 8.1039 8.1039 8.3956 8.3956 8.5885 8.5885 8.7470 8.7470 8.8018 8.8018 12.8920 12.8920 16.5425 16.5425 18.0380 18.0380 18.1193 18.1193 k = 0.4348 0.1130 0.6124 ( 1069 PWs) bands (ev): -6.7576 -6.7576 3.0794 3.0794 3.3760 3.3760 4.3340 4.3340 8.0862 8.0862 8.3999 8.3999 8.5928 8.5928 8.7509 8.7509 8.8176 8.8176 12.8133 12.8133 16.5093 16.5093 18.0930 18.0930 18.2369 18.2369 k = 0.4293 0.1224 0.6124 ( 1068 PWs) bands (ev): -6.7596 -6.7596 3.0632 3.0632 3.3641 3.3641 4.3821 4.3821 8.0692 8.0692 8.4038 8.4038 8.5969 8.5969 8.7544 8.7544 8.8344 8.8344 12.7359 12.7359 16.4798 16.4798 18.1446 18.1446 18.3567 18.3567 k = 0.4239 0.1318 0.6124 ( 1069 PWs) bands (ev): -6.7614 -6.7614 3.0485 3.0485 3.3530 3.3530 4.4273 4.4273 8.0530 8.0530 8.4073 8.4073 8.6008 8.6008 8.7575 8.7575 8.8516 8.8516 12.6611 12.6611 16.4538 16.4538 18.1927 18.1927 18.4769 18.4769 k = 0.4185 0.1412 0.6124 ( 1067 PWs) bands (ev): -6.7632 -6.7632 3.0353 3.0353 3.3428 3.3428 4.4692 4.4692 8.0379 8.0379 8.4103 8.4103 8.6043 8.6043 8.7602 8.7602 8.8690 8.8690 12.5901 12.5901 16.4311 16.4311 18.2370 18.2370 18.5957 18.5957 k = 0.4130 0.1506 0.6124 ( 1069 PWs) bands (ev): -6.7648 -6.7648 3.0236 3.0236 3.3337 3.3337 4.5074 4.5074 8.0242 8.0242 8.4130 8.4130 8.6074 8.6074 8.7625 8.7625 8.8858 8.8858 12.5242 12.5242 16.4114 16.4114 18.2773 18.2773 18.7112 18.7112 k = 0.4076 0.1600 0.6124 ( 1069 PWs) bands (ev): -6.7662 -6.7662 3.0135 3.0135 3.3256 3.3256 4.5413 4.5413 8.0118 8.0118 8.4152 8.4152 8.6101 8.6101 8.7645 8.7645 8.9017 8.9017 12.4644 12.4644 16.3947 16.3947 18.3131 18.3131 18.8211 18.8211 k = 0.4022 0.1694 0.6124 ( 1069 PWs) bands (ev): -6.7674 -6.7674 3.0050 3.0050 3.3186 3.3186 4.5707 4.5707 8.0011 8.0011 8.4171 8.4171 8.6124 8.6124 8.7662 8.7662 8.9163 8.9163 12.4119 12.4119 16.3808 16.3808 18.3440 18.3440 18.9229 18.9229 k = 0.3967 0.1789 0.6124 ( 1067 PWs) bands (ev): -6.7685 -6.7685 2.9979 2.9979 3.3129 3.3129 4.5952 4.5952 7.9921 7.9921 8.4187 8.4187 8.6144 8.6144 8.7676 8.7676 8.9290 8.9290 12.3676 12.3676 16.3696 16.3696 18.3698 18.3698 19.0133 19.0133 k = 0.3913 0.1883 0.6124 ( 1065 PWs) bands (ev): -6.7693 -6.7693 2.9925 2.9925 3.3084 3.3084 4.6146 4.6146 7.9851 7.9851 8.4198 8.4198 8.6159 8.6159 8.7687 8.7687 8.9394 8.9394 12.3322 12.3322 16.3609 16.3609 18.3902 18.3902 19.0891 19.0891 k = 0.3859 0.1977 0.6124 ( 1065 PWs) bands (ev): -6.7699 -6.7699 2.9885 2.9885 3.3051 3.3051 4.6286 4.6286 7.9799 7.9799 8.4207 8.4207 8.6169 8.6169 8.7695 8.7695 8.9471 8.9471 12.3064 12.3064 16.3548 16.3548 18.4049 18.4049 19.1466 19.1466 k = 0.3804 0.2071 0.6124 ( 1065 PWs) bands (ev): -6.7702 -6.7702 2.9862 2.9862 3.3032 3.3032 4.6370 4.6370 7.9768 7.9768 8.4212 8.4212 8.6176 8.6176 8.7700 8.7700 8.9518 8.9518 12.2907 12.2907 16.3511 16.3511 18.4138 18.4138 19.1826 19.1826 k = 0.3750 0.2165 0.6124 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.3750 0.2165 0.6124 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.3695 0.2133 0.6034 ( 1067 PWs) bands (ev): -6.7722 -6.7722 3.0213 3.0213 3.2306 3.2306 4.6346 4.6346 8.0084 8.0084 8.4170 8.4170 8.6193 8.6193 8.7652 8.7652 9.0049 9.0049 12.3908 12.3908 16.3549 16.3549 18.3286 18.3286 19.0476 19.0476 k = 0.3640 0.2101 0.5944 ( 1069 PWs) bands (ev): -6.7748 -6.7748 3.0569 3.0569 3.1632 3.1632 4.6299 4.6299 8.0405 8.0405 8.4124 8.4124 8.6204 8.6204 8.7600 8.7600 9.0576 9.0576 12.4958 12.4958 16.3552 16.3552 18.2415 18.2415 18.9032 18.9032 k = 0.3585 0.2070 0.5854 ( 1069 PWs) bands (ev): -6.7782 -6.7782 3.0741 3.0741 3.1186 3.1186 4.6258 4.6258 8.0719 8.0719 8.4074 8.4074 8.6211 8.6211 8.7546 8.7546 9.1110 9.1110 12.6002 12.6002 16.3505 16.3505 18.1555 18.1555 18.7621 18.7621 k = 0.3529 0.2038 0.5764 ( 1069 PWs) bands (ev): -6.7823 -6.7823 3.0244 3.0244 3.1456 3.1456 4.6224 4.6224 8.1025 8.1025 8.4021 8.4021 8.6216 8.6216 8.7491 8.7491 9.1650 9.1650 12.7040 12.7040 16.3405 16.3405 18.0711 18.0711 18.6245 18.6245 k = 0.3474 0.2006 0.5673 ( 1069 PWs) bands (ev): -6.7873 -6.7873 2.9665 2.9665 3.1857 3.1857 4.6197 4.6197 8.1323 8.1323 8.3965 8.3965 8.6218 8.6218 8.7435 8.7435 9.2191 9.2191 12.8072 12.8072 16.3248 16.3248 17.9882 17.9882 18.4905 18.4905 k = 0.3419 0.1974 0.5583 ( 1069 PWs) bands (ev): -6.7932 -6.7932 2.9111 2.9111 3.2282 3.2282 4.6178 4.6178 8.1611 8.1611 8.3905 8.3905 8.6219 8.6219 8.7377 8.7377 9.2732 9.2732 12.9097 12.9097 16.3034 16.3034 17.9073 17.9073 18.3603 18.3603 k = 0.3364 0.1942 0.5493 ( 1073 PWs) bands (ev): -6.8001 -6.8001 2.8593 2.8593 3.2723 3.2723 4.6167 4.6167 8.1887 8.1887 8.3842 8.3842 8.6219 8.6219 8.7317 8.7317 9.3270 9.3270 13.0116 13.0116 16.2761 16.2761 17.8283 17.8283 18.2343 18.2343 k = 0.3309 0.1910 0.5403 ( 1073 PWs) bands (ev): -6.8080 -6.8080 2.8114 2.8114 3.3176 3.3176 4.6164 4.6164 8.2151 8.2151 8.3776 8.3776 8.6218 8.6218 8.7257 8.7257 9.3802 9.3802 13.1130 13.1130 16.2432 16.2432 17.7515 17.7515 18.1127 18.1127 k = 0.3254 0.1879 0.5313 ( 1069 PWs) bands (ev): -6.8169 -6.8169 2.7676 2.7676 3.3643 3.3643 4.6170 4.6170 8.2402 8.2402 8.3708 8.3708 8.6217 8.6217 8.7197 8.7197 9.4327 9.4327 13.2139 13.2139 16.2047 16.2047 17.6770 17.6770 17.9956 17.9956 k = 0.3199 0.1847 0.5223 ( 1069 PWs) bands (ev): -6.8269 -6.8269 2.7282 2.7282 3.4120 3.4120 4.6185 4.6185 8.2637 8.2637 8.3637 8.3637 8.6215 8.6215 8.7136 8.7136 9.4841 9.4841 13.3145 13.3145 16.1609 16.1609 17.6051 17.6051 17.8834 17.8834 k = 0.3143 0.1815 0.5133 ( 1069 PWs) bands (ev): -6.8381 -6.8381 2.6932 2.6932 3.4609 3.4609 4.6210 4.6210 8.2853 8.2853 8.3563 8.3563 8.6212 8.6212 8.7074 8.7074 9.5341 9.5341 13.4148 13.4148 16.1119 16.1119 17.5358 17.5358 17.7763 17.7763 k = 0.3088 0.1783 0.5043 ( 1069 PWs) bands (ev): -6.8503 -6.8503 2.6627 2.6627 3.5108 3.5108 4.6245 4.6245 8.3049 8.3049 8.3488 8.3488 8.6210 8.6210 8.7011 8.7011 9.5825 9.5825 13.5149 13.5149 16.0583 16.0583 17.4692 17.4692 17.6745 17.6745 k = 0.3033 0.1751 0.4953 ( 1069 PWs) bands (ev): -6.8638 -6.8638 2.6368 2.6368 3.5617 3.5617 4.6289 4.6289 8.3217 8.3217 8.3419 8.3419 8.6209 8.6209 8.6948 8.6948 9.6291 9.6291 13.6150 13.6150 16.0004 16.0004 17.4056 17.4056 17.5785 17.5785 k = 0.2978 0.1719 0.4863 ( 1069 PWs) bands (ev): -6.8784 -6.8784 2.6157 2.6157 3.6136 3.6136 4.6344 4.6344 8.3280 8.3280 8.3430 8.3430 8.6209 8.6209 8.6885 8.6885 9.6734 9.6734 13.7152 13.7152 15.9385 15.9385 17.3449 17.3449 17.4884 17.4884 k = 0.2923 0.1687 0.4773 ( 1073 PWs) bands (ev): -6.8941 -6.8941 2.5993 2.5993 3.6664 3.6664 4.6409 4.6409 8.3214 8.3214 8.3545 8.3545 8.6211 8.6211 8.6820 8.6820 9.7151 9.7151 13.8154 13.8154 15.8732 15.8732 17.2873 17.2873 17.4047 17.4047 k = 0.2868 0.1656 0.4683 ( 1073 PWs) bands (ev): -6.9110 -6.9110 2.5877 2.5877 3.7201 3.7201 4.6486 4.6486 8.3130 8.3130 8.3653 8.3653 8.6216 8.6216 8.6755 8.6755 9.7542 9.7542 13.9156 13.9156 15.8050 15.8050 17.2329 17.2329 17.3276 17.3276 k = 0.2812 0.1624 0.4593 ( 1073 PWs) bands (ev): -6.9291 -6.9291 2.5809 2.5809 3.7746 3.7746 4.6573 4.6573 8.3040 8.3040 8.3740 8.3740 8.6222 8.6222 8.6689 8.6689 9.7902 9.7902 14.0158 14.0158 15.7344 15.7344 17.1817 17.1817 17.2575 17.2575 k = 0.2757 0.1592 0.4503 ( 1071 PWs) bands (ev): -6.9483 -6.9483 2.5791 2.5791 3.8298 3.8298 4.6672 4.6672 8.2947 8.2947 8.3806 8.3806 8.6230 8.6230 8.6622 8.6622 9.8228 9.8228 14.1157 14.1157 15.6622 15.6622 17.1338 17.1338 17.1947 17.1947 k = 0.2702 0.1560 0.4413 ( 1067 PWs) bands (ev): -6.9687 -6.9687 2.5820 2.5820 3.8858 3.8858 4.6782 4.6782 8.2852 8.2852 8.3849 8.3849 8.6238 8.6238 8.6553 8.6553 9.8518 9.8518 14.2147 14.2147 15.5892 15.5892 17.0892 17.0892 17.1396 17.1396 k = 0.2647 0.1528 0.4323 ( 1067 PWs) bands (ev): -6.9901 -6.9901 2.5899 2.5899 3.9425 3.9425 4.6904 4.6904 8.2754 8.2754 8.3870 8.3870 8.6245 8.6245 8.6481 8.6481 9.8770 9.8770 14.3121 14.3121 15.5167 15.5167 17.0481 17.0481 17.0923 17.0923 k = 0.2592 0.1496 0.4233 ( 1069 PWs) bands (ev): -7.0126 -7.0126 2.6026 2.6026 3.9998 3.9998 4.7038 4.7038 8.2654 8.2654 8.3871 8.3871 8.6250 8.6250 8.6406 8.6406 9.8980 9.8980 14.4061 14.4061 15.4467 15.4467 17.0110 17.0110 17.0526 17.0526 k = 0.2537 0.1465 0.4143 ( 1065 PWs) bands (ev): -7.0361 -7.0361 2.6201 2.6201 4.0576 4.0576 4.7183 4.7183 8.2553 8.2553 8.3856 8.3856 8.6251 8.6251 8.6330 8.6330 9.9148 9.9148 14.4940 14.4940 15.3823 15.3823 16.9785 16.9785 17.0203 17.0203 k = 0.2482 0.1433 0.4052 ( 1065 PWs) bands (ev): -7.0605 -7.0605 2.6424 2.6424 4.1159 4.1159 4.7340 4.7340 8.2449 8.2449 8.3823 8.3823 8.6240 8.6240 8.6254 8.6254 9.9270 9.9270 14.5705 14.5705 15.3289 15.3289 16.9509 16.9509 16.9953 16.9953 k = 0.2426 0.1401 0.3962 ( 1065 PWs) bands (ev): -7.0858 -7.0858 2.6694 2.6694 4.1747 4.1747 4.7510 4.7510 8.2344 8.2344 8.3776 8.3776 8.6162 8.6162 8.6236 8.6236 9.9346 9.9346 14.6273 14.6273 15.2952 15.2952 16.9281 16.9281 16.9781 16.9781 k = 0.2371 0.1369 0.3872 ( 1069 PWs) bands (ev): -7.1120 -7.1120 2.7012 2.7012 4.2339 4.2339 4.7690 4.7690 8.2237 8.2237 8.3716 8.3716 8.6073 8.6073 8.6216 8.6216 9.9373 9.9373 14.6539 14.6539 15.2917 15.2917 16.9099 16.9099 16.9690 16.9690 k = 0.2316 0.1337 0.3782 ( 1069 PWs) bands (ev): -7.1390 -7.1390 2.7375 2.7375 4.2934 4.2934 4.7884 4.7884 8.2129 8.2129 8.3645 8.3645 8.5979 8.5979 8.6187 8.6187 9.9353 9.9353 14.6445 14.6445 15.3244 15.3244 16.8958 16.8958 16.9684 16.9684 k = 0.2261 0.1305 0.3692 ( 1065 PWs) bands (ev): -7.1667 -7.1667 2.7784 2.7784 4.3531 4.3531 4.8090 4.8090 8.2021 8.2021 8.3565 8.3565 8.5881 8.5881 8.6148 8.6148 9.9286 9.9286 14.6033 14.6033 15.3892 15.3892 16.8860 16.8860 16.9766 16.9766 k = 0.2206 0.1274 0.3602 ( 1065 PWs) bands (ev): -7.1950 -7.1950 2.8238 2.8238 4.4131 4.4131 4.8308 4.8308 8.1911 8.1911 8.3476 8.3476 8.5778 