Program PWSCF v.5.4.0 starts on 11Feb2017 at 5:44:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlHO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 17 5 1038 451 77 Max 31 18 6 1045 472 84 Sum 1107 633 199 37485 16527 2891 bravais-lattice index = 14 lattice parameter (alat) = 5.3508 a.u. unit-cell volume = 380.2074 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.350759 celldm(2)= 1.491118 celldm(3)= 1.664418 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.491118 0.000000 ) a(3) = ( 0.000000 0.000000 1.664418 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.670638 -0.000000 ) b(3) = ( 0.000000 0.000000 0.600811 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8322091 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8322091 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] s_v -s_v 3 -3 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 4 -4 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 524 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0019084 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0019084 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0019084 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0019084 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0019084 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0019084 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0019084 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0019084 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0019084 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0019084 k( 12) = ( 0.0982143 -0.0000000 -0.0000000), wk = 0.0019084 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0019084 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0019084 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0019084 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0019084 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0019084 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0019084 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0019084 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0019084 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0019084 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0019084 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0019084 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0019084 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0019084 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0019084 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0019084 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0019084 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0019084 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0019084 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0019084 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0019084 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0019084 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0019084 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0019084 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0019084 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0019084 k( 38) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0019084 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0019084 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0019084 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0019084 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0019084 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0019084 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0019084 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0019084 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0019084 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0019084 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0019084 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0019084 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0019084 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0019084 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0019084 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0019084 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0019084 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0019084 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0019084 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019084 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019084 k( 59) = ( 0.5000000 0.0088242 -0.0000000), wk = 0.0019084 k( 60) = ( 0.5000000 0.0176484 -0.0000000), wk = 0.0019084 k( 61) = ( 0.5000000 0.0264725 -0.0000000), wk = 0.0019084 k( 62) = ( 0.5000000 0.0352967 -0.0000000), wk = 0.0019084 k( 63) = ( 0.5000000 0.0441209 -0.0000000), wk = 0.0019084 k( 64) = ( 0.5000000 0.0529451 -0.0000000), wk = 0.0019084 k( 65) = ( 0.5000000 0.0617693 -0.0000000), wk = 0.0019084 k( 66) = ( 0.5000000 0.0705935 -0.0000000), wk = 0.0019084 k( 67) = ( 0.5000000 0.0794176 -0.0000000), wk = 0.0019084 k( 68) = ( 0.5000000 0.0882418 -0.0000000), wk = 0.0019084 k( 69) = ( 0.5000000 0.0970660 -0.0000000), wk = 0.0019084 k( 70) = ( 0.5000000 0.1058902 -0.0000000), wk = 0.0019084 k( 71) = ( 0.5000000 0.1147144 -0.0000000), wk = 0.0019084 k( 72) = ( 0.5000000 0.1235386 -0.0000000), wk = 0.0019084 k( 73) = ( 0.5000000 0.1323627 -0.0000000), wk = 0.0019084 k( 74) = ( 0.5000000 0.1411869 -0.0000000), wk = 0.0019084 k( 75) = ( 0.5000000 0.1500111 -0.0000000), wk = 0.0019084 k( 76) = ( 0.5000000 0.1588353 -0.0000000), wk = 0.0019084 k( 77) = ( 0.5000000 0.1676595 -0.0000000), wk = 0.0019084 k( 78) = ( 0.5000000 0.1764836 -0.0000000), wk = 0.0019084 k( 79) = ( 0.5000000 0.1853078 -0.0000000), wk = 0.0019084 k( 80) = ( 0.5000000 0.1941320 -0.0000000), wk = 0.0019084 k( 81) = ( 0.5000000 0.2029562 -0.0000000), wk = 0.0019084 k( 82) = ( 0.5000000 0.2117804 -0.0000000), wk = 0.0019084 k( 83) = ( 0.5000000 0.2206046 -0.0000000), wk = 0.0019084 k( 84) = ( 0.5000000 0.2294287 -0.0000000), wk = 0.0019084 k( 85) = ( 0.5000000 0.2382529 -0.0000000), wk = 0.0019084 k( 86) = ( 0.5000000 0.2470771 -0.0000000), wk = 0.0019084 k( 87) = ( 0.5000000 0.2559013 -0.0000000), wk = 0.0019084 k( 88) = ( 0.5000000 0.2647255 -0.0000000), wk = 0.0019084 k( 89) = ( 0.5000000 0.2735496 -0.0000000), wk = 0.0019084 k( 90) = ( 0.5000000 0.2823738 -0.0000000), wk = 0.0019084 k( 91) = ( 0.5000000 0.2911980 -0.0000000), wk = 0.0019084 k( 92) = ( 0.5000000 0.3000222 -0.0000000), wk = 0.0019084 k( 93) = ( 0.5000000 0.3088464 -0.0000000), wk = 0.0019084 k( 94) = ( 0.5000000 0.3176706 -0.0000000), wk = 0.0019084 k( 95) = ( 0.5000000 0.3264947 -0.0000000), wk = 0.0019084 k( 96) = ( 0.5000000 0.3353189 -0.0000000), wk = 0.0019084 k( 97) = ( 0.5000000 0.3353189 -0.0000000), wk = 0.0019084 k( 98) = ( 0.4910714 0.3353189 -0.0000000), wk = 0.0019084 k( 99) = ( 0.4821429 0.3353189 -0.0000000), wk = 0.0019084 k( 100) = ( 0.4732143 0.3353189 -0.0000000), wk = 0.0019084 k( 101) = ( 0.4642857 0.3353189 -0.0000000), wk = 0.0019084 k( 102) = ( 0.4553571 0.3353189 -0.0000000), wk = 0.0019084 k( 103) = ( 0.4464286 0.3353189 -0.0000000), wk = 0.0019084 k( 104) = ( 0.4375000 0.3353189 -0.0000000), wk = 0.0019084 k( 105) = ( 0.4285714 0.3353189 -0.0000000), wk = 0.0019084 k( 106) = ( 0.4196429 0.3353189 -0.0000000), wk = 0.0019084 k( 107) = ( 0.4107143 0.3353189 -0.0000000), wk = 0.0019084 k( 108) = ( 0.4017857 0.3353189 -0.0000000), wk = 0.0019084 k( 109) = ( 0.3928571 0.3353189 -0.0000000), wk = 0.0019084 k( 110) = ( 0.3839286 0.3353189 -0.0000000), wk = 0.0019084 k( 111) = ( 0.3750000 0.3353189 -0.0000000), wk = 0.0019084 k( 112) = ( 0.3660714 0.3353189 -0.0000000), wk = 0.0019084 k( 113) = ( 0.3571429 0.3353189 -0.0000000), wk = 0.0019084 k( 114) = ( 0.3482143 0.3353189 -0.0000000), wk = 0.0019084 k( 115) = ( 0.3392857 0.3353189 -0.0000000), wk = 0.0019084 k( 116) = ( 0.3303571 0.3353189 -0.0000000), wk = 0.0019084 k( 117) = ( 0.3214286 0.3353189 -0.0000000), wk = 0.0019084 k( 118) = ( 0.3125000 0.3353189 -0.0000000), wk = 0.0019084 k( 119) = ( 0.3035714 0.3353189 -0.0000000), wk = 0.0019084 k( 120) = ( 0.2946429 0.3353189 -0.0000000), wk = 0.0019084 k( 121) = ( 0.2857143 0.3353189 -0.0000000), wk = 0.0019084 k( 122) = ( 0.2767857 0.3353189 -0.0000000), wk = 0.0019084 k( 123) = ( 0.2678571 0.3353189 -0.0000000), wk = 0.0019084 k( 124) = ( 0.2589286 0.3353189 -0.0000000), wk = 0.0019084 k( 125) = ( 0.2500000 0.3353189 -0.0000000), wk = 0.0019084 k( 126) = ( 0.2410714 0.3353189 -0.0000000), wk = 0.0019084 k( 127) = ( 0.2321429 0.3353189 -0.0000000), wk = 0.0019084 k( 128) = ( 0.2232143 0.3353189 -0.0000000), wk = 0.0019084 k( 129) = ( 0.2142857 0.3353189 -0.0000000), wk = 0.0019084 k( 130) = ( 0.2053571 0.3353189 -0.0000000), wk = 0.0019084 k( 131) = ( 0.1964286 0.3353189 -0.0000000), wk = 0.0019084 k( 132) = ( 0.1875000 0.3353189 -0.0000000), wk = 0.0019084 k( 133) = ( 0.1785714 0.3353189 -0.0000000), wk = 0.0019084 k( 134) = ( 0.1696429 0.3353189 -0.0000000), wk = 0.0019084 k( 135) = ( 0.1607143 0.3353189 -0.0000000), wk = 0.0019084 k( 136) = ( 0.1517857 0.3353189 -0.0000000), wk = 0.0019084 k( 137) = ( 0.1428571 0.3353189 -0.0000000), wk = 0.0019084 k( 138) = ( 0.1339286 0.3353189 -0.0000000), wk = 0.0019084 k( 139) = ( 0.1250000 0.3353189 -0.0000000), wk = 0.0019084 k( 140) = ( 0.1160714 0.3353189 -0.0000000), wk = 0.0019084 k( 141) = ( 0.1071429 0.3353189 -0.0000000), wk = 0.0019084 k( 142) = ( 0.0982143 0.3353189 -0.0000000), wk = 0.0019084 k( 143) = ( 0.0892857 0.3353189 -0.0000000), wk = 0.0019084 k( 144) = ( 0.0803571 0.3353189 -0.0000000), wk = 0.0019084 k( 145) = ( 0.0714286 0.3353189 -0.0000000), wk = 0.0019084 k( 146) = ( 0.0625000 0.3353189 -0.0000000), wk = 0.0019084 k( 147) = ( 0.0535714 0.3353189 -0.0000000), wk = 0.0019084 k( 148) = ( 0.0446429 0.3353189 -0.0000000), wk = 0.0019084 k( 149) = ( 0.0357143 0.3353189 -0.0000000), wk = 0.0019084 k( 150) = ( 0.0267857 0.3353189 -0.0000000), wk = 0.0019084 k( 151) = ( 0.0178571 0.3353189 -0.0000000), wk = 0.0019084 k( 152) = ( 0.0089286 0.3353189 -0.0000000), wk = 0.0019084 k( 153) = ( 0.0000000 0.3353189 -0.0000000), wk = 0.0019084 k( 154) = ( 0.0000000 0.3353189 -0.0000000), wk = 0.0019084 k( 155) = ( 0.0000000 0.3264947 -0.0000000), wk = 0.0019084 k( 156) = ( 0.0000000 0.3176706 -0.0000000), wk = 0.0019084 k( 157) = ( 0.0000000 0.3088464 -0.0000000), wk = 0.0019084 k( 158) = ( 0.0000000 0.3000222 -0.0000000), wk = 0.0019084 k( 159) = ( 0.0000000 0.2911980 -0.0000000), wk = 0.0019084 k( 160) = ( 0.0000000 0.2823738 -0.0000000), wk = 0.0019084 k( 161) = ( 0.0000000 0.2735496 -0.0000000), wk = 0.0019084 k( 162) = ( 0.0000000 0.2647255 -0.0000000), wk = 0.0019084 k( 163) = ( 0.0000000 0.2559013 -0.0000000), wk = 0.0019084 k( 164) = ( 0.0000000 0.2470771 -0.0000000), wk = 0.0019084 k( 165) = ( 0.0000000 0.2382529 -0.0000000), wk = 0.0019084 k( 166) = ( 0.0000000 0.2294287 -0.0000000), wk = 0.0019084 k( 167) = ( 0.0000000 0.2206046 -0.0000000), wk = 0.0019084 k( 168) = ( 0.0000000 0.2117804 -0.0000000), wk = 0.0019084 k( 169) = ( 0.0000000 0.2029562 -0.0000000), wk = 0.0019084 k( 170) = ( 0.0000000 0.1941320 -0.0000000), wk = 0.0019084 k( 171) = ( 0.0000000 0.1853078 -0.0000000), wk = 0.0019084 k( 172) = ( 0.0000000 0.1764836 -0.0000000), wk = 0.0019084 k( 173) = ( 0.0000000 0.1676595 -0.0000000), wk = 0.0019084 k( 174) = ( 0.0000000 0.1588353 -0.0000000), wk = 0.0019084 k( 175) = ( 0.0000000 0.1500111 -0.0000000), wk = 0.0019084 k( 176) = ( 0.0000000 0.1411869 -0.0000000), wk = 0.0019084 k( 177) = ( 0.0000000 0.1323627 -0.0000000), wk = 0.0019084 k( 178) = ( 0.0000000 0.1235386 -0.0000000), wk = 0.0019084 k( 179) = ( 0.0000000 0.1147144 -0.0000000), wk = 0.0019084 k( 180) = ( 0.0000000 0.1058902 -0.0000000), wk = 0.0019084 k( 181) = ( 0.0000000 0.0970660 -0.0000000), wk = 0.0019084 k( 182) = ( 0.0000000 0.0882418 -0.0000000), wk = 0.0019084 k( 183) = ( 0.0000000 0.0794176 -0.0000000), wk = 0.0019084 k( 184) = ( 0.0000000 0.0705935 -0.0000000), wk = 0.0019084 k( 185) = ( 0.0000000 0.0617693 -0.0000000), wk = 0.0019084 k( 186) = ( 0.0000000 0.0529451 -0.0000000), wk = 0.0019084 k( 187) = ( 0.0000000 0.0441209 -0.0000000), wk = 0.0019084 k( 188) = ( 0.0000000 0.0352967 -0.0000000), wk = 0.0019084 k( 189) = ( 0.0000000 0.0264725 -0.0000000), wk = 0.0019084 k( 190) = ( 0.0000000 0.0176484 -0.0000000), wk = 0.0019084 k( 191) = ( 0.0000000 0.0088242 -0.0000000), wk = 0.0019084 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 194) = ( 0.0000000 0.0000000 0.0088354), wk = 0.0019084 k( 195) = ( 0.0000000 0.0000000 0.0176709), wk = 0.0019084 k( 196) = ( 0.0000000 0.0000000 0.0265063), wk = 0.0019084 k( 197) = ( 0.0000000 0.0000000 0.0353418), wk = 0.0019084 k( 198) = ( 0.0000000 0.0000000 0.0441772), wk = 0.0019084 k( 199) = ( 0.0000000 0.0000000 0.0530127), wk = 0.0019084 k( 200) = ( 0.0000000 0.0000000 0.0618481), wk = 0.0019084 k( 201) = ( 0.0000000 0.0000000 0.0706836), wk = 0.0019084 k( 202) = ( 0.0000000 0.0000000 0.0795190), wk = 0.0019084 k( 203) = ( 0.0000000 0.0000000 0.0883545), wk = 0.0019084 k( 204) = ( 0.0000000 0.0000000 0.0971899), wk = 0.0019084 k( 205) = ( 0.0000000 0.0000000 0.1060254), wk = 0.0019084 k( 206) = ( 0.0000000 0.0000000 0.1148608), wk = 0.0019084 k( 207) = ( 0.0000000 0.0000000 0.1236963), wk = 0.0019084 k( 208) = ( 0.0000000 0.0000000 0.1325317), wk = 0.0019084 k( 209) = ( 0.0000000 0.0000000 0.1413672), wk = 0.0019084 k( 210) = ( 0.0000000 0.0000000 0.1502026), wk = 0.0019084 k( 211) = ( 0.0000000 0.0000000 0.1590381), wk = 0.0019084 k( 212) = ( 0.0000000 0.0000000 0.1678735), wk = 0.0019084 k( 213) = ( 0.0000000 0.0000000 0.1767090), wk = 0.0019084 k( 214) = ( 0.0000000 0.0000000 0.1855444), wk = 0.0019084 k( 215) = ( 0.0000000 0.0000000 0.1943799), wk = 0.0019084 k( 216) = ( 0.0000000 0.0000000 0.2032153), wk = 0.0019084 k( 217) = ( 0.0000000 0.0000000 0.2120508), wk = 0.0019084 k( 218) = ( 0.0000000 0.0000000 0.2208862), wk = 0.0019084 k( 219) = ( 0.0000000 0.0000000 0.2297217), wk = 0.0019084 k( 220) = ( 0.0000000 0.0000000 0.2385571), wk = 0.0019084 k( 221) = ( 0.0000000 0.0000000 0.2473926), wk = 0.0019084 k( 222) = ( 0.0000000 0.0000000 0.2562280), wk = 0.0019084 k( 223) = ( 0.0000000 0.0000000 0.2650635), wk = 0.0019084 k( 224) = ( 0.0000000 0.0000000 0.2738989), wk = 0.0019084 k( 225) = ( 0.0000000 0.0000000 0.2827344), wk = 0.0019084 k( 226) = ( 0.0000000 0.0000000 0.2915698), wk = 0.0019084 k( 227) = ( 0.0000000 0.0000000 0.3004053), wk = 0.0019084 k( 228) = ( 0.0000000 0.0000000 0.3004053), wk = 0.0019084 k( 229) = ( 0.0089286 -0.0000000 0.3004053), wk = 0.0019084 k( 230) = ( 0.0178571 -0.0000000 0.3004053), wk = 0.0019084 k( 231) = ( 0.0267857 -0.0000000 0.3004053), wk = 0.0019084 k( 232) = ( 0.0357143 -0.0000000 0.3004053), wk = 0.0019084 k( 233) = ( 0.0446429 -0.0000000 0.3004053), wk = 0.0019084 k( 234) = ( 0.0535714 -0.0000000 0.3004053), wk = 0.0019084 k( 235) = ( 0.0625000 -0.0000000 0.3004053), wk = 0.0019084 k( 236) = ( 0.0714286 -0.0000000 0.3004053), wk = 0.0019084 k( 237) = ( 0.0803571 -0.0000000 0.3004053), wk = 0.0019084 k( 238) = ( 0.0892857 -0.0000000 0.3004053), wk = 0.0019084 k( 239) = ( 0.0982143 -0.0000000 0.3004053), wk = 0.0019084 k( 240) = ( 0.1071429 -0.0000000 0.3004053), wk = 0.0019084 k( 241) = ( 0.1160714 -0.0000000 0.3004053), wk = 0.0019084 k( 242) = ( 0.1250000 -0.0000000 0.3004053), wk = 0.0019084 k( 243) = ( 0.1339286 -0.0000000 0.3004053), wk = 0.0019084 k( 244) = ( 0.1428571 -0.0000000 0.3004053), wk = 0.0019084 k( 245) = ( 0.1517857 -0.0000000 0.3004053), wk = 0.0019084 k( 246) = ( 0.1607143 -0.0000000 0.3004053), wk = 0.0019084 k( 247) = ( 0.1696429 -0.0000000 0.3004053), wk = 0.0019084 k( 248) = ( 0.1785714 -0.0000000 0.3004053), wk = 0.0019084 k( 249) = ( 0.1875000 -0.0000000 0.3004053), wk = 0.0019084 k( 250) = ( 0.1964286 -0.0000000 0.3004053), wk = 0.0019084 k( 251) = ( 0.2053571 -0.0000000 0.3004053), wk = 0.0019084 k( 252) = ( 0.2142857 -0.0000000 0.3004053), wk = 0.0019084 k( 253) = ( 0.2232143 -0.0000000 0.3004053), wk = 0.0019084 k( 254) = ( 0.2321429 -0.0000000 0.3004053), wk = 0.0019084 k( 255) = ( 0.2410714 -0.0000000 0.3004053), wk = 0.0019084 k( 256) = ( 0.2500000 -0.0000000 0.3004053), wk = 0.0019084 k( 257) = ( 0.2589286 -0.0000000 0.3004053), wk = 0.0019084 k( 258) = ( 0.2678571 -0.0000000 0.3004053), wk = 0.0019084 k( 259) = ( 0.2767857 -0.0000000 0.3004053), wk = 0.0019084 k( 260) = ( 0.2857143 -0.0000000 0.3004053), wk = 0.0019084 k( 261) = ( 0.2946429 -0.0000000 0.3004053), wk = 0.0019084 k( 262) = ( 0.3035714 -0.0000000 0.3004053), wk = 0.0019084 k( 263) = ( 0.3125000 -0.0000000 0.3004053), wk = 0.0019084 k( 264) = ( 0.3214286 -0.0000000 0.3004053), wk = 0.0019084 k( 265) = ( 0.3303571 -0.0000000 0.3004053), wk = 0.0019084 k( 266) = ( 0.3392857 -0.0000000 0.3004053), wk = 0.0019084 k( 267) = ( 0.3482143 -0.0000000 0.3004053), wk = 0.0019084 k( 268) = ( 0.3571429 -0.0000000 0.3004053), wk = 0.0019084 k( 269) = ( 0.3660714 -0.0000000 0.3004053), wk = 0.0019084 k( 270) = ( 0.3750000 -0.0000000 0.3004053), wk = 0.0019084 k( 271) = ( 0.3839286 -0.0000000 0.3004053), wk = 0.0019084 k( 272) = ( 0.3928571 -0.0000000 0.3004053), wk = 0.0019084 k( 273) = ( 0.4017857 -0.0000000 0.3004053), wk = 0.0019084 k( 274) = ( 0.4107143 -0.0000000 0.3004053), wk = 0.0019084 k( 275) = ( 0.4196429 -0.0000000 0.3004053), wk = 0.0019084 k( 276) = ( 0.4285714 -0.0000000 0.3004053), wk = 0.0019084 k( 277) = ( 0.4375000 -0.0000000 0.3004053), wk = 0.0019084 k( 278) = ( 0.4464286 -0.0000000 0.3004053), wk = 0.0019084 k( 279) = ( 0.4553571 -0.0000000 0.3004053), wk = 0.0019084 k( 280) = ( 0.4642857 -0.0000000 0.3004053), wk = 0.0019084 k( 281) = ( 0.4732143 -0.0000000 0.3004053), wk = 0.0019084 k( 282) = ( 0.4821429 -0.0000000 0.3004053), wk = 0.0019084 k( 283) = ( 0.4910714 -0.0000000 0.3004053), wk = 0.0019084 k( 284) = ( 0.5000000 -0.0000000 0.3004053), wk = 0.0019084 k( 285) = ( 0.5000000 -0.0000000 0.3004053), wk = 0.0019084 k( 286) = ( 0.5000000 0.0088242 0.3004053), wk = 0.0019084 k( 287) = ( 0.5000000 0.0176484 0.3004053), wk = 0.0019084 k( 288) = ( 0.5000000 0.0264725 0.3004053), wk = 0.0019084 k( 289) = ( 0.5000000 0.0352967 0.3004053), wk = 0.0019084 k( 290) = ( 0.5000000 0.0441209 0.3004053), wk = 0.0019084 k( 291) = ( 0.5000000 0.0529451 0.3004053), wk = 0.0019084 k( 292) = ( 0.5000000 0.0617693 0.3004053), wk = 0.0019084 k( 293) = ( 0.5000000 0.0705935 0.3004053), wk = 0.0019084 k( 294) = ( 0.5000000 0.0794176 0.3004053), wk = 0.0019084 k( 295) = ( 0.5000000 0.0882418 0.3004053), wk = 0.0019084 k( 296) = ( 0.5000000 0.0970660 0.3004053), wk = 0.0019084 k( 297) = ( 0.5000000 0.1058902 0.3004053), wk = 0.0019084 k( 298) = ( 0.5000000 0.1147144 0.3004053), wk = 0.0019084 k( 299) = ( 0.5000000 0.1235386 0.3004053), wk = 0.0019084 k( 300) = ( 0.5000000 0.1323627 0.3004053), wk = 0.0019084 k( 301) = ( 0.5000000 0.1411869 0.3004053), wk = 0.0019084 k( 302) = ( 0.5000000 0.1500111 0.3004053), wk = 0.0019084 k( 303) = ( 0.5000000 0.1588353 0.3004053), wk = 0.0019084 k( 304) = ( 0.5000000 0.1676595 0.3004053), wk = 0.0019084 k( 305) = ( 0.5000000 0.1764836 0.3004053), wk = 0.0019084 k( 306) = ( 0.5000000 0.1853078 0.3004053), wk = 0.0019084 k( 307) = ( 0.5000000 0.1941320 0.3004053), wk = 0.0019084 k( 308) = ( 0.5000000 0.2029562 0.3004053), wk = 0.0019084 k( 309) = ( 0.5000000 0.2117804 0.3004053), wk = 0.0019084 k( 310) = ( 0.5000000 0.2206046 0.3004053), wk = 0.0019084 k( 311) = ( 0.5000000 0.2294287 0.3004053), wk = 0.0019084 k( 312) = ( 0.5000000 0.2382529 0.3004053), wk = 0.0019084 k( 313) = ( 0.5000000 0.2470771 0.3004053), wk = 0.0019084 k( 314) = ( 0.5000000 0.2559013 0.3004053), wk = 0.0019084 k( 315) = ( 0.5000000 0.2647255 0.3004053), wk = 0.0019084 k( 316) = ( 0.5000000 0.2735496 0.3004053), wk = 0.0019084 k( 317) = ( 0.5000000 0.2823738 0.3004053), wk = 0.0019084 k( 318) = ( 0.5000000 0.2911980 0.3004053), wk = 0.0019084 k( 319) = ( 0.5000000 0.3000222 0.3004053), wk = 0.0019084 k( 320) = ( 0.5000000 0.3088464 0.3004053), wk = 0.0019084 k( 321) = ( 0.5000000 0.3176706 0.3004053), wk = 0.0019084 k( 322) = ( 0.5000000 0.3264947 0.3004053), wk = 0.0019084 k( 323) = ( 0.5000000 0.3353189 0.3004053), wk = 0.0019084 k( 324) = ( 0.5000000 0.3353189 0.3004053), wk = 0.0019084 k( 325) = ( 0.4910714 0.3353189 0.3004053), wk = 0.0019084 k( 326) = ( 0.4821429 0.3353189 0.3004053), wk = 0.0019084 k( 327) = ( 0.4732143 0.3353189 0.3004053), wk = 0.0019084 k( 328) = ( 0.4642857 0.3353189 0.3004053), wk = 0.0019084 k( 329) = ( 0.4553571 0.3353189 0.3004053), wk = 0.0019084 k( 330) = ( 0.4464286 0.3353189 0.3004053), wk = 0.0019084 k( 331) = ( 0.4375000 0.3353189 0.3004053), wk = 0.0019084 k( 332) = ( 0.4285714 0.3353189 0.3004053), wk = 0.0019084 k( 333) = ( 0.4196429 0.3353189 0.3004053), wk = 0.0019084 k( 334) = ( 0.4107143 0.3353189 0.3004053), wk = 0.0019084 k( 335) = ( 0.4017857 0.3353189 0.3004053), wk = 0.0019084 k( 336) = ( 0.3928571 0.3353189 0.3004053), wk = 0.0019084 k( 337) = ( 0.3839286 0.3353189 0.3004053), wk = 0.0019084 k( 338) = ( 0.3750000 0.3353189 0.3004053), wk = 0.0019084 k( 339) = ( 0.3660714 0.3353189 0.3004053), wk = 0.0019084 k( 340) = ( 0.3571429 0.3353189 0.3004053), wk = 0.0019084 k( 341) = ( 0.3482143 0.3353189 0.3004053), wk = 0.0019084 k( 342) = ( 0.3392857 0.3353189 0.3004053), wk = 0.0019084 k( 343) = ( 0.3303571 0.3353189 0.3004053), wk = 0.0019084 k( 344) = ( 0.3214286 0.3353189 0.3004053), wk = 0.0019084 k( 345) = ( 0.3125000 0.3353189 0.3004053), wk = 0.0019084 k( 346) = ( 0.3035714 0.3353189 0.3004053), wk = 0.0019084 k( 347) = ( 0.2946429 0.3353189 0.3004053), wk = 0.0019084 k( 348) = ( 0.2857143 0.3353189 0.3004053), wk = 0.0019084 k( 349) = ( 0.2767857 0.3353189 0.3004053), wk = 0.0019084 k( 350) = ( 0.2678571 0.3353189 0.3004053), wk = 0.0019084 k( 351) = ( 0.2589286 0.3353189 0.3004053), wk = 0.0019084 k( 352) = ( 0.2500000 0.3353189 0.3004053), wk = 0.0019084 k( 353) = ( 0.2410714 0.3353189 0.3004053), wk = 0.0019084 k( 354) = ( 0.2321429 0.3353189 0.3004053), wk = 0.0019084 k( 355) = ( 0.2232143 0.3353189 0.3004053), wk = 0.0019084 k( 356) = ( 0.2142857 0.3353189 0.3004053), wk = 0.0019084 k( 357) = ( 0.2053571 0.3353189 0.3004053), wk = 0.0019084 k( 358) = ( 0.1964286 0.3353189 0.3004053), wk = 0.0019084 k( 359) = ( 0.1875000 0.3353189 0.3004053), wk = 0.0019084 k( 360) = ( 0.1785714 0.3353189 0.3004053), wk = 0.0019084 k( 361) = ( 0.1696429 0.3353189 0.3004053), wk = 0.0019084 k( 362) = ( 0.1607143 0.3353189 0.3004053), wk = 0.0019084 k( 363) = ( 0.1517857 0.3353189 0.3004053), wk = 0.0019084 k( 364) = ( 0.1428571 0.3353189 0.3004053), wk = 0.0019084 k( 365) = ( 0.1339286 0.3353189 0.3004053), wk = 0.0019084 k( 366) = ( 0.1250000 0.3353189 0.3004053), wk = 0.0019084 k( 367) = ( 0.1160714 0.3353189 0.3004053), wk = 0.0019084 k( 368) = ( 0.1071429 0.3353189 0.3004053), wk = 0.0019084 k( 369) = ( 0.0982143 0.3353189 0.3004053), wk = 0.0019084 k( 370) = ( 0.0892857 0.3353189 0.3004053), wk = 0.0019084 k( 371) = ( 0.0803571 0.3353189 0.3004053), wk = 0.0019084 k( 372) = ( 0.0714286 0.3353189 0.3004053), wk = 0.0019084 k( 373) = ( 0.0625000 0.3353189 0.3004053), wk = 0.0019084 k( 374) = ( 0.0535714 0.3353189 0.3004053), wk = 0.0019084 k( 375) = ( 0.0446429 0.3353189 0.3004053), wk = 0.0019084 k( 376) = ( 0.0357143 0.3353189 0.3004053), wk = 0.0019084 k( 377) = ( 0.0267857 0.3353189 0.3004053), wk = 0.0019084 k( 378) = ( 0.0178571 0.3353189 0.3004053), wk = 0.0019084 k( 379) = ( 0.0089286 0.3353189 0.3004053), wk = 0.0019084 k( 380) = ( 0.0000000 0.3353189 0.3004053), wk = 0.0019084 k( 381) = ( 0.0000000 0.3353189 0.3004053), wk = 0.0019084 k( 382) = ( 0.0000000 0.3264947 0.3004053), wk = 0.0019084 k( 383) = ( 0.0000000 0.3176706 0.3004053), wk = 0.0019084 k( 384) = ( 0.0000000 0.3088464 0.3004053), wk = 0.0019084 k( 385) = ( 0.0000000 0.3000222 0.3004053), wk = 0.0019084 k( 386) = ( 0.0000000 0.2911980 0.3004053), wk = 0.0019084 k( 387) = ( 0.0000000 0.2823738 0.3004053), wk = 0.0019084 k( 388) = ( 0.0000000 0.2735496 0.3004053), wk = 0.0019084 k( 389) = ( 0.0000000 0.2647255 0.3004053), wk = 0.0019084 k( 390) = ( 0.0000000 0.2559013 0.3004053), wk = 0.0019084 k( 391) = ( 0.0000000 0.2470771 0.3004053), wk = 0.0019084 k( 392) = ( 0.0000000 0.2382529 0.3004053), wk = 0.0019084 k( 393) = ( 0.0000000 0.2294287 0.3004053), wk = 0.0019084 k( 394) = ( 0.0000000 0.2206046 0.3004053), wk = 0.0019084 k( 395) = ( 0.0000000 0.2117804 0.3004053), wk = 0.0019084 k( 396) = ( 0.0000000 0.2029562 0.3004053), wk = 0.0019084 k( 397) = ( 0.0000000 0.1941320 0.3004053), wk = 0.0019084 k( 398) = ( 0.0000000 0.1853078 0.3004053), wk = 0.0019084 k( 399) = ( 0.0000000 0.1764836 0.3004053), wk = 0.0019084 k( 400) = ( 0.0000000 0.1676595 0.3004053), wk = 0.0019084 k( 401) = ( 0.0000000 0.1588353 0.3004053), wk = 0.0019084 k( 402) = ( 0.0000000 0.1500111 0.3004053), wk = 0.0019084 k( 403) = ( 0.0000000 0.1411869 0.3004053), wk = 0.0019084 k( 404) = ( 0.0000000 0.1323627 0.3004053), wk = 0.0019084 k( 405) = ( 0.0000000 0.1235386 0.3004053), wk = 0.0019084 k( 406) = ( 0.0000000 0.1147144 0.3004053), wk = 0.0019084 k( 407) = ( 0.0000000 0.1058902 0.3004053), wk = 0.0019084 k( 408) = ( 0.0000000 0.0970660 0.3004053), wk = 0.0019084 k( 409) = ( 0.0000000 0.0882418 0.3004053), wk = 0.0019084 k( 410) = ( 0.0000000 0.0794176 0.3004053), wk = 0.0019084 k( 411) = ( 0.0000000 0.0705935 0.3004053), wk = 0.0019084 k( 412) = ( 0.0000000 0.0617693 0.3004053), wk = 0.0019084 k( 413) = ( 0.0000000 0.0529451 0.3004053), wk = 0.0019084 k( 414) = ( 0.0000000 0.0441209 0.3004053), wk = 0.0019084 k( 415) = ( 0.0000000 0.0352967 0.3004053), wk = 0.0019084 k( 416) = ( 0.0000000 0.0264725 0.3004053), wk = 0.0019084 k( 417) = ( 0.0000000 0.0176484 0.3004053), wk = 0.0019084 k( 418) = ( 0.0000000 0.0088242 0.3004053), wk = 0.0019084 k( 419) = ( 0.0000000 0.0000000 0.3004053), wk = 0.0019084 k( 420) = ( 0.0000000 0.3353189 -0.0000000), wk = 0.0019084 k( 421) = ( 0.0000000 0.3353189 0.0088354), wk = 0.0019084 k( 422) = ( 0.0000000 0.3353189 0.0176709), wk = 0.0019084 k( 423) = ( 0.0000000 0.3353189 0.0265063), wk = 0.0019084 k( 424) = ( 0.0000000 0.3353189 0.0353418), wk = 0.0019084 k( 425) = ( 0.0000000 0.3353189 0.0441772), wk = 0.0019084 k( 426) = ( 0.0000000 0.3353189 0.0530127), wk = 0.0019084 k( 427) = ( 0.0000000 0.3353189 0.0618481), wk = 0.0019084 k( 428) = ( 0.0000000 0.3353189 0.0706836), wk = 0.0019084 k( 429) = ( 0.0000000 0.3353189 0.0795190), wk = 0.0019084 k( 430) = ( 0.0000000 0.3353189 0.0883545), wk = 0.0019084 k( 431) = ( 0.0000000 0.3353189 0.0971899), wk = 0.0019084 k( 432) = ( 0.0000000 0.3353189 0.1060254), wk = 0.0019084 k( 433) = ( 0.0000000 0.3353189 0.1148608), wk = 0.0019084 k( 434) = ( 0.0000000 0.3353189 0.1236963), wk = 0.0019084 k( 435) = ( 0.0000000 0.3353189 0.1325317), wk = 0.0019084 k( 436) = ( 0.0000000 0.3353189 0.1413672), wk = 0.0019084 k( 437) = ( 0.0000000 0.3353189 0.1502026), wk = 0.0019084 k( 438) = ( 0.0000000 0.3353189 0.1590381), wk = 0.0019084 k( 439) = ( 0.0000000 0.3353189 0.1678735), wk = 0.0019084 k( 440) = ( 0.0000000 0.3353189 0.1767090), wk = 0.0019084 k( 441) = ( 0.0000000 0.3353189 0.1855444), wk = 0.0019084 k( 442) = ( 0.0000000 0.3353189 0.1943799), wk = 0.0019084 k( 443) = ( 0.0000000 0.3353189 0.2032153), wk = 0.0019084 k( 444) = ( 0.0000000 0.3353189 0.2120508), wk = 0.0019084 k( 445) = ( 0.0000000 0.3353189 0.2208862), wk = 0.0019084 k( 446) = ( 0.0000000 0.3353189 0.2297217), wk = 0.0019084 k( 447) = ( 0.0000000 0.3353189 0.2385571), wk = 0.0019084 k( 448) = ( 0.0000000 0.3353189 0.2473926), wk = 0.0019084 k( 449) = ( 0.0000000 0.3353189 0.2562280), wk = 0.0019084 k( 450) = ( 0.0000000 0.3353189 0.2650635), wk = 0.0019084 k( 451) = ( 0.0000000 0.3353189 0.2738989), wk = 0.0019084 k( 452) = ( 0.0000000 0.3353189 0.2827344), wk = 0.0019084 k( 453) = ( 0.0000000 0.3353189 0.2915698), wk = 0.0019084 k( 454) = ( 0.0000000 0.3353189 0.3004053), wk = 0.0019084 k( 455) = ( 0.5000000 -0.0000000 0.3004053), wk = 0.0019084 k( 456) = ( 0.5000000 -0.0000000 0.2915698), wk = 0.0019084 k( 457) = ( 0.5000000 -0.0000000 0.2827344), wk = 0.0019084 k( 458) = ( 0.5000000 -0.0000000 0.2738989), wk = 0.0019084 k( 459) = ( 0.5000000 -0.0000000 0.2650635), wk = 0.0019084 k( 460) = ( 0.5000000 -0.0000000 0.2562280), wk = 0.0019084 k( 461) = ( 0.5000000 -0.0000000 0.2473926), wk = 0.0019084 k( 462) = ( 0.5000000 -0.0000000 0.2385571), wk = 0.0019084 k( 463) = ( 0.5000000 -0.0000000 0.2297217), wk = 0.0019084 k( 464) = ( 0.5000000 -0.0000000 0.2208862), wk = 0.0019084 k( 465) = ( 0.5000000 -0.0000000 0.2120508), wk = 0.0019084 k( 466) = ( 0.5000000 -0.0000000 0.2032153), wk = 0.0019084 k( 467) = ( 0.5000000 -0.0000000 0.1943799), wk = 0.0019084 k( 468) = ( 0.5000000 -0.0000000 0.1855444), wk = 0.0019084 k( 469) = ( 0.5000000 -0.0000000 0.1767090), wk = 0.0019084 k( 470) = ( 0.5000000 -0.0000000 0.1678735), wk = 0.0019084 k( 471) = ( 0.5000000 -0.0000000 0.1590381), wk = 0.0019084 k( 472) = ( 0.5000000 -0.0000000 0.1502026), wk = 0.0019084 k( 473) = ( 0.5000000 -0.0000000 0.1413672), wk = 0.0019084 k( 474) = ( 0.5000000 -0.0000000 0.1325317), wk = 0.0019084 k( 475) = ( 0.5000000 -0.0000000 0.1236963), wk = 0.0019084 k( 476) = ( 0.5000000 -0.0000000 0.1148608), wk = 0.0019084 k( 477) = ( 0.5000000 -0.0000000 0.1060254), wk = 0.0019084 k( 478) = ( 0.5000000 -0.0000000 0.0971899), wk = 0.0019084 k( 479) = ( 0.5000000 -0.0000000 0.0883545), wk = 0.0019084 k( 480) = ( 0.5000000 -0.0000000 0.0795190), wk = 0.0019084 k( 481) = ( 0.5000000 -0.0000000 0.0706836), wk = 0.0019084 k( 482) = ( 0.5000000 -0.0000000 0.0618481), wk = 0.0019084 k( 483) = ( 0.5000000 -0.0000000 0.0530127), wk = 0.0019084 k( 484) = ( 0.5000000 -0.0000000 0.0441772), wk = 0.0019084 k( 485) = ( 0.5000000 -0.0000000 0.0353418), wk = 0.0019084 k( 486) = ( 0.5000000 -0.0000000 0.0265063), wk = 0.0019084 k( 487) = ( 0.5000000 -0.0000000 0.0176709), wk = 0.0019084 k( 488) = ( 0.5000000 -0.0000000 0.0088354), wk = 0.0019084 k( 489) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019084 k( 490) = ( 0.5000000 0.3353189 -0.0000000), wk = 0.0019084 k( 491) = ( 0.5000000 0.3353189 0.0088354), wk = 0.0019084 k( 492) = ( 0.5000000 0.3353189 0.0176709), wk = 0.0019084 k( 493) = ( 0.5000000 0.3353189 0.0265063), wk = 0.0019084 k( 494) = ( 0.5000000 0.3353189 0.0353418), wk = 0.0019084 k( 495) = ( 0.5000000 0.3353189 0.0441772), wk = 0.0019084 k( 496) = ( 0.5000000 0.3353189 0.0530127), wk = 0.0019084 k( 497) = ( 0.5000000 0.3353189 0.0618481), wk = 0.0019084 k( 498) = ( 0.5000000 0.3353189 0.0706836), wk = 0.0019084 k( 499) = ( 0.5000000 0.3353189 0.0795190), wk = 0.0019084 k( 500) = ( 0.5000000 0.3353189 0.0883545), wk = 0.0019084 k( 501) = ( 0.5000000 0.3353189 0.0971899), wk = 0.0019084 k( 502) = ( 0.5000000 0.3353189 0.1060254), wk = 0.0019084 k( 503) = ( 0.5000000 0.3353189 0.1148608), wk = 0.0019084 k( 504) = ( 0.5000000 0.3353189 0.1236963), wk = 0.0019084 k( 505) = ( 0.5000000 0.3353189 0.1325317), wk = 0.0019084 k( 506) = ( 0.5000000 0.3353189 0.1413672), wk = 0.0019084 k( 507) = ( 0.5000000 0.3353189 0.1502026), wk = 0.0019084 k( 508) = ( 0.5000000 0.3353189 0.1590381), wk = 0.0019084 k( 509) = ( 0.5000000 0.3353189 0.1678735), wk = 0.0019084 k( 510) = ( 0.5000000 0.3353189 0.1767090), wk = 0.0019084 k( 511) = ( 0.5000000 0.3353189 0.1855444), wk = 0.0019084 k( 512) = ( 0.5000000 0.3353189 0.1943799), wk = 0.0019084 k( 513) = ( 0.5000000 0.3353189 0.2032153), wk = 0.0019084 k( 514) = ( 0.5000000 0.3353189 0.2120508), wk = 0.0019084 k( 515) = ( 0.5000000 0.3353189 0.2208862), wk = 0.0019084 k( 516) = ( 0.5000000 0.3353189 0.2297217), wk = 0.0019084 k( 517) = ( 0.5000000 0.3353189 0.2385571), wk = 0.0019084 k( 518) = ( 0.5000000 0.3353189 0.2473926), wk = 0.0019084 k( 519) = ( 0.5000000 0.3353189 0.2562280), wk = 0.0019084 k( 520) = ( 0.5000000 0.3353189 0.2650635), wk = 0.0019084 k( 521) = ( 0.5000000 0.3353189 0.2738989), wk = 0.0019084 k( 522) = ( 0.5000000 0.3353189 0.2827344), wk = 0.0019084 k( 523) = ( 0.5000000 0.3353189 0.2915698), wk = 0.0019084 k( 524) = ( 0.5000000 0.3353189 0.3004053), wk = 0.0019084 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0019084 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0019084 k( 4) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0019084 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0019084 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0019084 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0019084 k( 8) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0019084 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0019084 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0019084 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0019084 k( 12) = ( 0.0982143 0.0000000 -0.0000000), wk = 0.0019084 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0019084 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0019084 k( 15) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0019084 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0019084 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0019084 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0019084 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0019084 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0019084 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0019084 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0019084 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0019084 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0019084 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0019084 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0019084 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0019084 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0019084 k( 29) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0019084 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0019084 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0019084 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0019084 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0019084 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0019084 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0019084 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0019084 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0019084 k( 38) = ( 0.3303571 -0.0000000 0.0000000), wk = 0.0019084 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0019084 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0019084 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0019084 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0019084 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0019084 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0019084 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0019084 k( 46) = ( 0.4017857 -0.0000000 0.0000000), wk = 0.0019084 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0019084 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0019084 k( 49) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0019084 k( 50) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0019084 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0019084 k( 52) = ( 0.4553571 -0.0000000 0.0000000), wk = 0.0019084 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0019084 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0019084 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0019084 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0019084 k( 57) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019084 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019084 k( 59) = ( 0.5000000 0.0131579 -0.0000000), wk = 0.0019084 k( 60) = ( 0.5000000 0.0263158 -0.0000000), wk = 0.0019084 k( 61) = ( 0.5000000 0.0394737 -0.0000000), wk = 0.0019084 k( 62) = ( 0.5000000 0.0526316 -0.0000000), wk = 0.0019084 k( 63) = ( 0.5000000 0.0657895 -0.0000000), wk = 0.0019084 k( 64) = ( 0.5000000 0.0789474 -0.0000000), wk = 0.0019084 k( 65) = ( 0.5000000 0.0921053 -0.0000000), wk = 0.0019084 k( 66) = ( 0.5000000 0.1052632 -0.0000000), wk = 0.0019084 k( 67) = ( 0.5000000 0.1184210 -0.0000000), wk = 0.0019084 k( 68) = ( 0.5000000 0.1315790 -0.0000000), wk = 0.0019084 k( 69) = ( 0.5000000 0.1447368 -0.0000000), wk = 0.0019084 k( 70) = ( 0.5000000 0.1578947 -0.0000000), wk = 0.0019084 k( 71) = ( 0.5000000 0.1710526 -0.0000000), wk = 0.0019084 k( 72) = ( 0.5000000 0.1842105 -0.0000000), wk = 0.0019084 k( 73) = ( 0.5000000 0.1973684 -0.0000000), wk = 0.0019084 k( 74) = ( 0.5000000 0.2105263 -0.0000000), wk = 0.0019084 k( 75) = ( 0.5000000 0.2236842 -0.0000000), wk = 0.0019084 k( 76) = ( 0.5000000 0.2368421 -0.0000000), wk = 0.0019084 k( 77) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0019084 k( 78) = ( 0.5000000 0.2631579 -0.0000000), wk = 0.0019084 k( 79) = ( 0.5000000 0.2763158 -0.0000000), wk = 0.0019084 k( 80) = ( 0.5000000 0.2894737 -0.0000000), wk = 0.0019084 k( 81) = ( 0.5000000 0.3026316 -0.0000000), wk = 0.0019084 k( 82) = ( 0.5000000 0.3157895 -0.0000000), wk = 0.0019084 k( 83) = ( 0.5000000 0.3289474 -0.0000000), wk = 0.0019084 k( 84) = ( 0.5000000 0.3421053 -0.0000000), wk = 0.0019084 k( 85) = ( 0.5000000 0.3552632 -0.0000000), wk = 0.0019084 k( 86) = ( 0.5000000 0.3684211 -0.0000000), wk = 0.0019084 k( 87) = ( 0.5000000 0.3815789 -0.0000000), wk = 0.0019084 k( 88) = ( 0.5000000 0.3947368 -0.0000000), wk = 0.0019084 k( 89) = ( 0.5000000 0.4078947 -0.0000000), wk = 0.0019084 k( 90) = ( 0.5000000 0.4210526 0.0000000), wk = 0.0019084 k( 91) = ( 0.5000000 0.4342105 -0.0000000), wk = 0.0019084 k( 92) = ( 0.5000000 0.4473684 -0.0000000), wk = 0.0019084 k( 93) = ( 0.5000000 0.4605263 0.0000000), wk = 0.0019084 k( 94) = ( 0.5000000 0.4736842 -0.0000000), wk = 0.0019084 k( 95) = ( 0.5000000 0.4868421 -0.0000000), wk = 0.0019084 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019084 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019084 k( 98) = ( 0.4910714 0.5000000 -0.0000000), wk = 0.0019084 k( 99) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0019084 k( 100) = ( 0.4732143 0.5000000 -0.0000000), wk = 0.0019084 k( 101) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0019084 k( 102) = ( 0.4553571 0.5000000 -0.0000000), wk = 0.0019084 k( 103) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0019084 k( 104) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0019084 k( 105) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0019084 k( 106) = ( 0.4196429 0.5000000 0.0000000), wk = 0.0019084 k( 107) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0019084 k( 108) = ( 0.4017857 0.5000000 -0.0000000), wk = 0.0019084 k( 109) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0019084 k( 110) = ( 0.3839286 0.5000000 -0.0000000), wk = 0.0019084 k( 111) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0019084 k( 112) = ( 