8.5778 8.6099 8.6099 9.9168 9.9168 14.5398 14.5398 15.4768 15.4768 16.8803 16.8803 16.9936 16.9936 k = 0.2151 0.1242 0.3512 ( 1069 PWs) bands (ev): -7.2239 -7.2239 2.8735 2.8735 4.4732 4.4732 4.8538 4.8538 8.1799 8.1799 8.3379 8.3379 8.5670 8.5670 8.6039 8.6039 9.9003 9.9003 14.4618 14.4618 15.5791 15.5791 16.8789 16.8789 17.0193 17.0193 k = 0.2096 0.1210 0.3422 ( 1069 PWs) bands (ev): -7.2533 -7.2533 2.9276 2.9276 4.5334 4.5334 4.8781 4.8781 8.1687 8.1687 8.3276 8.3276 8.5556 8.5556 8.5968 8.5968 9.8791 9.8791 14.3745 14.3745 15.6913 15.6913 16.8818 16.8818 17.0537 17.0537 k = 0.2040 0.1178 0.3332 ( 1069 PWs) bands (ev): -7.2831 -7.2831 2.9858 2.9858 4.5935 4.5935 4.9036 4.9036 8.1575 8.1575 8.3167 8.3167 8.5438 8.5438 8.5887 8.5887 9.8533 9.8533 14.2808 14.2808 15.8103 15.8103 16.8891 16.8891 17.0965 17.0965 k = 0.1985 0.1146 0.3242 ( 1069 PWs) bands (ev): -7.3132 -7.3132 3.0481 3.0481 4.6536 4.6536 4.9302 4.9302 8.1464 8.1464 8.3053 8.3053 8.5314 8.5314 8.5796 8.5796 9.8230 9.8230 14.1823 14.1823 15.9344 15.9344 16.9009 16.9009 17.1476 17.1476 k = 0.1930 0.1114 0.3152 ( 1065 PWs) bands (ev): -7.3436 -7.3436 3.1143 3.1143 4.7135 4.7135 4.9582 4.9582 8.1352 8.1352 8.2934 8.2934 8.5185 8.5185 8.5695 8.5695 9.7886 9.7886 14.0802 14.0802 16.0624 16.0624 16.9171 16.9171 17.2069 17.2069 k = 0.1875 0.1083 0.3062 ( 1065 PWs) bands (ev): -7.3741 -7.3741 3.1844 3.1844 4.7731 4.7731 4.9875 4.9875 8.1239 8.1239 8.2811 8.2811 8.5051 8.5051 8.5585 8.5585 9.7501 9.7501 13.9750 13.9750 16.1937 16.1937 16.9380 16.9380 17.2740 17.2740 k = 0.1820 0.1051 0.2972 ( 1065 PWs) bands (ev): -7.4047 -7.4047 3.2581 3.2581 4.8324 4.8324 5.0180 5.0180 8.1126 8.1126 8.2685 8.2685 8.4911 8.4911 8.5466 8.5466 9.7078 9.7078 13.8672 13.8672 16.3277 16.3277 16.9634 16.9634 17.3488 17.3488 k = 0.1765 0.1019 0.2882 ( 1065 PWs) bands (ev): -7.4354 -7.4354 3.3355 3.3355 4.8912 4.8912 5.0498 5.0498 8.1014 8.1014 8.2555 8.2555 8.4767 8.4767 8.5340 8.5340 9.6620 9.6620 13.7571 13.7571 16.4639 16.4639 16.9934 16.9934 17.4310 17.4310 k = 0.1710 0.0987 0.2792 ( 1065 PWs) bands (ev): -7.4660 -7.4660 3.4163 3.4163 4.9493 4.9493 5.0831 5.0831 8.0901 8.0901 8.2422 8.2422 8.4618 8.4618 8.5205 8.5205 9.6129 9.6129 13.6449 13.6449 16.6018 16.6018 17.0281 17.0281 17.5204 17.5204 k = 0.1654 0.0955 0.2702 ( 1065 PWs) bands (ev): -7.4964 -7.4964 3.5004 3.5004 5.0065 5.0065 5.1178 5.1178 8.0789 8.0789 8.2286 8.2286 8.4464 8.4464 8.5065 8.5065 9.5609 9.5609 13.5309 13.5309 16.7411 16.7411 17.0676 17.0676 17.6167 17.6167 k = 0.1599 0.0923 0.2612 ( 1065 PWs) bands (ev): -7.5266 -7.5266 3.5876 3.5876 5.0626 5.0626 5.1543 5.1543 8.0678 8.0678 8.2148 8.2148 8.4305 8.4305 8.4918 8.4918 9.5061 9.5061 13.4152 13.4152 16.8809 16.8809 17.1122 17.1122 17.7196 17.7196 k = 0.1544 0.0891 0.2522 ( 1065 PWs) bands (ev): -7.5565 -7.5565 3.6778 3.6778 5.1170 5.1170 5.1929 5.1929 8.0567 8.0567 8.2008 8.2008 8.4143 8.4143 8.4767 8.4767 9.4489 9.4489 13.2979 13.2979 17.0200 17.0200 17.1629 17.1629 17.8290 17.8290 k = 0.1489 0.0860 0.2431 ( 1059 PWs) bands (ev): -7.5860 -7.5860 3.7708 3.7708 5.1691 5.1691 5.2340 5.2340 8.0457 8.0457 8.1866 8.1866 8.3978 8.3978 8.4611 8.4611 9.3897 9.3897 13.1792 13.1792 17.1516 17.1516 17.2260 17.2260 17.9445 17.9445 k = 0.1434 0.0828 0.2341 ( 1053 PWs) bands (ev): -7.6151 -7.6151 3.8665 3.8665 5.2185 5.2185 5.2782 5.2782 8.0348 8.0348 8.1723 8.1723 8.3810 8.3810 8.4451 8.4451 9.3285 9.3285 13.0592 13.0592 17.2476 17.2476 17.3290 17.3290 18.0660 18.0660 k = 0.1379 0.0796 0.2251 ( 1053 PWs) bands (ev): -7.6437 -7.6437 3.9645 3.9645 5.2651 5.2651 5.3253 5.3253 8.0239 8.0239 8.1579 8.1579 8.3638 8.3638 8.4288 8.4288 9.2657 9.2657 12.9382 12.9382 17.3166 17.3166 17.4630 17.4630 18.1930 18.1930 k = 0.1324 0.0764 0.2161 ( 1053 PWs) bands (ev): -7.6717 -7.6717 4.0649 4.0649 5.3095 5.3095 5.3744 5.3744 8.0131 8.0131 8.1433 8.1433 8.3464 8.3464 8.4123 8.4123 9.2016 9.2016 12.8163 12.8163 17.3839 17.3839 17.6019 17.6019 18.3256 18.3256 k = 0.1268 0.0732 0.2071 ( 1053 PWs) bands (ev): -7.6990 -7.6990 4.1672 4.1672 5.3527 5.3527 5.4245 5.4245 8.0024 8.0024 8.1287 8.1287 8.3287 8.3287 8.3955 8.3955 9.1364 9.1364 12.6937 12.6937 17.4539 17.4539 17.7407 17.7407 18.4633 18.4633 k = 0.1213 0.0700 0.1981 ( 1051 PWs) bands (ev): -7.7256 -7.7256 4.2714 4.2714 5.3954 5.3954 5.4749 5.4749 7.9919 7.9919 8.1140 8.1140 8.3110 8.3110 8.3784 8.3784 9.0705 9.0705 12.5707 12.5707 17.5272 17.5272 17.8780 17.8780 18.6060 18.6060 k = 0.1158 0.0669 0.1891 ( 1051 PWs) bands (ev): -7.7515 -7.7515 4.3771 4.3771 5.4379 5.4379 5.5249 5.5249 7.9814 7.9814 8.0994 8.0994 8.2933 8.2933 8.3612 8.3612 9.0041 9.0041 12.4475 12.4475 17.6040 17.6040 18.0128 18.0128 18.7534 18.7534 k = 0.1103 0.0637 0.1801 ( 1051 PWs) bands (ev): -7.7765 -7.7765 4.4841 4.4841 5.4804 5.4804 5.5742 5.5742 7.9709 7.9709 8.0847 8.0847 8.2755 8.2755 8.3439 8.3439 8.9375 8.9375 12.3244 12.3244 17.6842 17.6842 18.1441 18.1441 18.9055 18.9055 k = 0.1048 0.0605 0.1711 ( 1045 PWs) bands (ev): -7.8006 -7.8006 4.5922 4.5922 5.5230 5.5230 5.6225 5.6225 7.9606 7.9606 8.0703 8.0703 8.2580 8.2580 8.3264 8.3264 8.8711 8.8711 12.2018 12.2018 17.7678 17.7678 18.2709 18.2709 19.0619 19.0619 k = 0.0993 0.0573 0.1621 ( 1049 PWs) bands (ev): -7.8239 -7.8239 4.7009 4.7009 5.5656 5.5656 5.6697 5.6697 7.9503 7.9503 8.0556 8.0556 8.2404 8.2404 8.3088 8.3088 8.8049 8.8049 12.0800 12.0800 17.8544 17.8544 18.3924 18.3924 19.2225 19.2225 k = 0.0938 0.0541 0.1531 ( 1049 PWs) bands (ev): -7.8461 -7.8461 4.8099 4.8099 5.6083 5.6083 5.7157 5.7157 7.9400 7.9400 8.0411 8.0411 8.2232 8.2232 8.2911 8.2911 8.7394 8.7394 11.9594 11.9594 17.9438 17.9438 18.5073 18.5073 19.3866 19.3866 k = 0.0882 0.0509 0.1441 ( 1043 PWs) bands (ev): -7.8673 -7.8673 4.9189 4.9189 5.6509 5.6509 5.7602 5.7602 7.9299 7.9299 8.0267 8.0267 8.2065 8.2065 8.2734 8.2734 8.6750 8.6750 11.8405 11.8405 18.0357 18.0357 18.6147 18.6147 19.4379 19.4379 k = 0.0827 0.0478 0.1351 ( 1053 PWs) bands (ev): -7.8874 -7.8874 5.0274 5.0274 5.6931 5.6931 5.8032 5.8032 7.9196 7.9196 8.0122 8.0122 8.1900 8.1900 8.2552 8.2552 8.6117 8.6117 11.7238 11.7238 18.1298 18.1298 18.7137 18.7137 19.4122 19.4122 k = 0.0772 0.0446 0.1261 ( 1053 PWs) bands (ev): -7.9064 -7.9064 5.1350 5.1350 5.7350 5.7350 5.8445 5.8445 7.9095 7.9095 7.9978 7.9978 8.1742 8.1742 8.2372 8.2372 8.5502 8.5502 11.6098 11.6098 18.2255 18.2255 18.8034 18.8034 19.3880 19.3880 k = 0.0717 0.0414 0.1171 ( 1045 PWs) bands (ev): -7.9243 -7.9243 5.2410 5.2410 5.7764 5.7764 5.8842 5.8842 7.8996 7.8996 7.9833 7.9833 8.1591 8.1591 8.2191 8.2191 8.4909 8.4909 11.4990 11.4990 18.3224 18.3224 18.8832 18.8832 19.3655 19.3655 k = 0.0662 0.0382 0.1081 ( 1045 PWs) bands (ev): -7.9410 -7.9410 5.3448 5.3448 5.8168 5.8168 5.9220 5.9220 7.8898 7.8898 7.9687 7.9687 8.1446 8.1446 8.2011 8.2011 8.4340 8.4340 11.3922 11.3922 18.4199 18.4199 18.9528 18.9528 19.3448 19.3448 k = 0.0607 0.0350 0.0991 ( 1047 PWs) bands (ev): -7.9564 -7.9564 5.4457 5.4457 5.8562 5.8562 5.9579 5.9579 7.8800 7.8800 7.9537 7.9537 8.1308 8.1308 8.1833 8.1833 8.3799 8.3799 11.2900 11.2900 18.5173 18.5173 19.0124 19.0124 19.3257 19.3257 k = 0.0551 0.0318 0.0901 ( 1047 PWs) bands (ev): -7.9706 -7.9706 5.5427 5.5427 5.8944 5.8944 5.9918 5.9918 7.8704 7.8704 7.9383 7.9383 8.1179 8.1179 8.1659 8.1659 8.3292 8.3292 11.1930 11.1930 18.6136 18.6136 19.0622 19.0622 19.3085 19.3085 k = 0.0496 0.0287 0.0810 ( 1045 PWs) bands (ev): -7.9836 -7.9836 5.6349 5.6349 5.9313 5.9313 6.0235 6.0235 7.8612 7.8612 7.9226 7.9226 8.1059 8.1059 8.1492 8.1492 8.2822 8.2822 11.1021 11.1021 18.7080 18.7080 19.1030 19.1030 19.2929 19.2929 k = 0.0441 0.0255 0.0720 ( 1049 PWs) bands (ev): -7.9952 -7.9952 5.7207 5.7207 5.9667 5.9667 6.0530 6.0530 7.8522 7.8522 7.9062 7.9062 8.0947 8.0947 8.1335 8.1335 8.2393 8.2393 11.0180 11.0180 18.7991 18.7991 19.1358 19.1358 19.2792 19.2792 k = 0.0386 0.0223 0.0630 ( 1057 PWs) bands (ev): -8.0056 -8.0056 5.7987 5.7987 6.0010 6.0010 6.0801 6.0801 7.8436 7.8436 7.8893 7.8893 8.0843 8.0843 8.1192 8.1192 8.2008 8.2008 10.9415 10.9415 18.8856 18.8856 19.1614 19.1614 19.2673 19.2673 k = 0.0331 0.0191 0.0540 ( 1063 PWs) bands (ev): -8.0145 -8.0145 5.8668 5.8668 6.0347 6.0347 6.1045 6.1045 7.8356 7.8356 7.8724 7.8724 8.0751 8.0751 8.1065 8.1065 8.1671 8.1671 10.8733 10.8733 18.9660 18.9660 19.1810 19.1810 19.2574 19.2574 k = 0.0276 0.0159 0.0450 ( 1063 PWs) bands (ev): -8.0222 -8.0222 5.9230 5.9230 6.0683 6.0683 6.1260 6.1260 7.8284 7.8284 7.8562 7.8562 8.0670 8.0670 8.0958 8.0958 8.1384 8.1384 10.8141 10.8141 19.0384 19.0384 19.1952 19.1952 19.2497 19.2497 k = 0.0221 0.0127 0.0360 ( 1065 PWs) bands (ev): -8.0284 -8.0284 5.9659 5.9659 6.1014 6.1014 6.1443 6.1443 7.8222 7.8222 7.8412 7.8412 8.0601 8.0601 8.0871 8.0871 8.1146 8.1146 10.7647 10.7647 19.1009 19.1009 19.2048 19.2048 19.2447 19.2447 k = 0.0165 0.0096 0.0270 ( 1067 PWs) bands (ev): -8.0333 -8.0333 5.9963 5.9963 6.1321 6.1321 6.1590 6.1590 7.8170 7.8170 7.8283 7.8283 8.0545 8.0545 8.0804 8.0804 8.0960 8.0960 10.7256 10.7256 19.1512 19.1512 19.2101 19.2101 19.2429 19.2429 k = 0.0110 0.0064 0.0180 ( 1067 PWs) bands (ev): -8.0368 -8.0368 6.0160 6.0160 6.1570 6.1570 6.1699 6.1699 7.8132 7.8132 7.8184 7.8184 8.0504 8.0504 8.0757 8.0757 8.0827 8.0827 10.6973 10.6973 19.1870 19.1870 19.2122 19.2122 19.2445 19.2445 k = 0.0055 0.0032 0.0090 ( 1067 PWs) bands (ev): -8.0389 -8.0389 6.0271 6.0271 6.1731 6.1731 6.1765 6.1765 7.8108 7.8108 7.8121 7.8121 8.0478 8.0478 8.0730 8.0730 8.0747 8.0747 10.6802 10.6802 19.2068 19.2068 19.2126 19.2126 19.2485 19.2485 k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -8.0396 -8.0396 6.0307 6.0307 6.1787 6.1787 6.1787 6.1787 7.8100 7.8100 7.8100 7.8100 8.0469 8.0469 8.0721 8.0721 8.0721 8.0721 10.6745 10.6745 19.2126 19.2126 19.2126 19.2126 19.2509 19.2509 k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -8.0396 -8.0396 6.0307 6.0307 6.1787 6.1787 6.1787 6.1787 7.8100 7.8100 7.8100 7.8100 8.0469 8.0469 8.0721 8.0721 8.0721 8.0721 10.6745 10.6745 19.2126 19.2126 19.2126 19.2126 19.2509 19.2509 k = 0.0089 0.0052 0.0036 ( 1067 PWs) bands (ev): -8.0389 -8.0389 6.0272 6.0272 6.1734 6.1734 6.1763 6.1763 7.8111 7.8111 7.8117 7.8117 8.0478 8.0478 8.0734 8.0734 8.0742 8.0742 10.6801 10.6801 19.2066 19.2066 19.2129 19.2129 19.2486 19.2486 k = 0.0179 0.0103 0.0073 ( 1067 PWs) bands (ev): -8.0369 -8.0369 6.0164 6.0164 6.1581 6.1581 6.1691 6.1691 7.8145 7.8145 7.8168 7.8168 8.0503 8.0503 8.0775 8.0775 8.0807 8.0807 10.6969 10.6969 19.1855 19.1855 19.2138 19.2138 19.2450 19.2450 k = 0.0268 0.0155 0.0109 ( 1067 PWs) bands (ev): -8.0334 -8.0334 5.9974 5.9974 6.1342 6.1342 6.1573 6.1573 7.8200 7.8200 7.8251 7.8251 8.0544 8.0544 8.0845 8.0845 8.0914 8.0914 10.7247 10.7247 19.1474 19.1474 19.2150 19.2150 19.2429 19.2429 k = 0.0357 0.0206 0.0146 ( 1067 PWs) bands (ev): -8.0286 -8.0286 5.9685 5.9685 6.1042 6.1042 6.1412 6.1412 7.8272 7.8272 7.8360 7.8360 8.0599 8.0599 8.0946 8.0946 8.1065 8.1065 10.7629 10.7629 19.0938 19.0938 19.2165 19.2165 19.2420 19.2420 k = 0.0446 0.0258 0.0182 ( 1061 PWs) bands (ev): -8.0225 -8.0225 5.9279 5.9279 6.0712 6.0712 6.1210 6.1210 7.8358 7.8358 7.8490 7.8490 8.0667 8.0667 8.1082 8.1082 8.1257 8.1257 10.8111 10.8111 19.0271 19.0271 19.2179 19.2179 19.2411 19.2411 k = 0.0536 0.0309 0.0219 ( 1061 PWs) bands (ev): -8.0150 -8.0150 5.8745 5.8745 6.0376 6.0376 6.0971 6.0971 7.8454 7.8454 7.8635 7.8635 8.0745 8.0745 8.1252 8.1252 8.1488 8.1488 10.8687 10.8687 18.9495 18.9495 19.2187 19.2187 19.2395 19.2395 k = 0.0625 0.0361 0.0255 ( 1055 PWs) bands (ev): -8.0061 -8.0061 5.8089 5.8089 6.0041 6.0041 6.0699 6.0699 7.8557 7.8557 7.8788 7.8788 8.0834 8.0834 8.1461 8.1461 8.1758 8.1758 10.9348 10.9348 18.8630 18.8630 19.2183 19.2183 19.2363 19.2363 k = 0.0714 0.0412 0.0292 ( 1049 PWs) bands (ev): -7.9960 -7.9960 5.7327 5.7327 5.9705 5.9705 6.0397 6.0397 7.8665 7.8665 7.8944 7.8944 8.0930 8.0930 8.1710 8.1710 8.2064 8.2064 11.0086 11.0086 18.7693 18.7693 19.2160 19.2160 19.2308 19.2308 k = 0.0804 0.0464 0.0328 ( 1046 PWs) bands (ev): -7.9845 -7.9845 5.6478 5.6478 5.9362 5.9362 6.0070 6.0070 7.8775 7.8775 7.9099 7.9099 8.1032 8.1032 8.1998 8.1998 8.2401 8.2401 11.0894 11.0894 18.6701 18.6701 19.2109 19.2109 19.2217 19.2217 k = 0.0893 0.0515 0.0365 ( 1046 PWs) bands (ev): -7.9718 -7.9718 5.5556 5.5556 5.9009 5.9009 5.9721 5.9721 7.8885 7.8885 7.9249 7.9249 8.1137 8.1137 8.2324 8.2324 8.2769 8.2769 11.1763 11.1763 18.5667 18.5667 19.2019 19.2019 19.2080 19.2080 k = 0.0982 0.0567 0.0401 ( 1052 PWs) bands (ev): -7.9578 -7.9578 5.4575 5.4575 5.8646 5.8646 5.9354 5.9354 7.8996 7.8996 7.9395 7.9395 8.1244 8.1244 8.2685 8.2685 8.3163 8.3163 11.2685 11.2685 18.4604 18.4604 19.1875 19.1875 19.1882 19.1882 k = 0.1071 0.0619 0.0437 ( 1052 PWs) bands (ev): -7.9426 -7.9426 5.3545 5.3545 5.8272 5.8272 5.8972 5.8972 7.9109 7.9109 7.9536 7.9536 8.1356 8.1356 8.3078 8.3078 8.3581 8.3581 11.3652 11.3652 18.3523 18.3523 19.1608 19.1608 19.1665 19.1665 k = 0.1161 0.0670 0.0474 ( 1046 PWs) bands (ev): -7.9262 -7.9262 5.2475 5.2475 5.7890 5.7890 5.8578 5.8578 7.9224 7.9224 7.9675 7.9675 8.1470 8.1470 8.3501 8.3501 8.4021 8.4021 11.4655 11.4655 18.2434 18.2434 19.1247 19.1247 19.1374 19.1374 k = 0.1250 0.0722 0.0510 ( 1058 PWs) bands (ev): -7.9086 -7.9086 5.1371 5.1371 5.7499 5.7499 5.8173 5.8173 7.9337 7.9337 7.9807 7.9807 8.1585 8.1585 8.3944 8.3944 8.4477 8.4477 11.5687 11.5687 18.1345 18.1345 19.0785 19.0785 19.0989 19.0989 k = 0.1339 0.0773 0.0547 ( 1058 PWs) bands (ev): -7.8899 -7.8899 5.0242 5.0242 5.7101 5.7101 5.7761 5.7761 7.9455 7.9455 7.9940 7.9940 8.1703 8.1703 8.4410 8.4410 8.4951 8.4951 11.6741 11.6741 18.0263 18.0263 19.0218 19.0218 19.0501 19.0501 k = 0.1429 0.0825 0.0583 ( 1058 PWs) bands (ev): -7.8701 -7.8701 4.9091 4.9091 5.6700 5.6700 5.7345 5.7345 7.9574 7.9574 8.0072 8.0072 8.1822 8.1822 8.4893 8.4893 8.5437 8.5437 11.7809 11.7809 17.9196 17.9196 18.9545 18.9545 18.9905 18.9905 k = 0.1518 0.0876 0.0620 ( 1052 PWs) bands (ev): -7.8492 -7.8492 4.7924 4.7924 5.6294 5.6294 5.6925 5.6925 7.9696 7.9696 8.0205 8.0205 8.1944 8.1944 8.5389 8.5389 8.5934 8.5934 11.8883 11.8883 17.8149 17.8149 18.8772 18.8772 18.9206 18.9206 k = 0.1607 0.0928 0.0656 ( 1049 PWs) bands (ev): -7.8273 -7.8273 4.6745 4.6745 5.5887 5.5887 5.6504 5.6504 7.9820 7.9820 8.0337 8.0337 8.2067 8.2067 8.5897 8.5897 8.6441 8.6441 11.9958 11.9958 17.7130 17.7130 18.7909 18.7909 18.8410 18.8410 k = 0.1696 0.0979 0.0693 ( 1049 PWs) bands (ev): -7.8045 -7.8045 4.5559 4.5559 5.5480 5.5480 5.6083 5.6083 7.9946 7.9946 8.0469 8.0469 8.2192 8.2192 8.6413 8.6413 8.6954 8.6954 12.1026 12.1026 17.6144 17.6144 18.6971 18.6971 18.7530 18.7530 k = 0.1786 0.1031 0.0729 ( 1052 PWs) bands (ev): -7.7807 -7.7807 4.4368 4.4368 5.5073 5.5073 5.5663 5.5663 8.0073 8.0073 8.0602 8.0602 8.2317 8.2317 8.6935 8.6935 8.7472 8.7472 12.2079 12.2079 17.5197 17.5197 18.5972 18.5972 18.6581 18.6581 k = 0.1875 0.1083 0.0765 ( 1052 PWs) bands (ev): -7.7561 -7.7561 4.3176 4.3176 5.4669 5.4669 5.5246 5.5246 8.0204 8.0204 8.0737 8.0737 8.2446 8.2446 8.7462 8.7462 8.7994 8.7994 12.3111 12.3111 17.4294 17.4294 18.4926 18.4926 18.5576 18.5576 k = 0.1964 0.1134 0.0802 ( 1059 PWs) bands (ev): -7.7307 -7.7307 4.1986 4.1986 5.4267 5.4267 5.4831 5.4831 8.0336 8.0336 8.0872 8.0872 8.2576 8.2576 8.7991 8.7991 8.8517 8.8517 12.4115 12.4115 17.3441 17.3441 18.3845 18.3845 18.4530 18.4530 k = 0.2054 0.1186 0.0838 ( 1065 PWs) bands (ev): -7.7045 -7.7045 4.0801 4.0801 5.3869 5.3869 5.4422 5.4422 8.0469 8.0469 8.1008 8.1008 8.2708 8.2708 8.8522 8.8522 8.9041 8.9041 12.5084 12.5084 17.2645 17.2645 18.2741 18.2741 18.3454 18.3454 k = 0.2143 0.1237 0.0875 ( 1065 PWs) bands (ev): -7.6777 -7.6777 3.9623 3.9623 5.3477 5.3477 5.4019 5.4019 8.0606 8.0606 8.1146 8.1146 8.2843 8.2843 8.9053 8.9053 8.9566 8.9566 12.6011 12.6011 17.1910 17.1910 18.1622 18.1622 18.2359 18.2359 k = 0.2232 0.1289 0.0911 ( 1065 PWs) bands (ev): -7.6502 -7.6502 3.8456 3.8456 5.3091 5.3091 5.3623 5.3623 8.0745 8.0745 8.1285 8.1285 8.2980 8.2980 8.9583 8.9583 9.0089 9.0089 12.6888 12.6888 17.1241 17.1241 18.0497 18.0497 18.1253 18.1253 k = 0.2321 0.1340 0.0948 ( 1065 PWs) bands (ev): -7.6222 -7.6222 3.7300 3.7300 5.2711 5.2711 5.3234 5.3234 8.0885 8.0885 8.1424 8.1424 8.3119 8.3119 9.0110 9.0110 9.0608 9.0608 12.7709 12.7709 17.0645 17.0645 17.9372 17.9372 18.0143 18.0143 k = 0.2411 0.1392 0.0984 ( 1065 PWs) bands (ev): -7.5937 -7.5937 3.6158 3.6158 5.2339 5.2339 5.2853 5.2853 8.1026 8.1026 8.1563 8.1563 8.3261 8.3261 9.0633 9.0633 9.1125 9.1125 12.8468 12.8468 17.0125 17.0125 17.8253 17.8253 17.9036 17.9036 k = 0.2500 0.1443 0.1021 ( 1065 PWs) bands (ev): -7.5648 -7.5648 3.5033 3.5033 5.1974 5.1974 5.2480 5.2480 8.1169 8.1169 8.1703 8.1703 8.3404 8.3404 9.1152 9.1152 9.1636 9.1636 12.9159 12.9159 16.9686 16.9686 17.7144 17.7144 17.7937 17.7937 k = 0.2589 0.1495 0.1057 ( 1068 PWs) bands (ev): -7.5356 -7.5356 3.3926 3.3926 5.1618 5.1618 5.2116 5.2116 8.1312 8.1312 8.1843 8.1843 8.3549 8.3549 9.1664 9.1664 9.2141 9.2141 12.9776 12.9776 16.9331 16.9331 17.6049 17.6049 17.6849 17.6849 k = 0.2679 0.1546 0.1094 ( 1068 PWs) bands (ev): -7.5062 -7.5062 3.2840 3.2840 5.1271 5.1271 5.1762 5.1762 8.1456 8.1456 8.1982 8.1982 8.3695 8.3695 9.2170 9.2170 9.2639 9.2639 13.0318 13.0318 16.9060 16.9060 17.4972 17.4972 17.5777 17.5777 k = 0.2768 0.1598 0.1130 ( 1068 PWs) bands (ev): -7.4766 -7.4766 3.1775 3.1775 5.0934 5.0934 5.1418 5.1418 8.1601 8.1601 8.2120 8.2120 8.3843 8.3843 9.2668 9.2668 9.3130 9.3130 13.0780 13.0780 16.8876 16.8876 17.3915 17.3915 17.4724 17.4724 k = 0.2857 0.1650 0.1166 ( 1071 PWs) bands (ev): -7.4470 -7.4470 3.0734 3.0734 5.0608 5.0608 5.1085 5.1085 8.1744 8.1744 8.2256 8.2256 8.3991 8.3991 9.3157 9.3157 9.3611 9.3611 13.1162 13.1162 16.8775 16.8775 17.2883 17.2883 17.3692 17.3692 k = 0.2946 0.1701 0.1203 ( 1071 PWs) bands (ev): -7.4174 -7.4174 2.9719 2.9719 5.0291 5.0291 5.0762 5.0762 8.1887 8.1887 8.2392 8.2392 8.4140 8.4140 9.3637 9.3637 9.4084 9.4084 13.1464 13.1464 16.8755 16.8755 17.1878 17.1878 17.2684 17.2684 k = 0.3036 0.1753 0.1239 ( 1059 PWs) bands (ev): -7.3880 -7.3880 2.8732 2.8732 4.9987 4.9987 5.0452 5.0452 8.2032 8.2032 8.2528 8.2528 8.4290 8.4290 9.4107 9.4107 9.4546 9.4546 13.1690 13.1690 16.8805 16.8805 17.0909 17.0909 17.1703 17.1703 k = 0.3125 0.1804 0.1276 ( 1059 PWs) bands (ev): -7.3588 -7.3588 2.7774 2.7774 4.9693 4.9693 5.0153 5.0153 8.2173 8.2173 8.2660 8.2660 8.4439 8.4439 9.4565 9.4565 9.4997 9.4997 13.1842 13.1842 16.8897 16.8897 17.0000 17.0000 17.0750 17.0750 k = 0.3214 0.1856 0.1312 ( 1059 PWs) bands (ev): -7.3300 -7.3300 2.6846 2.6846 4.9410 4.9410 4.9866 4.9866 8.2312 8.2312 8.2788 8.2788 8.4587 8.4587 9.5010 9.5010 9.5435 9.5435 13.1926 13.1926 16.8765 16.8765 16.9410 16.9410 16.9827 16.9827 k = 0.3304 0.1907 0.1349 ( 1059 PWs) bands (ev): -7.3016 -7.3016 2.5951 2.5951 4.9140 4.9140 4.9591 4.9591 8.2448 8.2448 8.2913 8.2913 8.4734 8.4734 9.5442 9.5442 9.5860 9.5860 13.1948 13.1948 16.8025 16.8025 16.8935 16.8935 16.9519 16.9519 k = 0.3393 0.1959 0.1385 ( 1059 PWs) bands (ev): -7.2738 -7.2738 2.5090 2.5090 4.8882 4.8882 4.9329 4.9329 8.2582 8.2582 8.3035 8.3035 8.4879 8.4879 9.5860 9.5860 9.6271 9.6271 13.1915 13.1915 16.7196 16.7196 16.8078 16.8078 16.9800 16.9800 k = 0.3482 