0.3660714 0.5000000 0.0000000), wk = 0.0019084 k( 113) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0019084 k( 114) = ( 0.3482143 0.5000000 0.0000000), wk = 0.0019084 k( 115) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0019084 k( 116) = ( 0.3303571 0.5000000 -0.0000000), wk = 0.0019084 k( 117) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0019084 k( 118) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0019084 k( 119) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0019084 k( 120) = ( 0.2946429 0.5000000 0.0000000), wk = 0.0019084 k( 121) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0019084 k( 122) = ( 0.2767857 0.5000000 0.0000000), wk = 0.0019084 k( 123) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0019084 k( 124) = ( 0.2589286 0.5000000 0.0000000), wk = 0.0019084 k( 125) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0019084 k( 126) = ( 0.2410714 0.5000000 0.0000000), wk = 0.0019084 k( 127) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0019084 k( 128) = ( 0.2232143 0.5000000 0.0000000), wk = 0.0019084 k( 129) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0019084 k( 130) = ( 0.2053571 0.5000000 0.0000000), wk = 0.0019084 k( 131) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0019084 k( 132) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0019084 k( 133) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0019084 k( 134) = ( 0.1696429 0.5000000 0.0000000), wk = 0.0019084 k( 135) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0019084 k( 136) = ( 0.1517857 0.5000000 -0.0000000), wk = 0.0019084 k( 137) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0019084 k( 138) = ( 0.1339286 0.5000000 0.0000000), wk = 0.0019084 k( 139) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0019084 k( 140) = ( 0.1160714 0.5000000 0.0000000), wk = 0.0019084 k( 141) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0019084 k( 142) = ( 0.0982143 0.5000000 0.0000000), wk = 0.0019084 k( 143) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0019084 k( 144) = ( 0.0803571 0.5000000 0.0000000), wk = 0.0019084 k( 145) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0019084 k( 146) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0019084 k( 147) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0019084 k( 148) = ( 0.0446429 0.5000000 -0.0000000), wk = 0.0019084 k( 149) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0019084 k( 150) = ( 0.0267857 0.5000000 -0.0000000), wk = 0.0019084 k( 151) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0019084 k( 152) = ( 0.0089286 0.5000000 0.0000000), wk = 0.0019084 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019084 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019084 k( 155) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0019084 k( 156) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0019084 k( 157) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0019084 k( 158) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0019084 k( 159) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0019084 k( 160) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0019084 k( 161) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0019084 k( 162) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0019084 k( 163) = ( 0.0000000 0.3815790 0.0000000), wk = 0.0019084 k( 164) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0019084 k( 165) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0019084 k( 166) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0019084 k( 167) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0019084 k( 168) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0019084 k( 169) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0019084 k( 170) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0019084 k( 171) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0019084 k( 172) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0019084 k( 173) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0019084 k( 174) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0019084 k( 175) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0019084 k( 176) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0019084 k( 177) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0019084 k( 178) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0019084 k( 179) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0019084 k( 180) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0019084 k( 181) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0019084 k( 182) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0019084 k( 183) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0019084 k( 184) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0019084 k( 185) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0019084 k( 186) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0019084 k( 187) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0019084 k( 188) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0019084 k( 189) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0019084 k( 190) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0019084 k( 191) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0019084 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019084 k( 194) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0019084 k( 195) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0019084 k( 196) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0019084 k( 197) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0019084 k( 198) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0019084 k( 199) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0019084 k( 200) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0019084 k( 201) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0019084 k( 202) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0019084 k( 203) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0019084 k( 204) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0019084 k( 205) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0019084 k( 206) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0019084 k( 207) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0019084 k( 208) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0019084 k( 209) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0019084 k( 210) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019084 k( 211) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0019084 k( 212) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0019084 k( 213) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0019084 k( 214) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0019084 k( 215) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0019084 k( 216) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0019084 k( 217) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0019084 k( 218) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0019084 k( 219) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0019084 k( 220) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0019084 k( 221) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0019084 k( 222) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0019084 k( 223) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0019084 k( 224) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0019084 k( 225) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0019084 k( 226) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0019084 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019084 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019084 k( 229) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0019084 k( 230) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0019084 k( 231) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0019084 k( 232) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0019084 k( 233) = ( 0.0446429 -0.0000000 0.5000000), wk = 0.0019084 k( 234) = ( 0.0535714 -0.0000000 0.5000000), wk = 0.0019084 k( 235) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0019084 k( 236) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0019084 k( 237) = ( 0.0803571 -0.0000000 0.5000000), wk = 0.0019084 k( 238) = ( 0.0892857 -0.0000000 0.5000000), wk = 0.0019084 k( 239) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0019084 k( 240) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0019084 k( 241) = ( 0.1160714 -0.0000000 0.5000000), wk = 0.0019084 k( 242) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0019084 k( 243) = ( 0.1339286 -0.0000000 0.5000000), wk = 0.0019084 k( 244) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0019084 k( 245) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0019084 k( 246) = ( 0.1607143 -0.0000000 0.5000000), wk = 0.0019084 k( 247) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0019084 k( 248) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0019084 k( 249) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0019084 k( 250) = ( 0.1964286 -0.0000000 0.5000000), wk = 0.0019084 k( 251) = ( 0.2053571 -0.0000000 0.5000000), wk = 0.0019084 k( 252) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0019084 k( 253) = ( 0.2232143 -0.0000000 0.5000000), wk = 0.0019084 k( 254) = ( 0.2321429 -0.0000000 0.5000000), wk = 0.0019084 k( 255) = ( 0.2410714 -0.0000000 0.5000000), wk = 0.0019084 k( 256) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0019084 k( 257) = ( 0.2589286 -0.0000000 0.5000000), wk = 0.0019084 k( 258) = ( 0.2678571 -0.0000000 0.5000000), wk = 0.0019084 k( 259) = ( 0.2767857 -0.0000000 0.5000000), wk = 0.0019084 k( 260) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0019084 k( 261) = ( 0.2946429 -0.0000000 0.5000000), wk = 0.0019084 k( 262) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0019084 k( 263) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0019084 k( 264) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0019084 k( 265) = ( 0.3303571 -0.0000000 0.5000000), wk = 0.0019084 k( 266) = ( 0.3392857 -0.0000000 0.5000000), wk = 0.0019084 k( 267) = ( 0.3482143 -0.0000000 0.5000000), wk = 0.0019084 k( 268) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0019084 k( 269) = ( 0.3660714 -0.0000000 0.5000000), wk = 0.0019084 k( 270) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0019084 k( 271) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0019084 k( 272) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0019084 k( 273) = ( 0.4017857 -0.0000000 0.5000000), wk = 0.0019084 k( 274) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0019084 k( 275) = ( 0.4196429 -0.0000000 0.5000000), wk = 0.0019084 k( 276) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0019084 k( 277) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0019084 k( 278) = ( 0.4464286 -0.0000000 0.5000000), wk = 0.0019084 k( 279) = ( 0.4553571 -0.0000000 0.5000000), wk = 0.0019084 k( 280) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0019084 k( 281) = ( 0.4732143 -0.0000000 0.5000000), wk = 0.0019084 k( 282) = ( 0.4821429 -0.0000000 0.5000000), wk = 0.0019084 k( 283) = ( 0.4910714 -0.0000000 0.5000000), wk = 0.0019084 k( 284) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019084 k( 285) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019084 k( 286) = ( 0.5000000 0.0131579 0.5000000), wk = 0.0019084 k( 287) = ( 0.5000000 0.0263158 0.5000000), wk = 0.0019084 k( 288) = ( 0.5000000 0.0394737 0.5000000), wk = 0.0019084 k( 289) = ( 0.5000000 0.0526316 0.5000000), wk = 0.0019084 k( 290) = ( 0.5000000 0.0657895 0.5000000), wk = 0.0019084 k( 291) = ( 0.5000000 0.0789474 0.5000000), wk = 0.0019084 k( 292) = ( 0.5000000 0.0921053 0.5000000), wk = 0.0019084 k( 293) = ( 0.5000000 0.1052632 0.5000000), wk = 0.0019084 k( 294) = ( 0.5000000 0.1184210 0.5000000), wk = 0.0019084 k( 295) = ( 0.5000000 0.1315790 0.5000000), wk = 0.0019084 k( 296) = ( 0.5000000 0.1447368 0.5000000), wk = 0.0019084 k( 297) = ( 0.5000000 0.1578947 0.5000000), wk = 0.0019084 k( 298) = ( 0.5000000 0.1710526 0.5000000), wk = 0.0019084 k( 299) = ( 0.5000000 0.1842105 0.5000000), wk = 0.0019084 k( 300) = ( 0.5000000 0.1973684 0.5000000), wk = 0.0019084 k( 301) = ( 0.5000000 0.2105263 0.5000000), wk = 0.0019084 k( 302) = ( 0.5000000 0.2236842 0.5000000), wk = 0.0019084 k( 303) = ( 0.5000000 0.2368421 0.5000000), wk = 0.0019084 k( 304) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0019084 k( 305) = ( 0.5000000 0.2631579 0.5000000), wk = 0.0019084 k( 306) = ( 0.5000000 0.2763158 0.5000000), wk = 0.0019084 k( 307) = ( 0.5000000 0.2894737 0.5000000), wk = 0.0019084 k( 308) = ( 0.5000000 0.3026316 0.5000000), wk = 0.0019084 k( 309) = ( 0.5000000 0.3157895 0.5000000), wk = 0.0019084 k( 310) = ( 0.5000000 0.3289474 0.5000000), wk = 0.0019084 k( 311) = ( 0.5000000 0.3421053 0.5000000), wk = 0.0019084 k( 312) = ( 0.5000000 0.3552632 0.5000000), wk = 