0.2010 0.1422 ( 1059 PWs) bands (ev): -7.2467 -7.2467 2.4265 2.4265 4.8637 4.8637 4.9079 4.9079 8.2712 8.2712 8.3153 8.3153 8.5022 8.5022 9.6263 9.6263 9.6667 9.6667 13.1835 13.1835 16.6384 16.6384 16.7256 16.7256 17.0139 17.0139 k = 0.3571 0.2062 0.1458 ( 1059 PWs) bands (ev): -7.2203 -7.2203 2.3477 2.3477 4.8404 4.8404 4.8843 4.8843 8.2838 8.2838 8.3266 8.3266 8.5161 8.5161 9.6649 9.6649 9.7047 9.7047 13.1715 13.1715 16.5604 16.5604 16.6471 16.6471 17.0513 17.0513 k = 0.3661 0.2114 0.1494 ( 1065 PWs) bands (ev): -7.1949 -7.1949 2.2727 2.2727 4.8183 4.8183 4.8619 4.8619 8.2959 8.2959 8.3374 8.3374 8.5297 8.5297 9.7018 9.7018 9.7409 9.7409 13.1563 13.1563 16.4861 16.4861 16.5724 16.5724 17.0910 17.0910 k = 0.3750 0.2165 0.1531 ( 1059 PWs) bands (ev): -7.1704 -7.1704 2.2018 2.2018 4.7978 4.7978 4.8410 4.8410 8.3077 8.3077 8.3479 8.3479 8.5431 8.5431 9.7371 9.7371 9.7755 9.7755 13.1385 13.1385 16.4156 16.4156 16.5017 16.5017 17.1320 17.1320 k = 0.3839 0.2217 0.1567 ( 1059 PWs) bands (ev): -7.1471 -7.1471 2.1351 2.1351 4.7785 4.7785 4.8215 4.8215 8.3188 8.3188 8.3577 8.3577 8.5558 8.5558 9.7704 9.7704 9.8082 9.8082 13.1190 13.1190 16.3492 16.3492 16.4351 16.4351 17.1735 17.1735 k = 0.3929 0.2268 0.1604 ( 1059 PWs) bands (ev): -7.1249 -7.1249 2.0727 2.0727 4.7606 4.7606 4.8033 4.8033 8.3293 8.3293 8.3669 8.3669 8.5679 8.5679 9.8017 9.8017 9.8390 9.8390 13.0984 13.0984 16.2871 16.2871 16.3729 16.3729 17.2146 17.2146 k = 0.4018 0.2320 0.1640 ( 1056 PWs) bands (ev): -7.1041 -7.1041 2.0147 2.0147 4.7440 4.7440 4.7865 4.7865 8.3392 8.3392 8.3755 8.3755 8.5796 8.5796 9.8309 9.8309 9.8676 9.8676 13.0772 13.0772 16.2294 16.2294 16.3150 16.3150 17.2547 17.2547 k = 0.4107 0.2371 0.1677 ( 1056 PWs) bands (ev): -7.0848 -7.0848 1.9613 1.9613 4.7288 4.7288 4.7711 4.7711 8.3483 8.3483 8.3835 8.3835 8.5905 8.5905 9.8579 9.8579 9.8942 9.8942 13.0561 13.0561 16.1761 16.1761 16.2617 16.2617 17.2931 17.2931 k = 0.4196 0.2423 0.1713 ( 1056 PWs) bands (ev): -7.0669 -7.0669 1.9126 1.9126 4.7151 4.7151 4.7572 4.7572 8.3567 8.3567 8.3908 8.3908 8.6005 8.6005 9.8827 9.8827 9.9185 9.9185 13.0356 13.0356 16.1276 16.1276 16.2130 16.2130 17.3293 17.3293 k = 0.4286 0.2474 0.1750 ( 1062 PWs) bands (ev): -7.0507 -7.0507 1.8687 1.8687 4.7027 4.7027 4.7447 4.7447 8.3642 8.3642 8.3974 8.3974 8.6096 8.6096 9.9051 9.9051 9.9405 9.9405 13.0160 13.0160 16.0838 16.0838 16.1691 16.1691 17.3628 17.3628 k = 0.4375 0.2526 0.1786 ( 1068 PWs) bands (ev): -7.0361 -7.0361 1.8297 1.8297 4.6918 4.6918 4.7336 4.7336 8.3709 8.3709 8.4032 8.4032 8.6175 8.6175 9.9251 9.9251 9.9601 9.9601 12.9979 12.9979 16.0448 16.0448 16.1301 16.1301 17.3932 17.3932 k = 0.4464 0.2577 0.1823 ( 1068 PWs) bands (ev): -7.0234 -7.0234 1.7957 1.7957 4.6824 4.6824 4.7240 4.7240 8.3769 8.3769 8.4084 8.4084 8.6249 8.6249 9.9426 9.9426 9.9773 9.9773 12.9814 12.9814 16.0109 16.0109 16.0961 16.0961 17.4202 17.4202 k = 0.4554 0.2629 0.1859 ( 1068 PWs) bands (ev): -7.0124 -7.0124 1.7668 1.7668 4.6743 4.6743 4.7159 4.7159 8.3820 8.3820 8.4128 8.4128 8.6312 8.6312 9.9575 9.9575 9.9919 9.9919 12.9670 12.9670 15.9820 15.9820 16.0672 16.0672 17.4435 17.4435 k = 0.4643 0.2681 0.1895 ( 1068 PWs) bands (ev): -7.0034 -7.0034 1.7430 1.7430 4.6678 4.6678 4.7092 4.7092 8.3862 8.3862 8.4164 8.4164 8.6365 8.6365 9.9698 9.9698 10.0040 10.0040 12.9549 12.9549 15.9583 15.9583 16.0434 16.0434 17.4628 17.4628 k = 0.4732 0.2732 0.1932 ( 1068 PWs) bands (ev): -6.9963 -6.9963 1.7245 1.7245 4.6626 4.6626 4.7040 4.7040 8.3895 8.3895 8.4192 8.4192 8.6406 8.6406 9.9795 9.9795 10.0135 10.0135 12.9453 12.9453 15.9397 15.9397 16.0248 16.0248 17.4780 17.4780 k = 0.4821 0.2784 0.1968 ( 1068 PWs) bands (ev): -6.9912 -6.9912 1.7112 1.7112 4.6590 4.6590 4.7003 4.7003 8.3919 8.3919 8.4212 8.4212 8.6436 8.6436 9.9864 9.9864 10.0202 10.0202 12.9383 12.9383 15.9264 15.9264 16.0115 16.0115 17.4890 17.4890 k = 0.4911 0.2835 0.2005 ( 1068 PWs) bands (ev): -6.9882 -6.9882 1.7032 1.7032 4.6568 4.6568 4.6981 4.6981 8.3933 8.3933 8.4224 8.4224 8.6454 8.6454 9.9905 9.9905 10.0243 10.0243 12.9341 12.9341 15.9185 15.9185 16.0035 16.0035 17.4956 17.4956 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -6.9872 -6.9872 1.7005 1.7005 4.6561 4.6561 4.6973 4.6973 8.3938 8.3938 8.4228 8.4228 8.6460 8.6460 9.9919 9.9919 10.0257 10.0257 12.9326 12.9326 15.9158 15.9158 16.0008 16.0008 17.4978 17.4978 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -6.9872 -6.9872 1.7005 1.7005 4.6561 4.6561 4.6973 4.6973 8.3938 8.3938 8.4228 8.4228 8.6460 8.6460 9.9919 9.9919 10.0257 10.0257 12.9326 12.9326 15.9158 15.9158 16.0008 16.0008 17.4978 17.4978 k = 0.5031 0.2797 0.2092 ( 1068 PWs) bands (ev): -6.9869 -6.9869 1.7016 1.7016 4.6552 4.6552 4.6965 4.6965 8.3936 8.3936 8.4227 8.4227 8.6458 8.6458 9.9895 9.9895 10.0234 10.0234 12.9384 12.9384 15.9117 15.9117 15.9975 15.9975 17.5061 17.5061 k = 0.5062 0.2706 0.2143 ( 1064 PWs) bands (ev): -6.9861 -6.9861 1.7049 1.7049 4.6525 4.6525 4.6943 4.6943 8.3931 8.3931 8.4223 8.4223 8.6453 8.6453 9.9818 9.9818 10.0172 10.0172 12.9554 12.9554 15.8940 15.8940 15.9937 15.9937 17.5302 17.5302 k = 0.5094 0.2616 0.2194 ( 1064 PWs) bands (ev): -6.9847 -6.9847 1.7104 1.7104 4.6475 4.6475 4.6910 4.6910 8.3922 8.3922 8.4216 8.4216 8.6445 8.6445 9.9681 9.9681 10.0080 10.0080 12.9833 12.9833 15.8549 15.8549 15.9996 15.9996 17.5677 17.5677 k = 0.5125 0.2526 0.2245 ( 1064 PWs) bands (ev): -6.9828 -6.9828 1.7181 1.7181 4.6396 4.6396 4.6873 4.6873 8.3908 8.3908 8.4207 8.4207 8.6433 8.6433 9.9479 9.9479 9.9968 9.9968 13.0216 13.0216 15.7960 15.7960 16.0166 16.0166 17.6152 17.6152 k = 0.5156 0.2436 0.2296 ( 1064 PWs) bands (ev): -6.9804 -6.9804 1.7279 1.7279 4.6282 4.6282 4.6838 4.6838 8.3890 8.3890 8.4196 8.4196 8.6417 8.6417 9.9214 9.9214 9.9840 9.9840 13.0695 13.0695 15.7231 15.7231 16.0424 16.0424 17.6693 17.6693 k = 0.5188 0.2345 0.2347 ( 1066 PWs) bands (ev): -6.9775 -6.9775 1.7399 1.7399 4.6133 4.6133 4.6807 4.6807 8.3866 8.3866 8.4184 8.4184 8.6399 8.6399 9.8895 9.8895 9.9696 9.9696 13.1262 13.1262 15.6405 15.6405 16.0754 16.0754 17.7269 17.7269 k = 0.5219 0.2255 0.2398 ( 1070 PWs) bands (ev): -6.9741 -6.9741 1.7541 1.7541 4.5948 4.5948 4.6780 4.6780 8.3837 8.3837 8.4170 8.4170 8.6378 8.6378 9.8529 9.8529 9.9533 9.9533 13.1905 13.1905 15.5515 15.5515 16.1149 16.1149 17.7851 17.7851 k = 0.5250 0.2165 0.2449 ( 1070 PWs) bands (ev): -6.9702 -6.9702 1.7704 1.7704 4.5729 4.5729 4.6756 4.6756 8.3803 8.3803 8.4157 8.4157 8.6354 8.6354 9.8126 9.8126 9.9353 9.9353 13.2613 13.2613 15.4588 15.4588 16.1606 16.1606 17.8416 17.8416 k = 0.5281 0.2075 0.2501 ( 1070 PWs) bands (ev): -6.9658 -6.9658 1.7888 1.7888 4.5479 4.5479 4.6733 4.6733 8.3763 8.3763 8.4144 8.4144 8.6329 8.6329 9.7692 9.7692 9.9155 9.9155 13.3373 13.3373 15.3646 15.3646 16.2121 16.2121 17.8946 17.8946 k = 0.5312 0.1985 0.2552 ( 1068 PWs) bands (ev): -6.9610 -6.9610 1.8094 1.8094 4.5200 4.5200 4.6711 4.6711 8.3716 8.3716 8.4132 8.4132 8.6302 8.6302 9.7236 9.7236 9.8939 9.8939 13.4168 13.4168 15.2711 15.2711 16.2692 16.2692 17.9428 17.9428 k = 0.5344 0.1894 0.2603 ( 1068 PWs) bands (ev): -6.9557 -6.9557 1.8320 1.8320 4.4892 4.4892 4.6689 4.6689 8.3663 8.3663 8.4120 8.4120 8.6274 8.6274 9.6762 9.6762 9.8707 9.8707 13.4982 13.4982 15.1805 15.1805 16.3316 16.3316 17.9851 17.9851 k = 0.5375 0.1804 0.2654 ( 1070 PWs) bands (ev): -6.9500 -6.9500 1.8567 1.8567 4.4557 4.4557 4.6667 4.6667 8.3605 8.3605 8.4108 8.4108 8.6244 8.6244 9.6276 9.6276 9.8460 9.8460 13.5788 13.5788 15.0951 15.0951 16.3990 16.3990 18.0207 18.0207 k = 0.5406 0.1714 0.2705 ( 1072 PWs) bands (ev): -6.9440 -6.9440 1.8834 1.8834 4.4196 4.4196 4.6645 4.6645 8.3541 8.3541 8.4098 8.4098 8.6214 8.6214 9.5782 9.5782 9.8198 9.8198 13.6558 13.6558 15.0182 15.0182 16.4714 16.4714 18.0493 18.0493 k = 0.5437 0.1624 0.2756 ( 1072 PWs) bands (ev): -6.9375 -6.9375 1.9121 1.9121 4.3811 4.3811 4.6622 4.6622 8.3471 8.3471 8.4088 8.4088 8.6184 8.6184 9.5285 9.5285 9.7925 9.7925 13.7249 13.7249 14.9537 14.9537 16.5483 16.5483 18.0708 18.0708 k = 0.5469 0.1534 0.2807 ( 1072 PWs) bands (ev): -6.9307 -6.9307 1.9428 1.9428 4.3404 4.3404 4.6599 4.6599 8.3395 8.3395 8.4078 8.4078 8.6155 8.6155 9.4789 9.4789 9.7639 9.7639 13.7811 13.7811 14.9064 14.9064 16.6296 16.6296 18.0853 18.0853 k = 0.5500 0.1443 0.2858 ( 1070 PWs) bands (ev): -6.9237 -6.9237 1.9755 1.9755 4.2976 4.2976 4.6576 4.6576 8.3314 8.3314 8.4069 8.4069 8.6126 8.6126 9.4297 9.4297 9.7343 9.7343 13.8188 13.8188 14.8819 14.8819 16.7149 16.7149 18.0931 18.0931 k = 0.5531 0.1353 0.2909 ( 1074 PWs) bands (ev): -6.9163 -6.9163 2.0101 2.0101 4.2528 4.2528 4.6552 4.6552 8.3227 8.3227 8.4060 8.4060 8.6099 8.6099 9.3810 9.3810 9.7037 9.7037 13.8333 13.8333 14.8843 14.8843 16.8042 16.8042 18.0949 18.0949 k = 0.5563 0.1263 0.2960 ( 1073 PWs) bands (ev): -6.9087 -6.9087 2.0465 2.0465 4.2061 4.2061 4.6528 4.6528 8.3135 8.3135 8.4053 8.4053 8.6074 8.6074 9.3332 9.3332 9.6724 9.6724 13.8233 13.8233 14.9147 14.9147 16.8969 16.8969 18.0912 18.0912 k = 0.5594 0.1173 0.3011 ( 1073 PWs) bands (ev): -6.9009 -6.9009 2.0848 2.0848 4.1578 4.1578 4.6505 4.6505 8.3037 8.3037 8.4045 8.4045 8.6052 8.6052 9.2865 9.2865 9.6405 9.6405 13.7914 13.7914 14.9700 14.9700 16.9930 16.9930 18.0829 18.0829 k = 0.5625 0.1083 0.3062 ( 1073 PWs) bands (ev): -6.8930 -6.8930 2.1249 2.1249 4.1080 4.1080 4.6482 4.6482 8.2934 8.2934 8.4039 8.4039 8.6032 8.6032 9.2410 9.2410 9.6079 9.6079 13.7423 13.7423 15.0451 15.0451 17.0922 17.0922 18.0708 18.0708 k = 0.5656 0.0992 0.3113 ( 1075 PWs) bands (ev): -6.8849 -6.8849 2.1667 2.1667 4.0570 4.0570 4.6459 4.6459 8.2823 8.2823 8.4034 8.4034 8.6014 8.6014 9.1969 9.1969 9.5749 9.5749 13.6809 13.6809 15.1344 15.1344 17.1940 17.1940 18.0560 18.0560 k = 0.5687 0.0902 0.3164 ( 1077 PWs) bands (ev): -6.8767 -6.8767 2.2101 2.2101 4.0048 4.0048 4.6436 4.6436 8.2707 8.2707 8.4030 8.4030 8.6000 8.6000 9.1544 9.1544 9.5415 9.5415 13.6113 13.6113 15.2333 15.2333 17.2983 17.2983 18.0393 18.0393 k = 0.5719 0.0812 0.3215 ( 1075 PWs) bands (ev): -6.8685 -6.8685 2.2552 2.2552 3.9517 3.9517 4.6415 4.6415 8.2586 8.2586 8.4027 8.4027 8.5991 8.5991 9.1136 9.1136 9.5079 9.5079 13.5365 13.5365 15.3380 15.3380 17.4047 17.4047 18.0219 18.0219 k = 0.5750 0.0722 0.3266 ( 1075 PWs) bands (ev): -6.8603 -6.8603 2.3018 2.3018 3.8978 3.8978 4.6394 4.6394 8.2458 8.2458 8.4026 8.4026 8.5986 8.5986 9.0746 9.0746 9.4740 9.4740 13.4585 13.4585 15.4456 15.4456 17.5129 17.5129 18.0049 18.0049 k = 0.5781 0.0631 0.3317 ( 1073 PWs) bands (ev): -6.8522 -6.8522 2.3499 2.3499 3.8435 3.8435 4.6376 4.6376 8.2324 8.2324 8.4026 8.4026 8.5984 8.5984 9.0376 9.0376 9.4400 9.4400 13.3788 13.3788 15.5539 15.5539 17.6225 17.6225 17.9894 17.9894 k = 0.5813 0.0541 0.3368 ( 1073 PWs) bands (ev): -6.8441 -6.8441 2.3994 2.3994 3.7888 3.7888 4.6358 4.6358 8.2184 8.2184 8.4027 8.4027 8.5987 8.5987 9.0025 9.0025 9.4059 9.4059 13.2984 13.2984 15.6607 15.6607 17.7331 17.7331 17.9768 17.9768 k = 0.5844 0.0451 0.3419 ( 1073 PWs) bands (ev): -6.8362 -6.8362 2.4502 2.4502 3.7340 3.7340 4.6341 4.6341 8.2037 8.2037 8.4030 8.4030 8.5994 8.5994 8.9696 8.9696 9.3719 9.3719 13.2178 13.2178 15.7641 15.7641 17.8438 17.8438 17.9688 17.9688 k = 0.5875 0.0361 0.3470 ( 1069 PWs) bands (ev): -6.8285 -6.8285 2.5022 2.5022 3.6793 3.6793 4.6327 4.6327 8.1886 8.1886 8.4035 8.4035 8.6006 8.6006 8.9389 8.9389 9.3379 9.3379 13.1378 13.1378 15.8625 15.8625 17.9439 17.9439 17.9770 17.9770 k = 0.5906 0.0271 0.3521 ( 1067 PWs) bands (ev): -6.8210 -6.8210 2.5552 2.5552 3.6250 3.6250 4.6315 4.6315 8.1729 8.1729 8.4042 8.4042 8.6021 8.6021 8.9104 8.9104 9.3040 9.3040 13.0585 13.0585 15.9542 15.9542 17.9625 17.9625 18.0730 18.0730 k = 0.5938 0.0180 0.3572 ( 1065 PWs) bands (ev): -6.8139 -6.8139 2.6091 2.6091 3.5713 3.5713 4.6306 4.6306 8.1566 8.1566 8.4050 8.4050 8.6040 8.6040 8.8843 8.8843 9.2703 9.2703 12.9802 12.9802 16.0378 16.0378 17.9733 17.9733 18.1838 18.1838 k = 0.5969 0.0090 0.3623 ( 1062 PWs) bands (ev): -6.8071 -6.8071 2.6638 2.6638 3.5186 3.5186 4.6299 4.6299 8.1399 8.1399 8.4059 8.4059 8.6061 8.6061 8.8606 8.8606 9.2369 9.2369 12.9033 12.9033 16.1120 16.1120 17.9913 17.9913 18.2947 18.2947 k = 0.6000-0.0000 0.3674 ( 1066 PWs) bands (ev): -6.8007 -6.8007 2.7188 2.7188 3.4672 3.4672 4.6294 4.6294 8.1225 8.1225 8.4070 8.4070 8.6083 8.6083 8.8394 8.8394 9.2036 9.2036 12.8277 12.8277 16.1759 16.1759 18.0176 18.0176 18.4046 18.4046 k = 0.6031-0.0090 0.3725 ( 1064 PWs) bands (ev): -6.7947 -6.7947 2.7738 2.7738 3.4177 3.4177 4.6293 4.6293 8.1049 8.1049 8.4083 8.4083 8.6107 8.6107 8.8208 8.8208 9.1707 9.1707 12.7536 12.7536 16.2291 16.2291 18.0521 18.0521 18.5130 18.5130 k = 0.6062-0.0180 0.3776 ( 1070 PWs) bands (ev): -6.7893 -6.7893 2.8282 2.8282 3.3708 3.3708 4.6296 4.6296 8.0869 8.0869 8.4096 8.4096 8.6129 8.6129 8.8047 8.8047 9.1381 9.1381 12.6812 12.6812 16.2716 16.2716 18.0942 18.0942 18.6195 18.6195 k = 0.6094-0.0271 0.3827 ( 1068 PWs) bands (ev): -6.7845 -6.7845 2.8807 2.8807 3.3277 3.3277 4.6302 4.6302 8.0687 8.0687 8.4113 8.4113 8.6150 8.6150 8.7916 8.7916 9.1060 9.1060 12.6105 12.6105 16.3039 16.3039 18.1427 18.1427 18.7237 18.7237 k = 0.6125-0.0361 0.3878 ( 1068 PWs) bands (ev): -6.7802 -6.7802 2.9291 2.9291 3.2907 3.2907 4.6312 4.6312 8.0503 8.0503 8.4130 8.4130 8.6168 8.6168 8.7814 8.7814 9.0743 9.0743 12.5416 12.5416 16.3269 16.3269 18.1959 18.1959 18.8250 18.8250 k = 0.6156-0.0451 0.3929 ( 1068 PWs) bands (ev): -6.7766 -6.7766 2.9694 2.9694 3.2641 3.2641 4.6327 4.6327 8.0317 8.0317 8.4148 8.4148 8.6180 8.6180 8.7742 8.7742 9.0432 9.0432 12.4745 12.4745 16.3418 16.3418 18.2520 18.2520 18.9232 18.9232 k = 0.6188-0.0541 0.3980 ( 1068 PWs) bands (ev): -6.7738 -6.7738 2.9945 2.9945 3.2548 3.2548 4.6346 4.6346 8.0131 8.0131 8.4169 8.4169 8.6186 8.6186 8.7699 8.7699 9.0126 9.0126 12.4094 12.4094 16.3498 16.3498 18.3088 18.3088 19.0177 19.0177 k = 0.6219-0.0631 0.4031 ( 1068 PWs) bands (ev): -6.7717 -6.7717 2.9990 2.9990 3.2685 3.2685 4.6369 4.6369 7.9944 7.9944 8.4190 8.4190 8.6185 8.6185 8.7686 8.7686 8.9826 8.9826 12.3464 12.3464 16.3521 16.3521 18.3644 18.3644 19.1084 19.1084 k = 0.6250-0.0722 0.4082 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.6250-0.0722 0.4082 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.6196-0.0690 0.4171 ( 1065 PWs) bands (ev): -6.7702 -6.7702 2.9862 2.9862 3.3032 3.3032 4.6370 4.6370 7.9768 7.9768 8.4212 8.4212 8.6176 8.6176 8.7700 8.7700 8.9518 8.9518 12.2907 12.2907 16.3511 16.3511 18.4138 18.4138 19.1826 19.1826 k = 0.6141-0.0659 0.4260 ( 1065 PWs) bands (ev): -6.7699 -6.7699 2.9885 2.9885 3.3051 3.3051 4.6286 4.6286 7.9799 7.9799 8.4207 8.4207 8.6169 8.6169 8.7695 8.7695 8.9471 8.9471 12.3064 12.3064 16.3548 16.3548 18.4049 18.4049 19.1466 19.1466 k = 0.6087-0.0628 0.4349 ( 1065 PWs) bands (ev): -6.7693 -6.7693 2.9925 2.9925 3.3084 3.3084 4.6146 4.6146 7.9851 7.9851 8.4198 8.4198 8.6159 8.6159 8.7687 8.7687 8.9394 8.9394 12.3322 12.3322 16.3609 16.3609 18.3902 18.3902 19.0891 19.0891 k = 0.6033-0.0596 0.4437 ( 1067 PWs) bands (ev): -6.7685 -6.7685 2.9979 2.9979 3.3129 3.3129 4.5952 4.5952 7.9921 7.9921 8.4187 8.4187 8.6144 8.6144 8.7676 8.7676 8.9290 8.9290 12.3676 12.3676 16.3696 16.3696 18.3698 18.3698 19.0133 19.0133 k = 0.5978-0.0565 0.4526 ( 1069 PWs) bands (ev): -6.7674 -6.7674 3.0050 3.0050 3.3186 3.3186 4.5707 4.5707 8.0011 8.0011 8.4171 8.4171 8.6124 8.6124 8.7662 8.7662 8.9163 8.9163 12.4119 12.4119 16.3808 16.3808 18.3440 18.3440 18.9229 18.9229 k = 0.5924-0.0533 0.4615 ( 1069 PWs) bands (ev): -6.7662 -6.7662 3.0135 3.0135 3.3256 3.3256 4.5413 4.5413 8.0118 8.0118 8.4152 8.4152 8.6101 8.6101 8.7645 8.7645 8.9017 8.9017 12.4644 12.4644 16.3947 16.3947 18.3131 18.3131 18.8211 18.8211 k = 0.5870-0.0502 0.4704 ( 1069 PWs) bands (ev): -6.7648 -6.7648 3.0236 3.0236 3.3337 3.3337 4.5074 4.5074 8.0242 8.0242 8.4130 8.4130 8.6074 8.6074 8.7625 8.7625 8.8858 8.8858 12.5242 12.5242 16.4114 16.4114 18.2773 18.2773 18.7112 18.7112 k = 0.5815-0.0471 0.4792 ( 1067 PWs) bands (ev): -6.7632 -6.7632 3.0353 3.0353 3.3428 3.3428 4.4692 4.4692 8.0379 8.0379 8.4103 8.4103 8.6043 8.6043 8.7602 8.7602 8.8690 8.8690 12.5901 12.5901 16.4311 16.4311 18.2370 18.2370 18.5957 18.5957 k = 0.5761-0.0439 0.4881 ( 1069 PWs) bands (ev): -6.7614 -6.7614 3.0485 3.0485 3.3530 3.3530 4.4273 4.4273 8.0530 8.0530 8.4073 8.4073 8.6008 8.6008 8.7575 8.7575 8.8516 8.8516 12.6611 12.6611 16.4538 16.4538 18.1927 18.1927 18.4769 18.4769 k = 0.5707-0.0408 0.4970 ( 1068 PWs) bands (ev): -6.7596 -6.7596 3.0632 3.0632 3.3641 3.3641 4.3821 4.3821 8.0692 8.0692 8.4038 8.4038 8.5969 8.5969 8.7544 8.7544 8.8344 8.8344 12.7359 12.7359 16.4798 16.4798 18.1446 18.1446 18.3567 18.3567 k = 0.5652-0.0377 0.5059 ( 1069 PWs) bands (ev): -6.7576 -6.7576 3.0794 3.0794 3.3760 3.3760 4.3340 4.3340 8.0862 8.0862 8.3999 8.3999 8.5928 8.5928 8.7509 8.7509 8.8176 8.8176 12.8133 12.8133 16.5093 16.5093 18.0930 18.0930 18.2369 18.2369 k = 0.5598-0.0345 0.5147 ( 1067 PWs) bands (ev): -6.7556 -6.7556 3.0970 3.0970 3.3884 3.3884 4.2836 4.2836 8.1039 8.1039 8.3956 8.3956 8.5885 8.5885 8.7470 8.7470 8.8018 8.8018 12.8920 12.8920 16.5425 16.5425 18.0380 18.0380 18.1193 18.1193 k = 0.5543-0.0314 0.5236 ( 1067 PWs) bands (ev): -6.7536 -6.7536 3.1162 3.1162 3.4012 3.4012 4.2316 4.2316 8.1221 8.1221 8.3907 8.3907 8.5840 8.5840 8.7425 8.7425 8.7873 8.7873 12.9704 12.9704 16.5798 16.5798 17.9767 17.9767 18.0084 18.0084 k = 0.5489-0.0282 0.5325 ( 1067 PWs) bands (ev): -6.7515 -6.7515 3.1367 3.1367 3.4141 3.4141 4.1785 4.1785 8.1406 8.1406 8.3854 8.3854 8.5795 8.5795 8.7373 8.7373 8.7745 8.7745 13.0474 13.0474 16.6214 16.6214 17.8857 17.8857 17.9293 17.9293 k = 0.5435-0.0251 0.5414 ( 1069 PWs) bands (ev): -6.7495 -6.7495 3.1587 3.1587 3.4265 3.4265 4.1252 4.1252 8.1591 8.1591 8.3795 8.3795 8.5751 8.5751 8.7315 8.7315 8.7635 8.7635 13.1212 13.1212 16.6677 16.6677 17.7817 17.7817 17.8667 17.8667 k = 0.5380-0.0220 0.5502 ( 1065 PWs) bands (ev): -6.7476 -6.7476 3.1821 3.1821 3.4380 3.4380 4.0728 4.0728 8.1774 8.1774 8.3731 8.3731 8.5710 8.5710 8.7255 8.7255 8.7544 8.7544 13.1906 13.1906 16.7188 16.7188 17.6824 17.6824 17.8044 17.8044 k = 0.5326-0.0188 0.5591 ( 1065 PWs) bands (ev): -6.7457 -6.7457 3.2069 3.2069 3.4476 3.4476 4.0223 4.0223 8.1951 8.1951 8.3663 8.3663 8.5673 8.5673 8.7195 8.7195 8.7468 8.7468 13.2540 13.2540 16.7750 16.7750 17.5900 17.5900 17.7414 17.7414 k = 0.5272-0.0157 0.5680 ( 1065 PWs) bands (ev): -6.7441 -6.7441 3.2330 3.2330 3.4543 3.4543 3.9752 3.9752 8.2120 8.2120 8.3591 8.3591 8.5641 8.5641 8.7142 8.7142 8.7402 8.7402 13.3101 13.3101 16.8361 16.8361 17.5062 17.5062 17.6779 17.6779 k = 0.5217-0.0126 0.5769 ( 1065 PWs) bands (ev): -6.7426 -6.7426 3.2603 3.2603 3.4564 3.4564 3.9334 3.9334 8.2277 8.2277 8.3516 8.3516 8.5616 8.5616 8.7101 8.7101 8.7342 8.7342 13.3577 13.3577 16.9015 16.9015 17.4324 17.4324 17.6141 17.6141 k = 0.5163-0.0094 0.5857 ( 1065 PWs) bands (ev): -6.7414 -6.7414 3.2887 3.2887 3.4525 3.4525 3.8989 3.8989 8.2417 8.2417 8.3441 8.3441 8.5597 8.5597 8.7077 8.7077 8.7286 8.7286 13.3957 13.3957 16.9694 16.9694 17.3715 17.3715 17.5503 17.5503 k = 0.5109-0.0063 0.5946 ( 1065 PWs) bands (ev): -6.7405 -6.7405 3.3180 3.3180 3.4410 3.4410 3.8738 3.8738 8.2533 8.2533 8.3373 8.3373 8.5586 8.5586 8.7071 8.7071 8.7232 8.7232 13.4233 13.4233 17.0341 