0.0019084 k( 313) = ( 0.5000000 0.3684211 0.5000000), wk = 0.0019084 k( 314) = ( 0.5000000 0.3815789 0.5000000), wk = 0.0019084 k( 315) = ( 0.5000000 0.3947368 0.5000000), wk = 0.0019084 k( 316) = ( 0.5000000 0.4078947 0.5000000), wk = 0.0019084 k( 317) = ( 0.5000000 0.4210526 0.5000000), wk = 0.0019084 k( 318) = ( 0.5000000 0.4342105 0.5000000), wk = 0.0019084 k( 319) = ( 0.5000000 0.4473684 0.5000000), wk = 0.0019084 k( 320) = ( 0.5000000 0.4605263 0.5000000), wk = 0.0019084 k( 321) = ( 0.5000000 0.4736842 0.5000000), wk = 0.0019084 k( 322) = ( 0.5000000 0.4868421 0.5000000), wk = 0.0019084 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019084 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019084 k( 325) = ( 0.4910714 0.5000000 0.5000000), wk = 0.0019084 k( 326) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0019084 k( 327) = ( 0.4732143 0.5000000 0.5000000), wk = 0.0019084 k( 328) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0019084 k( 329) = ( 0.4553571 0.5000000 0.5000000), wk = 0.0019084 k( 330) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0019084 k( 331) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0019084 k( 332) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0019084 k( 333) = ( 0.4196429 0.5000000 0.5000000), wk = 0.0019084 k( 334) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0019084 k( 335) = ( 0.4017857 0.5000000 0.5000000), wk = 0.0019084 k( 336) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0019084 k( 337) = ( 0.3839286 0.5000000 0.5000000), wk = 0.0019084 k( 338) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0019084 k( 339) = ( 0.3660714 0.5000000 0.5000000), wk = 0.0019084 k( 340) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0019084 k( 341) = ( 0.3482143 0.5000000 0.5000000), wk = 0.0019084 k( 342) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0019084 k( 343) = ( 0.3303571 0.5000000 0.5000000), wk = 0.0019084 k( 344) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0019084 k( 345) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0019084 k( 346) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0019084 k( 347) = ( 0.2946429 0.5000000 0.5000000), wk = 0.0019084 k( 348) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0019084 k( 349) = ( 0.2767857 0.5000000 0.5000000), wk = 0.0019084 k( 350) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0019084 k( 351) = ( 0.2589286 0.5000000 0.5000000), wk = 0.0019084 k( 352) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0019084 k( 353) = ( 0.2410714 0.5000000 0.5000000), wk = 0.0019084 k( 354) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0019084 k( 355) = ( 0.2232143 0.5000000 0.5000000), wk = 0.0019084 k( 356) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0019084 k( 357) = ( 0.2053571 0.5000000 0.5000000), wk = 0.0019084 k( 358) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0019084 k( 359) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0019084 k( 360) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0019084 k( 361) = ( 0.1696429 0.5000000 0.5000000), wk = 0.0019084 k( 362) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0019084 k( 363) = ( 0.1517857 0.5000000 0.5000000), wk = 0.0019084 k( 364) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0019084 k( 365) = ( 0.1339286 0.5000000 0.5000000), wk = 0.0019084 k( 366) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0019084 k( 367) = ( 0.1160714 0.5000000 0.5000000), wk = 0.0019084 k( 368) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0019084 k( 369) = ( 0.0982143 0.5000000 0.5000000), wk = 0.0019084 k( 370) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0019084 k( 371) = ( 0.0803571 0.5000000 0.5000000), wk = 0.0019084 k( 372) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0019084 k( 373) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0019084 k( 374) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0019084 k( 375) = ( 0.0446429 0.5000000 0.5000000), wk = 0.0019084 k( 376) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0019084 k( 377) = ( 0.0267857 0.5000000 0.5000000), wk = 0.0019084 k( 378) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0019084 k( 379) = ( 0.0089286 0.5000000 0.5000000), wk = 0.0019084 k( 380) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019084 k( 381) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019084 k( 382) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0019084 k( 383) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0019084 k( 384) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0019084 k( 385) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0019084 k( 386) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0019084 k( 387) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0019084 k( 388) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0019084 k( 389) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0019084 k( 390) = ( 0.0000000 0.3815790 0.5000000), wk = 0.0019084 k( 391) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0019084 k( 392) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0019084 k( 393) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0019084 k( 394) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0019084 k( 395) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0019084 k( 396) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0019084 k( 397) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0019084 k( 398) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0019084 k( 399) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0019084 k( 400) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0019084 k( 401) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0019084 k( 402) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0019084 k( 403) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0019084 k( 404) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0019084 k( 405) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0019084 k( 406) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0019084 k( 407) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0019084 k( 408) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0019084 k( 409) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0019084 k( 410) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0019084 k( 411) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0019084 k( 412) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0019084 k( 413) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0019084 k( 414) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0019084 k( 415) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0019084 k( 416) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0019084 k( 417) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0019084 k( 418) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0019084 k( 419) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019084 k( 420) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019084 k( 421) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0019084 k( 422) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0019084 k( 423) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0019084 k( 424) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0019084 k( 425) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0019084 k( 426) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0019084 k( 427) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0019084 k( 428) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0019084 k( 429) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0019084 k( 430) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0019084 k( 431) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0019084 k( 432) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0019084 k( 433) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0019084 k( 434) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0019084 k( 435) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0019084 k( 436) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0019084 k( 437) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0019084 k( 438) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0019084 k( 439) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0019084 k( 440) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0019084 k( 441) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0019084 k( 442) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0019084 k( 443) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0019084 k( 444) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0019084 k( 445) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0019084 k( 446) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0019084 k( 447) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0019084 k( 448) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0019084 k( 449) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0019084 k( 450) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0019084 k( 451) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0019084 k( 452) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0019084 k( 453) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0019084 k( 454) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019084 k( 455) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019084 k( 456) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0019084 k( 457) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0019084 k( 458) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0019084 k( 459) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0019084 k( 460) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0019084 k( 461) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0019084 k( 462) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0019084 k( 463) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0019084 k( 464) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0019084 k( 465) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0019084 k( 466) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0019084 k( 467) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0019084 k( 468) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0019084 k( 469) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0019084 k( 470) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0019084 k( 471) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0019084 k( 472) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0019084 k( 473) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0019084 k( 474) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0019084 k( 475) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0019084 k( 476) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0019084 k( 477) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0019084 k( 478) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0019084 k( 479) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0019084 k( 480) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0019084 k( 481) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0019084 k( 482) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0019084 k( 483) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0019084 k( 484) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0019084 k( 485) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0019084 k( 486) = ( 0.5000000 0.0000000 0.0441176), wk = 0.0019084 k( 487) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0019084 k( 488) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0019084 k( 489) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019084 k( 490) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019084 k( 491) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0019084 k( 492) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0019084 k( 493) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0019084 k( 494) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0019084 k( 495) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0019084 k( 496) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0019084 k( 497) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0019084 k( 498) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0019084 k( 499) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0019084 k( 500) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0019084 k( 501) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0019084 k( 502) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0019084 k( 503) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0019084 k( 504) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0019084 k( 505) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0019084 k( 506) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0019084 k( 507) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0019084 k( 508) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0019084 k( 509) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0019084 k( 510) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0019084 k( 511) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0019084 k( 512) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0019084 k( 513) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0019084 k( 514) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0019084 k( 515) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0019084 k( 516) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0019084 k( 517) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0019084 k( 518) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0019084 k( 519) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0019084 k( 520) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0019084 k( 521) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0019084 k( 522) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0019084 k( 523) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0019084 k( 524) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019084 Dense grid: 37485 G-vectors FFT dimensions: ( 32, 45, 54) Smooth grid: 16527 G-vectors FFT dimensions: ( 24, 36, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 132, 40) NL pseudopotentials 0.13 Mb ( 66, 128) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 1045) G-vector shells 0.00 Mb ( 534) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 132, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.16 Mb ( 128, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlHO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.4 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.8 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.1 secs Computing kpt #: 24 total cpu time spent up to now is 10.5 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.4 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.8 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.6 secs Computing kpt #: 32 total cpu time spent up to now is 14.0 secs Computing kpt #: 33 total cpu time spent up to now is 14.5 secs Computing kpt #: 34 total cpu time spent up to now is 15.0 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.8 secs Computing kpt #: 37 total cpu time spent up to now is 16.2 secs Computing kpt #: 38 total cpu time spent up to now is 16.7 secs Computing kpt #: 39 total cpu time spent up to now is 17.1 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.6 secs Computing kpt #: 43 total cpu time spent up to now is 19.1 secs Computing kpt #: 44 total cpu time spent up to now is 19.6 secs Computing kpt #: 45 total cpu time spent up to now is 20.1 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 22.0 secs Computing kpt #: 50 total cpu time spent up to now is 22.5 secs Computing kpt #: 51 total cpu time spent up to now is 23.0 secs Computing kpt #: 52 total cpu time spent up to now is 23.5 secs Computing kpt #: 53 total cpu time spent up to now is 24.0 secs Computing kpt #: 54 total cpu time spent up to now is 24.4 secs Computing kpt #: 55 total cpu time spent up to now is 24.9 secs Computing kpt #: 56 total cpu time spent up to now is 25.3 secs Computing kpt #: 57 total cpu time spent up to now is 25.7 secs Computing kpt #: 58 total cpu time spent up to now is 26.1 secs Computing kpt #: 59 total cpu time spent up to now is 26.5 secs Computing kpt #: 60 total cpu time spent up to now is 26.9 secs Computing kpt #: 61 total cpu time spent up to now is 27.3 secs Computing kpt #: 62 total cpu time spent up to now is 27.7 secs Computing kpt #: 63 total cpu time spent up to now is 28.1 secs Computing kpt #: 64 total cpu time spent up to now is 28.5 secs Computing kpt #: 65 total cpu time spent up to now is 28.9 secs Computing kpt #: 66 total cpu time spent up to now is 29.3 secs Computing kpt #: 67 total cpu time spent up to now is 29.7 secs Computing kpt #: 68 total cpu time spent up to now is 30.1 secs Computing kpt #: 69 total cpu time spent up to now is 30.5 secs Computing kpt #: 70 total cpu time spent up to now is 30.9 secs Computing kpt #: 71 total cpu time spent up to now is 31.3 secs Computing kpt #: 72 total cpu time spent up to now is 31.7 secs Computing kpt #: 73 total cpu time spent up to now is 32.1 secs Computing kpt #: 74 total cpu time spent up to now is 32.5 secs Computing kpt #: 75 total cpu time spent up to now is 32.9 secs Computing kpt #: 76 total cpu time spent up to now is 33.3 secs Computing kpt #: 77 total cpu time spent up to now is 33.7 secs Computing kpt #: 78 total cpu time spent up to now is 34.1 secs Computing kpt #: 79 total cpu time spent up to now is 34.4 secs Computing kpt #: 80 total cpu time spent up to now is 34.8 secs Computing kpt #: 81 total cpu time spent up to now is 35.3 secs Computing kpt #: 82 total cpu time spent up to now is 35.7 secs Computing kpt #: 83 total cpu time spent up to now is 36.0 secs Computing kpt #: 84 total cpu time spent up to now is 36.5 secs Computing kpt #: 85 total cpu time spent up to now is 36.9 secs Computing kpt #: 86 total cpu time spent up to now is 37.3 secs Computing kpt #: 87 total cpu time spent up to now is 37.6 secs Computing kpt #: 88 total cpu time spent up to now is 38.0 secs Computing kpt #: 89 total cpu time spent up to now is 38.4 secs Computing kpt #: 90 total cpu time spent up to now is 38.7 secs Computing kpt #: 91 total cpu time spent up to now is 39.1 secs Computing kpt #: 92 total cpu time spent up to now is 39.4 secs Computing kpt #: 93 total cpu time spent up to now is 39.8 secs Computing kpt #: 94 total cpu time spent up to now is 40.1 secs Computing kpt #: 95 total cpu time spent up to now is 40.5 secs Computing kpt #: 96 total cpu time spent up to now is 40.8 secs Computing kpt #: 97 total cpu time spent up to now is 41.2 secs Computing kpt #: 98 total cpu time spent up to now is 41.6 secs Computing kpt #: 99 total cpu time spent up to now is 42.0 secs Computing kpt #: 100 total cpu time spent up to now is 42.4 secs Computing kpt #: 101 total cpu time spent up to now is 42.7 secs Computing kpt #: 102 total cpu time spent up to now is 43.1 secs Computing kpt #: 103 total cpu time spent up to now is 43.5 secs Computing kpt #: 104 total cpu time spent up to now is 43.9 secs Computing kpt #: 105 total cpu time spent up to now is 44.3 secs Computing kpt #: 106 total cpu time spent up to now is 44.7 secs Computing kpt #: 107 total cpu time spent up to now is 45.1 secs Computing kpt #: 108 total cpu time spent up to now is 45.5 secs Computing kpt #: 109 total cpu time spent up to now is 45.9 secs Computing kpt #: 110 total cpu time spent up to now is 46.3 secs Computing kpt #: 111 total cpu time spent up to now is 46.8 secs Computing kpt #: 112 total cpu time spent up to now is 47.2 secs Computing kpt #: 113 total cpu time spent up to now is 47.6 secs Computing kpt #: 114 total cpu time spent up to now is 48.0 secs Computing kpt #: 115 total cpu time spent up to now is 48.5 secs Computing kpt #: 116 total cpu time spent up to now is 48.9 secs Computing kpt #: 117 total cpu time spent up to now is 49.4 secs Computing kpt #: 118 total cpu time spent up to now is 49.8 secs Computing kpt #: 119 total cpu time spent up to now is 50.2 secs Computing kpt #: 120 total cpu time spent up to now is 50.6 secs Computing kpt #: 121 total cpu time spent up to now is 50.9 secs Computing kpt #: 122 total cpu time spent up to now is 51.3 secs Computing kpt #: 123 total cpu time spent up to now is 51.7 secs Computing kpt #: 124 total cpu time spent up to now is 52.1 secs Computing kpt #: 125 total cpu time spent up to now is 52.5 secs Computing kpt #: 126 total cpu time spent up to now is 52.9 secs Computing kpt #: 127 total cpu time spent up to now is 53.2 secs Computing kpt #: 128 total cpu time spent up to now is 53.6 secs Computing kpt #: 129 total cpu time spent up to now is 53.9 secs Computing kpt #: 130 total cpu time spent up to now is 54.3 secs Computing kpt #: 131 total cpu time spent up to now is 54.7 secs Computing kpt #: 132 total cpu time spent up to now is 55.0 secs Computing kpt #: 133 total cpu time spent up to now is 55.4 secs Computing kpt #: 134 total cpu time spent up to now is 55.7 secs Computing kpt #: 135 total cpu time spent up to now is 56.1 secs Computing kpt #: 136 total cpu time spent up to now is 56.4 secs Computing kpt #: 137 total cpu time spent up to now is 56.8 secs Computing kpt #: 138 total cpu time spent up to now is 57.2 secs Computing kpt #: 139 total cpu time spent up to now is 57.5 secs Computing kpt #: 140 total cpu time spent up to now is 57.8 secs Computing kpt #: 141 total cpu time spent up to now is 58.1 secs Computing kpt #: 142 total cpu time spent up to now is 58.4 secs Computing kpt #: 143 total cpu time spent up to now is 58.8 secs Computing kpt #: 144 total cpu time spent up to now is 59.1 secs Computing kpt #: 145 total cpu time spent up to now is 59.4 secs Computing kpt #: 146 total cpu time spent up to now is 59.7 secs Computing kpt #: 147 total cpu time spent up to now is 60.0 secs Computing kpt #: 148 total cpu time spent up to now is 60.4 secs Computing kpt #: 149 total cpu time spent up to now is 60.7 secs Computing kpt #: 150 total cpu time spent up to now is 61.0 secs Computing kpt #: 151 total cpu time spent up to now is 61.3 secs Computing kpt #: 152 total cpu time spent up to now is 61.6 secs Computing kpt #: 153 total cpu time spent up to now is 61.9 secs Computing kpt #: 154 total cpu time spent up to now is 62.2 secs Computing kpt #: 155 total cpu time spent up to now is 62.6 secs Computing kpt #: 156 total cpu time spent up to now is 62.9 secs Computing kpt #: 157 total cpu time spent up to now is 63.2 secs Computing kpt #: 158 total cpu time spent up to now is 63.5 secs Computing kpt #: 159 total cpu time spent up to now is 63.8 secs Computing kpt #: 160 total cpu time spent up to now is 64.2 secs Computing kpt #: 161 total cpu time spent up to now is 64.5 secs Computing kpt #: 162 total cpu time spent up to now is 64.8 secs Computing kpt #: 163 total cpu time spent up to now is 65.2 secs Computing kpt #: 164 total cpu time spent up to now is 65.5 secs Computing kpt #: 165 total cpu time spent up to now is 65.9 secs Computing kpt #: 166 total cpu time spent up to now is 66.2 secs Computing kpt #: 167 total cpu time spent up to now is 66.5 secs Computing kpt #: 168 total cpu time spent up to now is 66.9 secs Computing kpt #: 169 total cpu time spent up to now is 67.2 secs Computing kpt #: 170 total cpu time spent up to now is 67.5 secs Computing kpt #: 171 total cpu time spent up to now is 67.9 secs Computing kpt #: 172 total cpu time spent up to now is 68.2 secs Computing kpt #: 173 total cpu time spent up to now is 68.6 secs Computing kpt #: 174 total cpu time spent up to now is 68.9 secs Computing kpt #: 175 total cpu time spent up to now is 69.2 secs Computing kpt #: 176 total cpu time spent up to now is 69.6 secs Computing kpt #: 177 total cpu time spent up to now is 69.9 secs Computing kpt #: 178 total cpu time spent up to now is 70.2 secs Computing kpt #: 179 total cpu time spent up to now is 70.6 secs Computing kpt #: 180 total cpu time spent up to now is 70.9 secs Computing kpt #: 181 total cpu time spent up to now is 71.3 secs Computing kpt #: 182 total cpu time spent up to now is 71.6 secs Computing kpt #: 183 total cpu time spent up to now is 72.0 secs Computing kpt #: 184 total cpu time spent up to now is 72.3 secs Computing kpt #: 185 total cpu time spent up to now is 72.7 secs Computing kpt #: 186 total cpu time spent up to now is 73.0 secs Computing kpt #: 187 total cpu time spent up to now is 73.4 secs Computing kpt #: 188 total cpu time spent up to now is 73.8 secs Computing kpt #: 189 total cpu time spent up to now is 74.1 secs Computing kpt #: 190 total cpu time spent up to now is 74.5 secs Computing kpt #: 191 total cpu time spent up to now is 74.8 secs Computing kpt #: 192 total cpu time spent up to now is 75.1 secs Computing kpt #: 193 total cpu time spent up to now is 75.5 secs Computing kpt #: 194 total cpu time spent up to now is 75.8 secs Computing kpt #: 195 total cpu time spent up to now is 76.2 secs Computing kpt #: 196 total cpu time spent up to now is 76.5 secs Computing kpt #: 197 total cpu time spent up to now is 76.9 secs Computing kpt #: 198 total cpu time spent up to now is 77.2 secs Computing kpt #: 199 total cpu time spent up to now is 77.5 secs Computing kpt #: 200 total cpu time spent up to now is 77.9 secs Computing kpt #: 201 total cpu time spent up to now is 78.2 secs Computing kpt #: 202 total cpu time spent up to now is 78.5 secs Computing kpt #: 203 total cpu time spent up to now is 78.9 secs Computing kpt #: 204 total cpu time spent up to now is 79.3 secs Computing kpt #: 205 total cpu time spent up to now is 79.6 secs Computing kpt #: 206 total cpu time spent up to now is 