17.0341 17.3292 17.3292 17.4869 17.4869 k = 0.5054-0.0031 0.6035 ( 1056 PWs) bands (ev): -6.7399 -6.7399 3.3466 3.3466 3.4225 3.4225 3.8590 3.8590 8.2614 8.2614 8.3324 8.3324 8.5582 8.5582 8.7088 8.7088 8.7181 8.7181 13.4400 13.4400 17.0820 17.0820 17.3190 17.3190 17.4246 17.4246 k = 0.5000-0.0000 0.6124 ( 1048 PWs) bands (ev): -6.7396 -6.7396 3.3645 3.3645 3.4078 3.4078 3.8544 3.8544 8.2644 8.2644 8.3306 8.3306 8.5581 8.5581 8.7123 8.7123 8.7135 8.7135 13.4456 13.4456 17.0974 17.0974 17.3452 17.3452 17.3749 17.3749 k = 0.5000-0.0000 0.6124 ( 1048 PWs) bands (ev): -6.7396 -6.7396 3.3645 3.3645 3.4078 3.4078 3.8544 3.8544 8.2644 8.2644 8.3306 8.3306 8.5581 8.5581 8.7123 8.7123 8.7135 8.7135 13.4456 13.4456 17.0974 17.0974 17.3452 17.3452 17.3749 17.3749 k = 0.5000 0.0063 0.6035 ( 1058 PWs) bands (ev): -6.7400 -6.7400 3.3607 3.3607 3.4051 3.4051 3.8613 3.8613 8.2643 8.2643 8.3302 8.3302 8.5585 8.5585 8.7118 8.7118 8.7162 8.7162 13.4467 13.4467 17.0633 17.0633 17.3546 17.3546 17.3984 17.3984 k = 0.5000 0.0126 0.5946 ( 1060 PWs) bands (ev): -6.7409 -6.7409 3.3456 3.3456 3.4021 3.4021 3.8809 3.8809 8.2641 8.2641 8.3295 8.3295 8.5598 8.5598 8.7130 8.7130 8.7224 8.7224 13.4500 13.4500 16.9872 16.9872 17.3625 17.3625 17.4632 17.4632 k = 0.5000 0.0188 0.5857 ( 1066 PWs) bands (ev): -6.7424 -6.7424 3.3162 3.3162 3.4048 3.4048 3.9101 3.9101 8.2638 8.2638 8.3283 8.3283 8.5618 8.5618 8.7159 8.7159 8.7318 8.7318 13.4556 13.4556 16.8953 16.8953 17.3707 17.3707 17.5409 17.5409 k = 0.5000 0.0251 0.5769 ( 1066 PWs) bands (ev): -6.7445 -6.7445 3.2763 3.2763 3.4125 3.4125 3.9456 3.9456 8.2636 8.2636 8.3270 8.3270 8.5645 8.5645 8.7204 8.7204 8.7445 8.7445 13.4634 13.4634 16.7966 16.7966 17.3814 17.3814 17.6200 17.6200 k = 0.5000 0.0314 0.5680 ( 1066 PWs) bands (ev): -6.7472 -6.7472 3.2298 3.2298 3.4240 3.4240 3.9849 3.9849 8.2635 8.2635 8.3256 8.3256 8.5676 8.5676 8.7266 8.7266 8.7606 8.7606 13.4735 13.4735 16.6943 16.6943 17.3947 17.3947 17.6967 17.6967 k = 0.5000 0.0377 0.5591 ( 1066 PWs) bands (ev): -6.7505 -6.7505 3.1791 3.1791 3.4386 3.4386 4.0263 4.0263 8.2635 8.2635 8.3242 8.3242 8.5709 8.5709 8.7346 8.7346 8.7798 8.7798 13.4859 13.4859 16.5897 16.5897 17.4108 17.4108 17.7688 17.7688 k = 0.5000 0.0439 0.5502 ( 1064 PWs) bands (ev): -6.7543 -6.7543 3.1256 3.1256 3.4561 3.4561 4.0684 4.0684 8.2637 8.2637 8.3230 8.3230 8.5743 8.5743 8.7443 8.7443 8.8019 8.8019 13.5007 13.5007 16.4837 16.4837 17.4296 17.4296 17.8348 17.8348 k = 0.5000 0.0502 0.5414 ( 1066 PWs) bands (ev): -6.7587 -6.7587 3.0702 3.0702 3.4763 3.4763 4.1105 4.1105 8.2641 8.2641 8.3221 8.3221 8.5774 8.5774 8.7559 8.7559 8.8269 8.8269 13.5180 13.5180 16.3766 16.3766 17.4509 17.4509 17.8935 17.8935 k = 0.5000 0.0565 0.5325 ( 1066 PWs) bands (ev): -6.7636 -6.7636 3.0137 3.0137 3.4991 3.4991 4.1520 4.1520 8.2647 8.2647 8.3216 8.3216 8.5802 8.5802 8.7695 8.7695 8.8544 8.8544 13.5377 13.5377 16.2689 16.2689 17.4748 17.4748 17.9436 17.9436 k = 0.5000 0.0628 0.5236 ( 1072 PWs) bands (ev): -6.7689 -6.7689 2.9565 2.9565 3.5242 3.5242 4.1924 4.1924 8.2654 8.2654 8.3215 8.3215 8.5827 8.5827 8.7849 8.7849 8.8844 8.8844 13.5601 13.5601 16.1607 16.1607 17.5010 17.5010 17.9839 17.9839 k = 0.5000 0.0690 0.5147 ( 1072 PWs) bands (ev): -6.7747 -6.7747 2.8991 2.8991 3.5517 3.5517 4.2315 4.2315 8.2665 8.2665 8.3221 8.3221 8.5848 8.5848 8.8024 8.8024 8.9166 8.9166 13.5850 13.5850 16.0522 16.0522 17.5295 17.5295 18.0135 18.0135 k = 0.5000 0.0753 0.5059 ( 1074 PWs) bands (ev): -6.7809 -6.7809 2.8416 2.8416 3.5814 3.5814 4.2690 4.2690 8.2679 8.2679 8.3233 8.3233 8.5867 8.5867 8.8216 8.8216 8.9510 8.9510 13.6127 13.6127 15.9435 15.9435 17.5600 17.5600 18.0313 18.0313 k = 0.5000 0.0816 0.4970 ( 1074 PWs) bands (ev): -6.7875 -6.7875 2.7844 2.7844 3.6132 3.6132 4.3048 4.3048 8.2696 8.2696 8.3252 8.3252 8.5882 8.5882 8.8428 8.8428 8.9872 8.9872 13.6433 13.6433 15.8347 15.8347 17.5923 17.5923 18.0366 18.0366 k = 0.5000 0.0879 0.4881 ( 1070 PWs) bands (ev): -6.7945 -6.7945 2.7276 2.7276 3.6469 3.6469 4.3388 4.3388 8.2715 8.2715 8.3278 8.3278 8.5895 8.5895 8.8658 8.8658 9.0252 9.0252 13.6767 13.6767 15.7259 15.7259 17.6262 17.6262 18.0290 18.0290 k = 0.5000 0.0941 0.4792 ( 1072 PWs) bands (ev): -6.8018 -6.8018 2.6714 2.6714 3.6824 3.6824 4.3709 4.3709 8.2737 8.2737 8.3308 8.3308 8.5905 8.5905 8.8905 8.8905 9.0647 9.0647 13.7132 13.7132 15.6172 15.6172 17.6613 17.6613 18.0082 18.0082 k = 0.5000 0.1004 0.4704 ( 1070 PWs) bands (ev): -6.8094 -6.8094 2.6160 2.6160 3.7196 3.7196 4.4010 4.4010 8.2763 8.2763 8.3346 8.3346 8.5914 8.5914 8.9170 8.9170 9.1055 9.1055 13.7528 13.7528 15.5086 15.5086 17.6975 17.6975 17.9745 17.9745 k = 0.5000 0.1067 0.4615 ( 1068 PWs) bands (ev): -6.8172 -6.8172 2.5615 2.5615 3.7582 3.7582 4.4291 4.4291 8.2791 8.2791 8.3387 8.3387 8.5923 8.5923 8.9451 8.9451 9.1475 9.1475 13.7955 13.7955 15.4001 15.4001 17.7341 17.7341 17.9288 17.9288 k = 0.5000 0.1130 0.4526 ( 1070 PWs) bands (ev): -6.8252 -6.8252 2.5080 2.5080 3.7982 3.7982 4.4553 4.4553 8.2821 8.2821 8.3432 8.3432 8.5931 8.5931 8.9747 8.9747 9.1904 9.1904 13.8416 13.8416 15.2917 15.2917 17.7695 17.7695 17.8730 17.8730 k = 0.5000 0.1192 0.4437 ( 1070 PWs) bands (ev): -6.8334 -6.8334 2.4556 2.4556 3.8394 3.8394 4.4795 4.4795 8.2856 8.2856 8.3481 8.3481 8.5939 8.5939 9.0060 9.0060 9.2341 9.2341 13.8911 13.8911 15.1835 15.1835 17.7834 17.7834 17.8283 17.8283 k = 0.5000 0.1255 0.4349 ( 1068 PWs) bands (ev): -6.8417 -6.8417 2.4045 2.4045 3.8815 3.8815 4.5019 4.5019 8.2894 8.2894 8.3532 8.3532 8.5947 8.5947 9.0388 9.0388 9.2782 9.2782 13.9440 13.9440 15.0754 15.0754 17.7186 17.7186 17.8530 17.8530 k = 0.5000 0.1318 0.4260 ( 1072 PWs) bands (ev): -6.8501 -6.8501 2.3547 2.3547 3.9244 3.9244 4.5224 4.5224 8.2933 8.2933 8.3583 8.3583 8.5956 8.5956 9.0732 9.0732 9.3227 9.3227 14.0005 14.0005 14.9675 14.9675 17.6350 17.6350 17.8879 17.8879 k = 0.5000 0.1381 0.4171 ( 1072 PWs) bands (ev): -6.8585 -6.8585 2.3063 2.3063 3.9679 3.9679 4.5411 4.5411 8.2977 8.2977 8.3635 8.3635 8.5967 8.5967 9.1090 9.1090 9.3672 9.3672 14.0605 14.0605 14.8598 14.8598 17.5442 17.5442 17.9226 17.9226 k = 0.5000 0.1443 0.4082 ( 1072 PWs) bands (ev): -6.8670 -6.8670 2.2594 2.2594 4.0118 4.0118 4.5582 4.5582 8.3024 8.3024 8.3686 8.3686 8.5979 8.5979 9.1463 9.1463 9.4116 9.4116 14.1241 14.1241 14.7524 14.7524 17.4485 17.4485 17.9557 17.9557 k = 0.5000 0.1506 0.3994 ( 1070 PWs) bands (ev): -6.8754 -6.8754 2.2140 2.2140 4.0559 4.0559 4.5736 4.5736 8.3074 8.3074 8.3737 8.3737 8.5994 8.5994 9.1851 9.1851 9.4556 9.4556 14.1911 14.1911 14.6454 14.6454 17.3495 17.3495 17.9865 17.9865 k = 0.5000 0.1569 0.3905 ( 1066 PWs) bands (ev): -6.8837 -6.8837 2.1702 2.1702 4.0999 4.0999 4.5875 4.5875 8.3126 8.3126 8.3785 8.3785 8.6012 8.6012 9.2253 9.2253 9.4991 9.4991 14.2613 14.2613 14.5392 14.5392 17.2484 17.2484 18.0142 18.0142 k = 0.5000 0.1632 0.3816 ( 1064 PWs) bands (ev): -6.8920 -6.8920 2.1282 2.1282 4.1437 4.1437 4.6000 4.6000 8.3180 8.3180 8.3831 8.3831 8.6031 8.6031 9.2668 9.2668 9.5418 9.5418 14.3314 14.3314 14.4371 14.4371 17.1467 17.1467 18.0381 18.0381 k = 0.5000 0.1694 0.3727 ( 1068 PWs) bands (ev): -6.9001 -6.9001 2.0878 2.0878 4.1870 4.1870 4.6112 4.6112 8.3235 8.3235 8.3873 8.3873 8.6052 8.6052 9.3095 9.3095 9.5835 9.5835 14.3161 14.3161 14.4244 14.4244 17.0454 17.0454 18.0577 18.0577 k = 0.5000 0.1757 0.3639 ( 1068 PWs) bands (ev): -6.9080 -6.9080 2.0493 2.0493 4.2297 4.2297 4.6211 4.6211 8.3292 8.3292 8.3912 8.3912 8.6075 8.6075 9.3535 9.3535 9.6240 9.6240 14.2150 14.2150 14.5017 14.5017 16.9454 16.9454 18.0721 18.0721 k = 0.5000 0.1820 0.3550 ( 1068 PWs) bands (ev): -6.9157 -6.9157 2.0125 2.0125 4.2715 4.2715 4.6299 4.6299 8.3349 8.3349 8.3948 8.3948 8.6100 8.6100 9.3985 9.3985 9.6631 9.6631 14.1111 14.1111 14.5860 14.5860 16.8477 16.8477 18.0808 18.0808 k = 0.5000 0.1883 0.3461 ( 1074 PWs) bands (ev): -6.9231 -6.9231 1.9777 1.9777 4.3122 4.3122 4.6376 4.6376 8.3406 8.3406 8.3980 8.3980 8.6126 8.6126 9.4443 9.4443 9.7006 9.7006 14.0076 14.0076 14.6740 14.6740 16.7530 16.7530 18.0831 18.0831 k = 0.5000 0.1945 0.3372 ( 1074 PWs) bands (ev): -6.9303 -6.9303 1.9448 1.9448 4.3516 4.3516 4.6445 4.6445 8.3464 8.3464 8.4010 8.4010 8.6154 8.6154 9.4910 9.4910 9.7366 9.7366 13.9053 13.9053 14.7652 14.7652 16.6620 16.6620 18.0785 18.0785 k = 0.5000 0.2008 0.3284 ( 1072 PWs) bands (ev): -6.9371 -6.9371 1.9138 1.9138 4.3894 4.3894 4.6505 4.6505 8.3521 8.3521 8.4037 8.4037 8.6183 8.6183 9.5383 9.5383 9.7707 9.7707 13.8047 13.8047 14.8592 14.8592 16.5753 16.5753 18.0665 18.0665 k = 0.5000 0.2071 0.3195 ( 1072 PWs) bands (ev): -6.9436 -6.9436 1.8849 1.8849 4.4255 4.4255 4.6558 4.6558 8.3576 8.3576 8.4061 8.4061 8.6213 8.6213 9.5857 9.5857 9.8029 9.8029 13.7062 13.7062 14.9555 14.9555 16.4932 16.4932 18.0470 18.0470 k = 0.5000 0.2134 0.3106 ( 1068 PWs) bands (ev): -6.9497 -6.9497 1.8579 1.8579 4.4597 4.4597 4.6604 4.6604 8.3629 8.3629 8.4084 8.4084 8.6244 8.6244 9.6331 9.6331 9.8332 9.8332 13.6103 13.6103 15.0536 15.0536 16.4163 16.4163 18.0198 18.0198 k = 0.5000 0.2196 0.3017 ( 1068 PWs) bands (ev): -6.9555 -6.9555 1.8330 1.8330 4.4918 4.4918 4.6645 4.6645 8.3679 8.3679 8.4103 8.4103 8.6273 8.6273 9.6801 9.6801 9.8612 9.8612 13.5176 13.5176 15.1530 15.1530 16.3448 16.3448 17.9852 17.9852 k = 0.5000 0.2259 0.2929 ( 1068 PWs) bands (ev): -6.9608 -6.9608 1.8102 1.8102 4.5216 4.5216 4.6681 4.6681 8.3725 8.3725 8.4121 8.4121 8.6301 8.6301 9.7261 9.7261 9.8871 9.8871 13.4288 13.4288 15.2529 15.2529 16.2790 16.2790 17.9437 17.9437 k = 0.5000 0.2322 0.2840 ( 1066 PWs) bands (ev): -6.9657 -6.9657 1.7895 1.7895 4.5488 4.5488 4.6713 4.6713 8.3767 8.3767 8.4138 8.4138 