79.9 secs Computing kpt #: 207 total cpu time spent up to now is 80.3 secs Computing kpt #: 208 total cpu time spent up to now is 80.6 secs Computing kpt #: 209 total cpu time spent up to now is 81.0 secs Computing kpt #: 210 total cpu time spent up to now is 81.3 secs Computing kpt #: 211 total cpu time spent up to now is 81.6 secs Computing kpt #: 212 total cpu time spent up to now is 82.0 secs Computing kpt #: 213 total cpu time spent up to now is 82.4 secs Computing kpt #: 214 total cpu time spent up to now is 82.7 secs Computing kpt #: 215 total cpu time spent up to now is 83.0 secs Computing kpt #: 216 total cpu time spent up to now is 83.4 secs Computing kpt #: 217 total cpu time spent up to now is 83.7 secs Computing kpt #: 218 total cpu time spent up to now is 84.1 secs Computing kpt #: 219 total cpu time spent up to now is 84.4 secs Computing kpt #: 220 total cpu time spent up to now is 84.8 secs Computing kpt #: 221 total cpu time spent up to now is 85.1 secs Computing kpt #: 222 total cpu time spent up to now is 85.5 secs Computing kpt #: 223 total cpu time spent up to now is 85.9 secs Computing kpt #: 224 total cpu time spent up to now is 86.2 secs Computing kpt #: 225 total cpu time spent up to now is 86.6 secs Computing kpt #: 226 total cpu time spent up to now is 86.9 secs Computing kpt #: 227 total cpu time spent up to now is 87.3 secs Computing kpt #: 228 total cpu time spent up to now is 87.7 secs Computing kpt #: 229 total cpu time spent up to now is 88.0 secs Computing kpt #: 230 total cpu time spent up to now is 88.4 secs Computing kpt #: 231 total cpu time spent up to now is 88.7 secs Computing kpt #: 232 total cpu time spent up to now is 89.1 secs Computing kpt #: 233 total cpu time spent up to now is 89.5 secs Computing kpt #: 234 total cpu time spent up to now is 89.9 secs Computing kpt #: 235 total cpu time spent up to now is 90.3 secs Computing kpt #: 236 total cpu time spent up to now is 90.6 secs Computing kpt #: 237 total cpu time spent up to now is 91.0 secs Computing kpt #: 238 total cpu time spent up to now is 91.4 secs Computing kpt #: 239 total cpu time spent up to now is 91.8 secs Computing kpt #: 240 total cpu time spent up to now is 92.3 secs Computing kpt #: 241 total cpu time spent up to now is 92.7 secs Computing kpt #: 242 total cpu time spent up to now is 93.1 secs Computing kpt #: 243 total cpu time spent up to now is 93.5 secs Computing kpt #: 244 total cpu time spent up to now is 93.9 secs Computing kpt #: 245 total cpu time spent up to now is 94.3 secs Computing kpt #: 246 total cpu time spent up to now is 94.7 secs Computing kpt #: 247 total cpu time spent up to now is 95.1 secs Computing kpt #: 248 total cpu time spent up to now is 95.5 secs Computing kpt #: 249 total cpu time spent up to now is 95.9 secs Computing kpt #: 250 total cpu time spent up to now is 96.3 secs Computing kpt #: 251 total cpu time spent up to now is 96.7 secs Computing kpt #: 252 total cpu time spent up to now is 97.1 secs Computing kpt #: 253 total cpu time spent up to now is 97.5 secs Computing kpt #: 254 total cpu time spent up to now is 97.9 secs Computing kpt #: 255 total cpu time spent up to now is 98.3 secs Computing kpt #: 256 total cpu time spent up to now is 98.7 secs Computing kpt #: 257 total cpu time spent up to now is 99.1 secs Computing kpt #: 258 total cpu time spent up to now is 99.5 secs Computing kpt #: 259 total cpu time spent up to now is 99.9 secs Computing kpt #: 260 total cpu time spent up to now is 100.3 secs Computing kpt #: 261 total cpu time spent up to now is 100.7 secs Computing kpt #: 262 total cpu time spent up to now is 101.1 secs Computing kpt #: 263 total cpu time spent up to now is 101.5 secs Computing kpt #: 264 total cpu time spent up to now is 101.9 secs Computing kpt #: 265 total cpu time spent up to now is 102.3 secs Computing kpt #: 266 total cpu time spent up to now is 102.7 secs Computing kpt #: 267 total cpu time spent up to now is 103.1 secs Computing kpt #: 268 total cpu time spent up to now is 103.5 secs Computing kpt #: 269 total cpu time spent up to now is 103.9 secs Computing kpt #: 270 total cpu time spent up to now is 104.3 secs Computing kpt #: 271 total cpu time spent up to now is 104.7 secs Computing kpt #: 272 total cpu time spent up to now is 105.0 secs Computing kpt #: 273 total cpu time spent up to now is 105.4 secs Computing kpt #: 274 total cpu time spent up to now is 105.7 secs Computing kpt #: 275 total cpu time spent up to now is 106.1 secs Computing kpt #: 276 total cpu time spent up to now is 107.1 secs Computing kpt #: 277 total cpu time spent up to now is 107.5 secs Computing kpt #: 278 total cpu time spent up to now is 107.9 secs Computing kpt #: 279 total cpu time spent up to now is 108.3 secs Computing kpt #: 280 total cpu time spent up to now is 108.6 secs Computing kpt #: 281 total cpu time spent up to now is 109.0 secs Computing kpt #: 282 total cpu time spent up to now is 109.3 secs Computing kpt #: 283 total cpu time spent up to now is 109.7 secs Computing kpt #: 284 total cpu time spent up to now is 110.1 secs Computing kpt #: 285 total cpu time spent up to now is 110.5 secs Computing kpt #: 286 total cpu time spent up to now is 110.8 secs Computing kpt #: 287 total cpu time spent up to now is 111.2 secs Computing kpt #: 288 total cpu time spent up to now is 111.5 secs Computing kpt #: 289 total cpu time spent up to now is 111.9 secs Computing kpt #: 290 total cpu time spent up to now is 112.3 secs Computing kpt #: 291 total cpu time spent up to now is 112.7 secs Computing kpt #: 292 total cpu time spent up to now is 113.1 secs Computing kpt #: 293 total cpu time spent up to now is 113.5 secs Computing kpt #: 294 total cpu time spent up to now is 113.9 secs Computing kpt #: 295 total cpu time spent up to now is 114.3 secs Computing kpt #: 296 total cpu time spent up to now is 114.7 secs Computing kpt #: 297 total cpu time spent up to now is 115.1 secs Computing kpt #: 298 total cpu time spent up to now is 115.4 secs Computing kpt #: 299 total cpu time spent up to now is 115.8 secs Computing kpt #: 300 total cpu time spent up to now is 116.2 secs Computing kpt #: 301 total cpu time spent up to now is 116.5 secs Computing kpt #: 302 total cpu time spent up to now is 116.9 secs Computing kpt #: 303 total cpu time spent up to now is 117.3 secs Computing kpt #: 304 total cpu time spent up to now is 117.6 secs Computing kpt #: 305 total cpu time spent up to now is 118.0 secs Computing kpt #: 306 total cpu time spent up to now is 118.3 secs Computing kpt #: 307 total cpu time spent up to now is 118.7 secs Computing kpt #: 308 total cpu time spent up to now is 119.1 secs Computing kpt #: 309 total cpu time spent up to now is 119.4 secs Computing kpt #: 310 total cpu time spent up to now is 119.8 secs Computing kpt #: 311 total cpu time spent up to now is 120.1 secs Computing kpt #: 312 total cpu time spent up to now is 120.5 secs Computing kpt #: 313 total cpu time spent up to now is 120.9 secs Computing kpt #: 314 total cpu time spent up to now is 121.2 secs Computing kpt #: 315 total cpu time spent up to now is 121.6 secs Computing kpt #: 316 total cpu time spent up to now is 121.9 secs Computing kpt #: 317 total cpu time spent up to now is 122.3 secs Computing kpt #: 318 total cpu time spent up to now is 122.7 secs Computing kpt #: 319 total cpu time spent up to now is 123.0 secs Computing kpt #: 320 total cpu time spent up to now is 123.4 secs Computing kpt #: 321 total cpu time spent up to now is 123.7 secs Computing kpt #: 322 total cpu time spent up to now is 124.1 secs Computing kpt #: 323 total cpu time spent up to now is 124.4 secs Computing kpt #: 324 total cpu time spent up to now is 124.8 secs Computing kpt #: 325 total cpu time spent up to now is 125.1 secs Computing kpt #: 326 total cpu time spent up to now is 125.5 secs Computing kpt #: 327 total cpu time spent up to now is 125.8 secs Computing kpt #: 328 total cpu time spent up to now is 126.2 secs Computing kpt #: 329 total cpu time spent up to now is 126.5 secs Computing kpt #: 330 total cpu time spent up to now is 126.9 secs Computing kpt #: 331 total cpu time spent up to now is 127.2 secs Computing kpt #: 332 total cpu time spent up to now is 127.6 secs Computing kpt #: 333 total cpu time spent up to now is 127.9 secs Computing kpt #: 334 total cpu time spent up to now is 128.3 secs Computing kpt #: 335 total cpu time spent up to now is 128.7 secs Computing kpt #: 336 total cpu time spent up to now is 129.0 secs Computing kpt #: 337 total cpu time spent up to now is 129.4 secs Computing kpt #: 338 total cpu time spent up to now is 129.7 secs Computing kpt #: 339 total cpu time spent up to now is 130.1 secs Computing kpt #: 340 total cpu time spent up to now is 130.4 secs Computing kpt #: 341 total cpu time spent up to now is 130.8 secs Computing kpt #: 342 total cpu time spent up to now is 131.1 secs Computing kpt #: 343 total cpu time spent up to now is 131.5 secs Computing kpt #: 344 total cpu time spent up to now is 131.9 secs Computing kpt #: 345 total cpu time spent up to now is 132.3 secs Computing kpt #: 346 total cpu time spent up to now is 132.6 secs Computing kpt #: 347 total cpu time spent up to now is 132.9 secs Computing kpt #: 348 total cpu time spent up to now is 133.3 secs Computing kpt #: 349 total cpu time spent up to now is 133.7 secs Computing kpt #: 350 total cpu time spent up to now is 134.1 secs Computing kpt #: 351 total cpu time spent up to now is 134.4 secs Computing kpt #: 352 total cpu time spent up to now is 134.8 secs Computing kpt #: 353 total cpu time spent up to now is 135.1 secs Computing kpt #: 354 total cpu time spent up to now is 135.5 secs Computing kpt #: 355 total cpu time spent up to now is 135.9 secs Computing kpt #: 356 total cpu time spent up to now is 136.2 secs Computing kpt #: 357 total cpu time spent up to now is 136.6 secs Computing kpt #: 358 total cpu time spent up to now is 136.9 secs Computing kpt #: 359 total cpu time spent up to now is 137.3 secs Computing kpt #: 360 total cpu time spent up to now is 137.6 secs Computing kpt #: 361 total cpu time spent up to now is 138.0 secs Computing kpt #: 362 total cpu time spent up to now is 138.3 secs Computing kpt #: 363 total cpu time spent up to now is 138.7 secs Computing kpt #: 364 total cpu time spent up to now is 139.0 secs Computing kpt #: 365 total cpu time spent up to now is 139.3 secs Computing kpt #: 366 total cpu time spent up to now is 139.7 secs Computing kpt #: 367 total cpu time spent up to now is 140.0 secs Computing kpt #: 368 total cpu time spent up to now is 140.4 secs Computing kpt #: 369 total cpu time spent up to now is 140.7 secs Computing kpt #: 370 total cpu time spent up to now is 141.0 secs Computing kpt #: 371 total cpu time spent up to now is 141.4 secs Computing kpt #: 372 total cpu time spent up to now is 141.7 secs Computing kpt #: 373 total cpu time spent up to now is 142.1 secs Computing kpt #: 374 total cpu time spent up to now is 142.4 secs Computing kpt #: 375 total cpu time spent up to now is 142.8 secs Computing kpt #: 376 total cpu time spent up to now is 143.1 secs Computing kpt #: 377 total cpu time spent up to now is 143.5 secs Computing kpt #: 378 total cpu time spent up to now is 143.8 secs Computing kpt #: 379 total cpu time spent up to now is 144.1 secs Computing kpt #: 380 total cpu time spent up to now is 144.5 secs Computing kpt #: 381 total cpu time spent up to now is 144.8 secs Computing kpt #: 382 total cpu time spent up to now is 145.2 secs Computing kpt #: 383 total cpu time spent up to now is 145.5 secs Computing kpt #: 384 total cpu time spent up to now is 145.8 secs Computing kpt #: 385 total cpu time spent up to now is 146.2 secs Computing kpt #: 386 total cpu time spent up to now is 146.5 secs Computing kpt #: 387 total cpu time spent up to now is 146.8 secs Computing kpt #: 388 total cpu time spent up to now is 147.2 secs Computing kpt #: 389 total cpu time spent up to now is 147.5 secs Computing kpt #: 390 total cpu time spent up to now is 147.8 secs Computing kpt #: 391 total cpu time spent up to now is 148.2 secs Computing kpt #: 392 total cpu time spent up to now is 148.5 secs Computing kpt #: 393 total cpu time spent up to now is 148.9 secs Computing kpt #: 394 total cpu time spent up to now is 149.2 secs Computing kpt #: 395 total cpu time spent up to now is 149.6 secs Computing kpt #: 396 total cpu time spent up to now is 149.9 secs Computing kpt #: 397 total cpu time spent up to now is 150.3 secs Computing kpt #: 398 total cpu time spent up to now is 150.7 secs Computing kpt #: 399 total cpu time spent up to now is 151.0 secs Computing kpt #: 400 total cpu time spent up to now is 151.3 secs Computing kpt #: 401 total cpu time spent up to now is 151.7 secs Computing kpt #: 402 total cpu time spent up to now is 152.1 secs Computing kpt #: 403 total cpu time