8.6329 8.6329 9.7708 9.7708 9.9108 9.9108 13.3447 13.3447 15.3526 15.3526 16.2191 16.2191 17.8959 17.8959 k = 0.5000 0.2385 0.2751 ( 1068 PWs) bands (ev): -6.9701 -6.9701 1.7710 1.7710 4.5733 4.5733 4.6743 4.6743 8.3805 8.3805 8.4154 8.4154 8.6354 8.6354 9.8132 9.8132 9.9322 9.9322 13.2659 13.2659 15.4508 15.4508 16.1654 16.1654 17.8431 17.8431 k = 0.5000 0.2447 0.2662 ( 1068 PWs) bands (ev): -6.9740 -6.9740 1.7545 1.7545 4.5948 4.5948 4.6773 4.6773 8.3838 8.3838 8.4169 8.4169 8.6377 8.6377 9.8530 9.8530 9.9514 9.9514 13.1934 13.1934 15.5462 15.5462 16.1181 16.1181 17.7865 17.7865 k = 0.5000 0.2510 0.2574 ( 1064 PWs) bands (ev): -6.9775 -6.9775 1.7402 1.7402 4.6132 4.6132 4.6803 4.6803 8.3867 8.3867 8.4183 8.4183 8.6399 8.6399 9.8893 9.8893 9.9684 9.9684 13.1280 13.1280 15.6370 15.6370 16.0773 16.0773 17.7282 17.7282 k = 0.5000 0.2573 0.2485 ( 1062 PWs) bands (ev): -6.9804 -6.9804 1.7281 1.7281 4.6281 4.6281 4.6837 4.6837 8.3890 8.3890 8.4196 8.4196 8.6417 8.6417 9.9212 9.9212 9.9834 9.9834 13.0707 13.0707 15.7209 15.7209 16.0435 16.0435 17.6705 17.6705 k = 0.5000 0.2636 0.2396 ( 1062 PWs) bands (ev): -6.9828 -6.9828 1.7182 1.7182 4.6395 4.6395 4.6873 4.6873 8.3908 8.3908 8.4207 8.4207 8.6433 8.6433 9.9477 9.9477 9.9965 9.9965 13.0223 13.0223 15.7947 15.7947 16.0172 16.0172 17.6160 17.6160 k = 0.5000 0.2698 0.2307 ( 1062 PWs) bands (ev): -6.9847 -6.9847 1.7105 1.7105 4.6474 4.6474 4.6910 4.6910 8.3922 8.3922 8.4216 8.4216 8.6445 8.6445 9.9680 9.9680 10.0078 10.0078 12.9837 12.9837 15.8542 15.8542 15.9999 15.9999 17.5682 17.5682 k = 0.5000 0.2761 0.2219 ( 1064 PWs) bands (ev): -6.9861 -6.9861 1.7050 1.7050 4.6525 4.6525 4.6943 4.6943 8.3931 8.3931 8.4223 8.4223 8.6453 8.6453 9.9817 9.9817 10.0171 10.0171 12.9555 12.9555 15.8938 15.8938 15.9937 15.9937 17.5305 17.5305 k = 0.5000 0.2824 0.2130 ( 1068 PWs) bands (ev): -6.9869 -6.9869 1.7017 1.7017 4.6552 4.6552 4.6965 4.6965 8.3936 8.3936 8.4227 8.4227 8.6458 8.6458 9.9894 9.9894 10.0234 10.0234 12.9384 12.9384 15.9117 15.9117 15.9974 15.9974 17.5062 17.5062 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -6.9872 -6.9872 1.7005 1.7005 4.6561 4.6561 4.6973 4.6973 8.3938 8.3938 8.4228 8.4228 8.6460 8.6460 9.9919 9.9919 10.0257 10.0257 12.9326 12.9326 15.9158 15.9158 16.0008 16.0008 17.4978 17.4978 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -6.9872 -6.9872 1.7005 1.7005 4.6561 4.6561 4.6973 4.6973 8.3938 8.3938 8.4228 8.4228 8.6460 8.6460 9.9919 9.9919 10.0257 10.0257 12.9326 12.9326 15.9158 15.9158 16.0008 16.0008 17.4978 17.4978 k = 0.4969 0.2869 0.2143 ( 1068 PWs) bands (ev): -6.9869 -6.9869 1.7016 1.7016 4.6552 4.6552 4.6965 4.6965 8.3936 8.3936 8.4227 8.4227 8.6458 8.6458 9.9895 9.9895 10.0234 10.0234 12.9384 12.9384 15.9117 15.9117 15.9975 15.9975 17.5061 17.5061 k = 0.4938 0.2851 0.2245 ( 1064 PWs) bands (ev): -6.9861 -6.9861 1.7049 1.7049 4.6525 4.6525 4.6943 4.6943 8.3931 8.3931 8.4223 8.4223 8.6453 8.6453 9.9818 9.9818 10.0172 10.0172 12.9554 12.9554 15.8940 15.8940 15.9937 15.9937 17.5302 17.5302 k = 0.4906 0.2833 0.2347 ( 1064 PWs) bands (ev): -6.9847 -6.9847 1.7104 1.7104 4.6475 4.6475 4.6910 4.6910 8.3922 8.3922 8.4216 8.4216 8.6445 8.6445 9.9681 9.9681 10.0080 10.0080 12.9833 12.9833 15.8549 15.8549 15.9996 15.9996 17.5677 17.5677 k = 0.4875 0.2815 0.2449 ( 1064 PWs) bands (ev): -6.9828 -6.9828 1.7181 1.7181 4.6396 4.6396 4.6873 4.6873 8.3908 8.3908 8.4207 8.4207 8.6433 8.6433 9.9479 9.9479 9.9968 9.9968 13.0216 13.0216 15.7960 15.7960 16.0166 16.0166 17.6152 17.6152 k = 0.4844 0.2797 0.2552 ( 1064 PWs) bands (ev): -6.9804 -6.9804 1.7279 1.7279 4.6282 4.6282 4.6838 4.6838 8.3890 8.3890 8.4196 8.4196 8.6417 8.6417 9.9214 9.9214 9.9840 9.9840 13.0695 13.0695 15.7231 15.7231 16.0424 16.0424 17.6693 17.6693 k = 0.4813 0.2778 0.2654 ( 1066 PWs) bands (ev): -6.9775 -6.9775 1.7399 1.7399 4.6133 4.6133 4.6807 4.6807 8.3866 8.3866 8.4184 8.4184 8.6399 8.6399 9.8895 9.8895 9.9696 9.9696 13.1262 13.1262 15.6405 15.6405 16.0754 16.0754 17.7269 17.7269 k = 0.4781 0.2760 0.2756 ( 1070 PWs) bands (ev): -6.9741 -6.9741 1.7541 1.7541 4.5948 4.5948 4.6780 4.6780 8.3837 8.3837 8.4170 8.4170 8.6378 8.6378 9.8529 9.8529 9.9533 9.9533 13.1905 13.1905 15.5515 15.5515 16.1149 16.1149 17.7851 17.7851 k = 0.4750 0.2742 0.2858 ( 1070 PWs) bands (ev): -6.9702 -6.9702 1.7704 1.7704 4.5729 4.5729 4.6756 4.6756 8.3803 8.3803 8.4157 8.4157 8.6354 8.6354 9.8126 9.8126 9.9353 9.9353 13.2613 13.2613 15.4588 15.4588 16.1606 16.1606 17.8416 17.8416 k = 0.4719 0.2724 0.2960 ( 1070 PWs) bands (ev): -6.9658 -6.9658 1.7888 1.7888 4.5479 4.5479 4.6733 4.6733 8.3763 8.3763 8.4144 8.4144 8.6329 8.6329 9.7692 9.7692 9.9155 9.9155 13.3373 13.3373 15.3646 15.3646 16.2121 16.2121 17.8946 17.8946 k = 0.4688 0.2706 0.3062 ( 1068 PWs) bands (ev): -6.9610 -6.9610 1.8094 1.8094 4.5200 4.5200 4.6711 4.6711 8.3716 8.3716 8.4132 8.4132 8.6302 8.6302 9.7236 9.7236 9.8939 9.8939 13.4168 13.4168 15.2711 15.2711 16.2692 16.2692 17.9428 17.9428 k = 0.4656 0.2688 0.3164 ( 1068 PWs) bands (ev): -6.9557 -6.9557 1.8320 1.8320 4.4892 4.4892 4.6689 4.6689 8.3663 8.3663 8.4120 8.4120 8.6274 8.6274 9.6762 9.6762 9.8707 9.8707 13.4982 13.4982 15.1805 15.1805 16.3316 16.3316 17.9851 17.9851 k = 0.4625 0.2670 0.3266 ( 1070 PWs) bands (ev): -6.9500 -6.9500 1.8567 1.8567 4.4557 4.4557 4.6667 4.6667 8.3605 8.3605 8.4108 8.4108 8.6244 8.6244 9.6276 9.6276 9.8460 9.8460 13.5788 13.5788 15.0951 15.0951 16.3990 16.3990 18.0207 18.0207 k = 0.4594 0.2652 0.3368 ( 1072 PWs) bands (ev): -6.9440 -6.9440 1.8834 1.8834 4.4196 4.4196 4.6645 4.6645 8.3541 8.3541 8.4098 8.4098 8.6214 8.6214 9.5782 9.5782 9.8198 9.8198 13.6558 13.6558 15.0182 15.0182 16.4714 16.4714 18.0493 18.0493 k = 0.4562 0.2634 0.3470 ( 1072 PWs) bands (ev): -6.9375 -6.9375 1.9121 1.9121 4.3811 4.3811 4.6622 4.6622 8.3471 8.3471 8.4088 8.4088 8.6184 8.6184 9.5285 9.5285 9.7925 9.7925 13.7249 13.7249 14.9537 14.9537 16.5483 16.5483 18.0708 18.0708 k = 0.4531 0.2616 0.3572 ( 1072 PWs) bands (ev): -6.9307 -6.9307 1.9428 1.9428 4.3404 4.3404 4.6599 4.6599 8.3395 8.3395 8.4078 8.4078 8.6155 8.6155 9.4789 9.4789 9.7639 9.7639 13.7811 13.7811 14.9064 14.9064 16.6296 16.6296 18.0853 18.0853 k = 0.4500 0.2598 0.3674 ( 1070 PWs) bands (ev): -6.9237 -6.9237 1.9755 1.9755 4.2976 4.2976 4.6576 4.6576 8.3314 8.3314 8.4069 8.4069 8.6126 8.6126 9.4297 9.4297 9.7343 9.7343 13.8188 13.8188 14.8819 14.8819 16.7149 16.7149 18.0931 18.0931 k = 0.4469 0.2580 0.3776 ( 1074 PWs) bands (ev): -6.9163 -6.9163 2.0101 2.0101 4.2528 4.2528 4.6552 4.6552 8.3227 8.3227 8.4060 8.4060 8.6099 8.6099 9.3810 9.3810 9.7037 9.7037 13.8333 13.8333 14.8843 14.8843 16.8042 16.8042 18.0949 18.0949 k = 0.4437 0.2562 0.3878 ( 1073 PWs) bands (ev): -6.9087 -6.9087 2.0465 2.0465 4.2061 4.2061 4.6528 4.6528 8.3135 8.3135 8.4053 8.4053 8.6074 8.6074 9.3332 9.3332 9.6724 9.6724 13.8233 13.8233 14.9147 14.9147 16.8969 16.8969 18.0912 18.0912 k = 0.4406 0.2544 0.3980 ( 1073 PWs) bands (ev): -6.9009 -6.9009 2.0848 2.0848 4.1578 4.1578 4.6505 4.6505 8.3037 8.3037 8.4045 8.4045 8.6052 8.6052 9.2865 9.2865 9.6405 9.6405 13.7914 13.7914 14.9700 14.9700 16.9930 16.9930 18.0829 18.0829 k = 0.4375 0.2526 0.4082 ( 1073 PWs) bands (ev): -6.8930 -6.8930 2.1249 2.1249 4.1080 4.1080 4.6482 4.6482 8.2934 8.2934 8.4039 8.4039 8.6032 8.6032 9.2410 9.2410 9.6079 9.6079 13.7423 13.7423 15.0451 15.0451 17.0922 17.0922 18.0708 18.0708 k = 0.4344 0.2508 0.4185 ( 1075 PWs) bands (ev): -6.8849 -6.8849 2.1667 2.1667 4.0570 4.0570 4.6459 4.6459 8.2823 8.2823 8.4034 8.4034 8.6014 8.6014 9.1969 9.1969 9.5749 9.5749 13.6809 13.6809 15.1344 15.1344 17.1940 17.1940 18.0560 18.0560 k = 0.4313 0.2490 0.4287 ( 1077 PWs) bands (ev): -6.8767 -6.8767 2.2101 2.2101 4.0048 4.0048 4.6436 4.6436 8.2707 8.2707 8.4030 8.4030 8.6000 8.6000 9.1544 9.1544 9.5415 9.5415 13.6113 13.6113 15.2333 15.2333 17.2983 17.2983 18.0393 18.0393 k = 0.4281 0.2472 0.4389 ( 1075 PWs) bands (ev): -6.8685 -6.8685 2.2552 2.2552 3.9517 3.9517 4.6415 4.6415 8.2586 8.2586 8.4027 8.4027 8.5991 8.5991 9.1136 9.1136 9.5079 9.5079 13.5365 13.5365 15.3380 15.3380 17.4047 17.4047 18.0219 18.0219 k = 0.4250 0.2454 0.4491 ( 1075 PWs) bands (ev): -6.8603 -6.8603 2.3018 2.3018 3.8978 3.8978 4.6394 4.6394 8.2458 8.2458 8.4026 8.4026 8.5986 8.5986 9.0746 9.0746 9.4740 9.4740 13.4585 13.4585 15.4456 15.4456 17.5129 17.5129 18.0049 18.0049 k = 0.4219 0.2436 0.4593 ( 1073 PWs) bands (ev): -6.8522 -6.8522 2.3499 2.3499 3.8435 3.8435 4.6376 4.6376 8.2324 8.2324 8.4026 8.4026 8.5984 8.5984 9.0376 9.0376 9.4400 9.4400 13.3788 13.3788 15.5539 15.5539 17.6225 17.6225 17.9894 17.9894 k = 0.4188 0.2418 0.4695 ( 1073 PWs) bands (ev): -6.8441 -6.8441 2.3994 2.3994 3.7888 3.7888 4.6358 4.6358 8.2184 8.2184 8.4027 8.4027 8.5987 8.5987 9.0025 9.0025 9.4059 9.4059 13.2984 13.2984 15.6607 15.6607 17.7331 17.7331 17.9768 17.9768 k = 0.4156 0.2400 0.4797 ( 1073 PWs) bands (ev): -6.8362 -6.8362 2.4502 2.4502 3.7340 3.7340 4.6341 4.6341 8.2037 8.2037 8.4030 8.4030 8.5994 8.5994 8.9696 8.9696 9.3719 9.3719 13.2178 13.2178 15.7641 15.7641 17.8438 17.8438 17.9688 17.9688 k = 0.4125 0.2382 0.4899 ( 1069 PWs) bands (ev): -6.8285 -6.8285 2.5022 2.5022 3.6793 3.6793 4.6327 4.6327 8.1886 8.1886 8.4035 8.4035 8.6006 8.6006 8.9389 8.9389 9.3379 9.3379 13.1378 13.1378 15.8625 15.8625 17.9439 17.9439 17.9770 17.9770 k = 0.4094 0.2364 0.5001 ( 1067 PWs) bands (ev): -6.8210 -6.8210 2.5552 2.5552 3.6250 3.6250 4.6315 4.6315 8.1729 8.1729 8.4042 8.4042 8.6021 8.6021 8.9104 8.9104 9.3040 9.3040 13.0585 13.0585 15.9542 15.9542 17.9625 17.9625 18.0730 18.0730 k = 0.4062 0.2345 0.5103 ( 1065 PWs) bands (ev): -6.8139 -6.8139 2.6091 2.6091 3.5713 3.5713 4.6306 4.6306 8.1566 8.1566 8.4050 8.4050 8.6040 8.6040 8.8843 8.8843 9.2703 9.2703 12.9802 12.9802 16.0378 16.0378 17.9733 17.9733 18.1838 18.1838 k = 0.4031 0.2327 0.5205 ( 1062 PWs) bands (ev): -6.8071 -6.8071 2.6638 2.6638 3.5186 3.5186 4.6299 4.6299 8.1399 8.1399 8.4059 8.4059 8.6061 8.6061 8.8606 8.8606 9.2369 9.2369 12.9033 12.9033 16.1120 16.1120 17.9913 17.9913 18.2947 18.2947 k = 0.4000 0.2309 0.5307 ( 1066 PWs) bands (ev): -6.8007 -6.8007 2.7188 2.7188 3.4672 3.4672 4.6294 4.6294 8.1225 8.1225 8.4070 8.4070 8.6083 8.6083 8.8394 8.8394 9.2036 9.2036 12.8277 12.8277 16.1759 16.1759 18.0176 18.0176 18.4046 18.4046 k = 0.3969 0.2291 0.5409 ( 1064 PWs) bands (ev): -6.7947 -6.7947 2.7738 2.7738 3.4177 3.4177 4.6293 4.6293 8.1049 8.1049 8.4083 8.4083 8.6107 8.6107 8.8208 8.8208 9.1707 9.1707 12.7536 12.7536 16.2291 16.2291 18.0521 18.0521 18.5130 18.5130 k = 0.3937 0.2273 0.5511 ( 1070 PWs) bands (ev): -6.7893 -6.7893 2.8282 2.8282 3.3708 3.3708 4.6296 4.6296 8.0869 8.0869 8.4096 8.4096 8.6129 8.6129 8.8047 8.8047 9.1381 9.1381 12.6812 12.6812 16.2716 16.2716 18.0942 18.0942 18.6195 18.6195 k = 0.3906 0.2255 0.5613 ( 1068 PWs) bands (ev): -6.7845 -6.7845 2.8807 2.8807 3.3277 3.3277 4.6302 4.6302 8.0687 8.0687 8.4113 8.4113 8.6150 8.6150 8.7916 8.7916 9.1060 9.1060 12.6105 12.6105 16.3039 16.3039 18.1427 18.1427 18.7237 18.7237 k = 0.3875 0.2237 0.5715 ( 1068 PWs) bands (ev): -6.7802 -6.7802 2.9291 2.9291 3.2907 3.2907 4.6312 4.6312 8.0503 8.0503 8.4130 8.4130 8.6168 8.6168 8.7814 8.7814 9.0743 9.0743 12.5416 12.5416 16.3269 16.3269 18.1959 18.1959 18.8250 18.8250 k = 0.3844 0.2219 0.5818 ( 1068 PWs) bands (ev): -6.7766 -6.7766 2.9694 2.9694 3.2641 3.2641 4.6327 4.6327 8.0317 8.0317 8.4148 8.4148 8.6180 8.6180 8.7742 8.7742 9.0432 9.0432 12.4745 12.4745 16.3418 16.3418 18.2520 18.2520 18.9232 18.9232 k = 0.3812 0.2201 0.5920 ( 1068 PWs) bands (ev): -6.7738 -6.7738 2.9945 2.9945 3.2548 3.2548 4.6346 4.6346 8.0131 8.0131 8.4169 8.4169 8.6186 8.6186 8.7699 8.7699 9.0126 9.0126 12.4094 12.4094 16.3498 16.3498 18.3088 18.3088 19.0177 19.0177 k = 0.3781 0.2183 0.6022 ( 1068 PWs) bands (ev): -6.7717 -6.7717 2.9990 2.9990 3.2685 3.2685 4.6369 4.6369 7.9944 7.9944 8.4190 8.4190 8.6185 8.6185 8.7686 8.7686 8.9826 8.9826 12.3464 12.3464 16.3521 16.3521 18.3644 18.3644 19.1084 19.1084 k = 0.3750 0.2165 0.6124 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.6250-0.0722 0.4082 ( 1063 PWs) bands (ev): -6.7704 -6.7704 2.9854 2.9854 3.3025 3.3025 4.6399 4.6399 7.9758 7.9758 8.4213 8.4213 8.6178 8.6178 8.7701 8.7701 8.9535 8.9535 12.2855 12.2855 16.3499 16.3499 18.4168 18.4168 19.1949 19.1949 k = 0.6196-0.0816 0.4082 ( 1063 PWs) bands (ev): -6.7691 -6.7691 2.9511 2.9511 3.3763 3.3763 4.6456 4.6456 7.9432 7.9432 8.4252 8.4252 8.6157 8.6157 8.7747 8.7747 8.9042 8.9042 12.1813 12.1813 16.3410 16.3410 18.5044 18.5044 19.3430 19.3430 k = 0.6141-0.0910 0.4082 ( 1063 PWs) bands (ev): -6.7684 -6.7684 2.9179 2.9179 3.4526 3.4526 4.6517 4.6517 7.9103 7.9103 8.4288 8.4288 8.6127 8.6127 8.7788 8.7788 8.8570 8.8570 12.0772 12.0772 16.3285 16.3285 18.5926 18.5926 19.4935 19.4935 k = 0.6087-0.1004 0.4082 ( 1063 PWs) bands (ev): -6.7682 -6.7682 2.8862 2.8862 3.5308 3.5308 4.6581 4.6581 7.8771 7.8771 8.4321 8.4321 8.6081 8.6081 8.7817 8.7817 8.8133 8.8133 11.9732 11.9732 16.3131 16.3131 18.6810 18.6810 19.6465 19.6465 k = 0.6033-0.1098 0.4082 ( 1059 PWs) bands (ev): -6.7685 -6.7685 2.8557 2.8557 3.6107 3.6107 4.6650 4.6650 7.8438 7.8438 8.4351 8.4351 8.6013 8.6013 8.7672 8.7672 8.7906 8.7906 11.8698 11.8698 16.2952 16.2952 18.7693 18.7693 19.8016 19.8016 k = 0.5978-0.1192 0.4082 ( 1059 PWs) bands (ev): -6.7691 -6.7691 2.8268 2.8268 3.6919 3.6919 4.6720 4.6720 7.8103 7.8103 8.4378 8.4378 8.5906 8.5906 8.7332 8.7332 8.7923 8.7923 11.7672 11.7672 16.2754 16.2754 18.8573 18.8573 19.9586 19.9586 k = 0.5924-0.1286 0.4082 ( 1067 PWs) bands (ev): -6.7701 -6.7701 2.7992 2.7992 3.7741 3.7741 4.6792 4.6792 7.7768 7.7768 8.4400 8.4400 8.5739 8.5739 8.7049 8.7049 8.7952 8.7952 11.6658 11.6658 16.2543 16.2543 18.9446 18.9446 20.1174 20.1174 k = 0.5870-0.1381 0.4082 ( 1065 PWs) bands (ev): -6.7713 -6.7713 2.7731 2.7731 3.8567 3.8567 4.6866 4.6866 7.7434 7.7434 8.4421 8.4421 8.5509 8.5509 8.6848 8.6848 8.7981 8.7981 11.5661 11.5661 16.2323 16.2323 19.0308 19.0308 20.2776 20.2776 k = 0.5815-0.1475 0.4082 ( 1059 PWs) bands (ev): -6.7727 -6.7727 2.7485 2.7485 3.9394 3.9394 4.6942 4.6942 7.7102 7.7102 8.4438 8.4438 8.5229 8.5229 8.6719 8.6719 8.8008 8.8008 11.4685 11.4685 16.2098 16.2098 19.1157 19.1157 20.4391 20.4391 k = 0.5761-0.1569 0.4082 ( 1063 PWs) bands (ev): -6.7743 -6.7743 2.7255 2.7255 4.0216 4.0216 4.7016 4.7016 7.6771 7.6771 8.4449 8.4449 8.4920 8.4920 8.6637 8.6637 8.8032 8.8032 11.3736 11.3736 16.1873 16.1873 19.1987 19.1987 20.6014 20.6014 k = 0.5707-0.1663 0.4082 ( 1063 PWs) bands (ev): -6.7760 -6.7760 2.7039 2.7039 4.1027 4.1027 4.7091 4.7091 7.6445 7.6445 8.4437 8.4437 8.4624 8.4624 8.6585 8.6585 8.8053 8.8053 11.2819 11.2819 16.1651 16.1651 19.2794 19.2794 20.7643 20.7643 k = 0.5652-0.1757 0.4082 ( 1063 PWs) bands (ev): -6.7778 -6.7778 2.6839 2.6839 4.1822 4.1822 4.7165 4.7165 7.6123 7.6123 8.4244 8.4244 8.4512 8.4512 8.6551 8.6551 8.8071 8.8071 11.1939 11.1939 16.1436 16.1436 19.3574 19.3574 20.9273 20.9273 k = 0.5598-0.1851 0.4082 ( 1063 PWs) bands (ev): -6.7796 -6.7796 2.6654 2.6654 4.2595 4.2595 4.7238 4.7238 7.5809 7.5809 8.3953 8.3953 8.4509 8.4509 8.6528 8.6528 8.8086 8.8086 11.1102 11.1102 16.1230 16.1230 19.4322 19.4322 21.0898 21.0898 k = 0.5543-0.1945 0.4082 ( 1064 PWs) bands (ev): -6.7814 -6.7814 2.6485 2.6485 4.3337 4.3337 4.7309 4.7309 7.5502 7.5502 8.3670 8.3670 8.4513 8.4513 8.6512 8.6512 8.8098 8.8098 11.0314 11.0314 16.1035 16.1035 19.5031 19.5031 21.2511 21.2511 k = 0.5489-0.2040 0.4082 ( 1064 PWs) bands (ev): -6.7832 -6.7832 2.6332 2.6332 4.4041 4.4041 4.7379 4.7379 7.5208 7.5208 8.3405 8.3405 8.4519 8.4519 8.6501 8.6501 8.8108 8.8108 10.9580 10.9580 16.0854 16.0854 19.5698 19.5698 21.4103 21.4103 k = 0.5435-0.2134 0.4082 ( 1064 PWs) bands (ev): -6.7848 -6.7848 2.6195 2.6195 4.4697 4.4697 4.7448 4.7448 7.4929 7.4929 8.3163 8.3163 8.4523 8.4523 8.6493 8.6493 8.8115 8.8115 10.8906 10.8906 16.0689 16.0689 19.6315 19.6315 21.5663 21.5663 k = 0.5380-0.2228 0.4082 ( 1064 PWs) bands (ev): -6.7863 -6.7863 2.6073 2.6073 4.5297 4.5297 4.7519 4.7519 7.4668 7.4668 8.2946 8.2946 8.4527 8.4527 8.6487 8.6487 8.8121 8.8121 10.8298 10.8298 16.0540 16.0540 19.6878 19.6878 21.7173 21.7173 k = 0.5326-0.2322 0.4082 ( 1064 PWs) bands (ev): -6.7877 -6.7877 2.5968 2.5968 4.5828 4.5828 4.7592 4.7592 7.4429 7.4429 8.2754 8.2754 8.4530 8.4530 8.6483 8.6483 8.8125 8.8125 10.7760 10.7760 16.0409 16.0409 19.7380 19.7380 21.8610 21.8610 k = 0.5272-0.2416 0.4082 ( 1064 PWs) bands (ev): -6.7889 -6.7889 2.5879 2.5879 4.6277 4.6277 4.7672 4.7672 7.4217 7.4217 8.2591 8.2591 8.4532 8.4532 8.6480 8.6480 8.8127 8.8127 10.7296 10.7296 16.0297 16.0297 19.7816 19.7816 21.9939 21.9939 k = 0.5217-0.2510 0.4082 ( 1064 PWs) bands (ev): -6.7900 -6.7900 2.5806 2.5806 4.6633 4.6633 4.7764 4.7764 7.4035 7.4035 8.2456 8.2456 8.4533 8.4533 8.6478 8.6478 8.8128 8.8128 10.6911 10.6911 16.0205 16.0205 19.8181 19.8181 22.1111 22.1111 k = 0.5163-0.2604 0.4082 ( 1064 PWs) bands (ev): -6.7908 -6.7908 2.5749 2.5749 4.6888 4.6888 4.7866 4.7866 7.3889 7.3889 8.2350 8.2350 8.4534 8.4534 8.6477 8.6477 8.8129 8.8129 10.6609 10.6609 16.0132 16.0132 19.8470 19.8470 22.2055 22.2055 k = 0.5109-0.2698 0.4082 ( 1074 PWs) bands (ev): -6.7914 -6.7914 2.5708 2.5708 4.7050 4.7050 4.7965 4.7965 7.3779 7.3779 8.2274 8.2274 8.4533 8.4533 8.6474 8.6474 8.8127 8.8127 10.6390 10.6390 16.0080 16.0080 19.8679 19.8679 22.2707 22.2707 k = 0.5054-0.2793 0.4082 ( 1074 PWs) bands (ev): -6.7917 -6.7917 2.5684 2.5684 4.7135 4.7135 4.8038 4.8038 7.3713 7.3713 8.2228 8.2228 8.4533 8.4533 8.6473 8.6473 8.8127 8.8127 10.6259 10.6259 16.0049 16.0049 19.8806 19.8806 22.3060 22.3060 k = 0.5000-0.2887 0.4082 ( 1090 PWs) bands (ev): -6.7919 -6.7919 2.5675 2.5675 4.7161 4.7161 4.8065 4.8065 7.3688 7.3688 8.2210 8.2210 8.4531 8.4531 8.6471 8.6471 8.8124 8.8124 10.6215 10.6215 16.0038 16.0038 19.8848 19.8848 22.3168 22.3168 Writing output data file CuCl.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 33.34s CPU 34.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 33.33s CPU 34.74s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 425 calls) cegterg : 30.30s CPU 31.03s WALL ( 458 calls) Called by sum_band: Called by *egterg: h_psi : 14.64s CPU 15.14s WALL ( 5537 calls) s_psi : 0.70s CPU 0.76s WALL ( 5537 calls) g_psi : 0.03s CPU 0.03s WALL ( 4654 calls) cdiaghg : 14.61s CPU 14.93s WALL ( 5079 calls) cegterg:over : 0.96s CPU 0.94s WALL ( 4654 calls) cegterg:upda : 0.60s CPU 0.64s WALL ( 4654 calls) cegterg:last : 0.42s CPU 0.39s WALL ( 1233 calls) cdiaghg:chol : 0.72s CPU 0.75s WALL ( 5079 calls) cdiaghg:inve : 0.39s CPU 0.35s WALL ( 5079 calls) cdiaghg:para : 1.03s CPU 0.90s WALL ( 10158 calls) Called by h_psi: h_psi:vloc : 12.99s CPU 13.39s WALL ( 5537 calls) h_psi:vnl : 1.63s CPU 1.74s WALL ( 5537 calls) add_vuspsi : 1.01s CPU 1.02s WALL ( 5537 calls) General routines calbec : 0.61s CPU 0.70s WALL ( 5537 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.30s CPU 12.72s WALL ( 369168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.08s WALL ( 850 calls) Parallel routines fft_scatter : 6.60s CPU 6.73s WALL ( 369191 calls) PWSCF : 0m41.09s CPU 1m12.67s WALL This run was terminated on: 17: 2:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=