spent up to now is 152.4 secs Computing kpt #: 404 total cpu time spent up to now is 152.8 secs Computing kpt #: 405 total cpu time spent up to now is 153.1 secs Computing kpt #: 406 total cpu time spent up to now is 153.5 secs Computing kpt #: 407 total cpu time spent up to now is 153.9 secs Computing kpt #: 408 total cpu time spent up to now is 154.3 secs Computing kpt #: 409 total cpu time spent up to now is 154.6 secs Computing kpt #: 410 total cpu time spent up to now is 154.9 secs Computing kpt #: 411 total cpu time spent up to now is 155.3 secs Computing kpt #: 412 total cpu time spent up to now is 155.7 secs Computing kpt #: 413 total cpu time spent up to now is 156.1 secs Computing kpt #: 414 total cpu time spent up to now is 156.5 secs Computing kpt #: 415 total cpu time spent up to now is 156.8 secs Computing kpt #: 416 total cpu time spent up to now is 157.1 secs Computing kpt #: 417 total cpu time spent up to now is 157.5 secs Computing kpt #: 418 total cpu time spent up to now is 157.9 secs Computing kpt #: 419 total cpu time spent up to now is 158.2 secs Computing kpt #: 420 total cpu time spent up to now is 158.5 secs Computing kpt #: 421 total cpu time spent up to now is 158.9 secs Computing kpt #: 422 total cpu time spent up to now is 159.1 secs Computing kpt #: 423 total cpu time spent up to now is 159.5 secs Computing kpt #: 424 total cpu time spent up to now is 159.8 secs Computing kpt #: 425 total cpu time spent up to now is 160.2 secs Computing kpt #: 426 total cpu time spent up to now is 160.5 secs Computing kpt #: 427 total cpu time spent up to now is 160.8 secs Computing kpt #: 428 total cpu time spent up to now is 161.1 secs Computing kpt #: 429 total cpu time spent up to now is 161.5 secs Computing kpt #: 430 total cpu time spent up to now is 161.8 secs Computing kpt #: 431 total cpu time spent up to now is 162.1 secs Computing kpt #: 432 total cpu time spent up to now is 162.5 secs Computing kpt #: 433 total cpu time spent up to now is 162.8 secs Computing kpt #: 434 total cpu time spent up to now is 163.1 secs Computing kpt #: 435 total cpu time spent up to now is 163.5 secs Computing kpt #: 436 total cpu time spent up to now is 163.9 secs Computing kpt #: 437 total cpu time spent up to now is 164.2 secs Computing kpt #: 438 total cpu time spent up to now is 164.6 secs Computing kpt #: 439 total cpu time spent up to now is 164.9 secs Computing kpt #: 440 total cpu time spent up to now is 165.2 secs Computing kpt #: 441 total cpu time spent up to now is 165.5 secs Computing kpt #: 442 total cpu time spent up to now is 165.9 secs Computing kpt #: 443 total cpu time spent up to now is 166.2 secs Computing kpt #: 444 total cpu time spent up to now is 166.6 secs Computing kpt #: 445 total cpu time spent up to now is 166.9 secs Computing kpt #: 446 total cpu time spent up to now is 167.3 secs Computing kpt #: 447 total cpu time spent up to now is 167.6 secs Computing kpt #: 448 total cpu time spent up to now is 167.9 secs Computing kpt #: 449 total cpu time spent up to now is 168.2 secs Computing kpt #: 450 total cpu time spent up to now is 168.5 secs Computing kpt #: 451 total cpu time spent up to now is 168.9 secs Computing kpt #: 452 total cpu time spent up to now is 169.2 secs Computing kpt #: 453 total cpu time spent up to now is 169.5 secs Computing kpt #: 454 total cpu time spent up to now is 169.9 secs Computing kpt #: 455 total cpu time spent up to now is 170.3 secs Computing kpt #: 456 total cpu time spent up to now is 170.6 secs Computing kpt #: 457 total cpu time spent up to now is 170.9 secs Computing kpt #: 458 total cpu time spent up to now is 171.3 secs Computing kpt #: 459 total cpu time spent up to now is 171.7 secs Computing kpt #: 460 total cpu time spent up to now is 172.1 secs Computing kpt #: 461 total cpu time spent up to now is 172.5 secs Computing kpt #: 462 total cpu time spent up to now is 172.9 secs Computing kpt #: 463 total cpu time spent up to now is 173.3 secs Computing kpt #: 464 total cpu time spent up to now is 173.7 secs Computing kpt #: 465 total cpu time spent up to now is 174.1 secs Computing kpt #: 466 total cpu time spent up to now is 174.5 secs Computing kpt #: 467 total cpu time spent up to now is 174.9 secs Computing kpt #: 468 total cpu time spent up to now is 175.3 secs Computing kpt #: 469 total cpu time spent up to now is 175.7 secs Computing kpt #: 470 total cpu time spent up to now is 176.1 secs Computing kpt #: 471 total cpu time spent up to now is 176.6 secs Computing kpt #: 472 total cpu time spent up to now is 177.0 secs Computing kpt #: 473 total cpu time spent up to now is 177.3 secs Computing kpt #: 474 total cpu time spent up to now is 177.7 secs Computing kpt #: 475 total cpu time spent up to now is 178.1 secs Computing kpt #: 476 total cpu time spent up to now is 178.5 secs Computing kpt #: 477 total cpu time spent up to now is 178.9 secs Computing kpt #: 478 total cpu time spent up to now is 179.3 secs Computing kpt #: 479 total cpu time spent up to now is 179.8 secs Computing kpt #: 480 total cpu time spent up to now is 180.2 secs Computing kpt #: 481 total cpu time spent up to now is 180.6 secs Computing kpt #: 482 total cpu time spent up to now is 181.0 secs Computing kpt #: 483 total cpu time spent up to now is 181.4 secs Computing kpt #: 484 total cpu time spent up to now is 181.8 secs Computing kpt #: 485 total cpu time spent up to now is 182.2 secs Computing kpt #: 486 total cpu time spent up to now is 182.6 secs Computing kpt #: 487 total cpu time spent up to now is 183.0 secs Computing kpt #: 488 total cpu time spent up to now is 183.4 secs Computing kpt #: 489 total cpu time spent up to now is 183.8 secs Computing kpt #: 490 total cpu time spent up to now is 184.1 secs Computing kpt #: 491 total cpu time spent up to now is 184.5 secs Computing kpt #: 492 total cpu time spent up to now is 184.9 secs Computing kpt #: 493 total cpu time spent up to now is 185.2 secs Computing kpt #: 494 total cpu time spent up to now is 185.5 secs Computing kpt #: 495 total cpu time spent up to now is 185.9 secs Computing kpt #: 496 total cpu time spent up to now is 186.3 secs Computing kpt #: 497 total cpu time spent up to now is 186.6 secs Computing kpt #: 498 total cpu time spent up to now is 187.0 secs Computing kpt #: 499 total cpu time spent up to now is 187.3 secs Computing kpt #: 500 total cpu time spent up to now is 187.7 secs Computing kpt #: 501 total cpu time spent up to now is 188.1 secs Computing kpt #: 502 total cpu time spent up to now is 188.5 secs Computing kpt #: 503 total cpu time spent up to now is 188.8 secs Computing kpt #: 504 total cpu time spent up to now is 189.1 secs Computing kpt #: 505 total cpu time spent up to now is 189.5 secs Computing kpt #: 506 total cpu time spent up to now is 189.9 secs Computing kpt #: 507 total cpu time spent up to now is 190.3 secs Computing kpt #: 508 total cpu time spent up to now is 190.6 secs Computing kpt #: 509 total cpu time spent up to now is 190.9 secs Computing kpt #: 510 total cpu time spent up to now is 191.3 secs Computing kpt #: 511 total cpu time spent up to now is 191.7 secs Computing kpt #: 512 total cpu time spent up to now is 192.0 secs Computing kpt #: 513 total cpu time spent up to now is 192.3 secs Computing kpt #: 514 total cpu time spent up to now is 192.7 secs Computing kpt #: 515 total cpu time spent up to now is 193.1 secs Computing kpt #: 516 total cpu time spent up to now is 193.4 secs Computing kpt #: 517 total cpu time spent up to now is 193.7 secs Computing kpt #: 518 total cpu time spent up to now is 194.1 secs Computing kpt #: 519 total cpu time spent up to now is 194.4 secs Computing kpt #: 520 total cpu time spent up to now is 194.7 secs Computing kpt #: 521 total cpu time spent up to now is 195.1 secs Computing kpt #: 522 total cpu time spent up to now is 195.4 secs Computing kpt #: 523 total cpu time spent up to now is 195.8 secs Computing kpt #: 524 total cpu time spent up to now is 196.1 secs ethr = 3.13E-08, avg # of iterations = 18.0 total cpu time spent up to now is 196.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -14.6853 -14.6853 -13.4791 -13.4791 -10.1372 -10.1372 -9.2918 -9.2918 -1.6660 -1.6660 -0.0296 -0.0296 0.2452 0.2452 2.4948 2.4948 3.6622 3.6622 4.1166 4.1166 4.4449 4.4449 4.8347 4.8347 5.8303 5.8303 6.2364 6.2364 6.5426 6.5426 7.2524 7.2524 12.8455 12.8455 15.9267 15.9267 16.0867 16.0867 17.5409 17.5409 k = 0.0089-0.0000-0.0000 ( 2071 PWs) bands (ev): -14.6848 -14.6848 -13.4790 -13.4790 -10.1367 -10.1367 -9.2916 -9.2915 -1.6653 -1.6652 -0.0296 -0.0295 0.2457 0.2458 2.4952 2.4954 3.6599 3.6600 4.1158 4.1162 4.4446 4.4446 4.8318 4.8326 5.8277 5.8278 6.2363 6.2363 6.5392 6.5394 7.2518 7.2519 12.8493 12.8493 15.9309 15.9310 16.0898 16.0899 17.5440 17.5441 k = 0.0179-0.0000-0.0000 ( 2071 PWs) bands (ev): -14.6832 -14.6832 -13.4787 -13.4786 -10.1354 -10.1354 -9.2910 -9.2908 -1.6632 -1.6631 -0.0294 -0.0292 0.2474 0.2476 2.4967 2.4970 3.6532 3.6534 4.1138 4.1148 4.4438 4.4438 4.8241 4.8257 5.8202 5.8204 6.2358 6.2358 6.5292 6.5295 7.2503 7.2504 12.8605 12.8606 15.9436 15.9437 16.0993 16.0994 17.5535 17.5537 k = 0.0268-0.0000-0.0000 ( 2075 PWs) bands (ev): -14.6806 -14.6806 -13.4781 -13.4781 -10.1332 -10.1332 -9.2899 -9.2897 -1.6598 -1.6596 -0.0292 -0.0289 0.2503 0.2506 2.4991 2.4996 3.6422 3.6425 4.1107 4.1122 4.4424 4.4424 4.8116 4.8141 5.8078 5.8081 6.2349 6.2350 6.5128 6.5132 7.2477 7.2478 12.8793 12.8793 15.9646 15.9648 16.1150 16.1152 17.5692 17.5696 k = 0.0357-0.0000-0.0000 ( 2071 PWs) bands (ev): -14.6770 -14.6770 -13.4774 -13.4773 -10.1302 -10.1302 -9.2884 -9.2881 -1.6550 -1.6547 -0.0288 -0.0285 0.2544 0.2547 2.5025 2.5032 3.6270 3.6274 4.1063 4.1084 4.4403 4.4404 4.7946 4.7979 5.7906 5.7909 6.2338 6.2339 6.4900 6.4906 7.2441 7.2443 12.9053 12.9053 15.9938 15.9941 16.1368 16.1371 17.5911 17.5916 k = 0.0446-0.0000-0.0000 ( 2075 PWs) bands (ev): -14.6723 -14.6723 -13.4764 -13.4763 -10.1263 -10.1263 -9.2865 -9.2861 -1.6488 -1.6485 -0.0284 -0.0279 0.2595 0.2600 2.5068 2.5078 3.6077 3.6082 4.1006 4.1032 4.4375 4.4376 4.7733 4.7775 5.7686 5.7691 6.2323 6.2324 6.4611 6.4619 7.2395 7.2396 12.9383 12.9384 16.0311 16.0314 16.1647 16.1651 17.6191 17.6197 k = 0.0536-0.0000-0.0000 ( 2073 PWs) bands (ev): -14.6666 -14.6666 -13.4752 -13.4751 -10.1215 -10.1215 -9.2841 -9.2837 -1.6412 -1.6409 -0.0278 -0.0273 0.2659 0.2664 2.5120 2.5131 3.5846 3.5853 4.0933 4.0966 4.4338 4.4339 4.7482 4.7532 5.7421 5.7426 6.2304 6.2306 6.4264 6.4274 7.2337 7.2339 12.9782 12.9782 16.0761 16.0765 16.1985 16.1989 17.6529 17.6536 k = 0.0625-0.0000-0.0000 ( 2073 PWs) bands (ev): -14.6599 -14.6599 -13.4738 -13.4737 -10.1159 -10.1159 -9.2814 -9.2809 -1.6323 -1.6319 -0.0272 -0.0266 0.2733 0.2739 2.5178 2.5192 3.5579 3.5588 4.0844 4.0884 4.4287 4.4291 4.7199 4.7258 5.7111 5.7118 6.2282 6.2283 6.3863 6.3874 7.2270 7.2272 13.0246 13.0246 16.1286 16.1291 16.2379 16.2385 17.6924 17.6932 k = 0.0714-0.0000-0.0000 ( 2073 PWs) bands (ev): -14.6522 -14.6521 -13.4723 -13.4721 -10.1094 -10.1094 -9.2782 -9.2776 -1.6220 -1.6215 -0.0265 -0.0258 0.2818 0.2825 2.5243 2.5260 3.5281 3.5291 4.0737 4.0785 4.4219 4.4225 4.6892 4.6959 5.6760 5.6768 6.2254 6.2256 6.3411 6.3423 7.2191 7.2193 13.0772 13.0772 16.1882 16.1888 16.2829 16.2835 17.7373 17.7382 k = 0.0804-0.0000-0.0000 ( 2077 PWs) bands (ev): -14.6435 -14.6434 -13.4705 -13.4704 -10.1021 -10.1021 -9.2747 -9.2741 -1.6104 -1.6099 -0.0258 -0.0249 0.2914 0.2922 2.5313 2.5332 3.4954 3.4967 4.0608 4.0665 4.4125 4.4136 4.6573 4.6648 5.6370 5.6378 6.2219 6.2222 6.2915 6.2929 7.2101 7.2104 13.1356 13.1357 16.2545 16.2552 16.3330 16.3337 17.7873 17.7884 k = 0.0893-0.0000-0.0000 ( 2077 PWs) bands (ev): -14.6338 -14.6337 -13.4687 -13.4685 -10.0940 -10.0940 -9.2708 -9.2701 -1.5975 -1.5969 -0.0250 -0.0240 0.3020 0.3029 2.5385 2.5408 3.4604 3.4619 4.0457 4.0524 4.3994 4.4012 4.6259 4.6339 5.5942 5.5951 6.2150 6.2154 6.2404 6.2422 7.2000 7.2003 13.1995 13.1996 16.3272 16.3279 16.3881 16.3889 17.8422 17.8434 k = 0.0982-0.0000-0.0000 ( 2073 PWs) bands (ev): -14.6231 -14.6230 -13.4666 -13.4664 -10.0851 -10.0851 -9.2666 -9.2658 -1.5832 -1.5826 -0.0241 -0.0231 0.3136 0.3146 2.5458 2.5484 3.4236 3.4253 4.0279 4.0357 4.3808 4.3840 4.5971 4.6051 5.5479 5.5489 6.1745 6.1755 6.2193 6.2197 7.1888 7.1892 13.2686 13.2686 16.4057 16.4065 16.4478 16.4487 17.9016 17.9029 k = 0.1071-0.0000-0.0000 ( 2077 PWs) bands (ev): -14.6115 -14.6115 -13.4645 -13.4643 -10.0754 -10.0754 -9.2621 -9.2613 -1.5677 -1.5670 -0.0233 -0.0222 0.3261 0.3273 2.5527 2.5557 3.3856 3.3876 4.0070 4.0161 4.3555 4.3606 4.5727 4.5804 5.4985 5.4996 6.1137 6.1152 6.2139 6.2141 7.1765 7.1768 13.3423 13.3424 16.4895 16.4904 16.5118 16.5128 17.9652 17.9665 k = 0.1161-0.0000-0.0000 ( 2077 PWs) bands (ev): -14.5990 -14.5989 -13.4622 -13.4620 -10.0649 -10.0649 -9.2573 -9.2564 -1.5509 -1.5501 -0.0224 -0.0212 0.3396 0.3409 2.5589 2.5624 3.3470 3.3494 3.9827 3.9932 4.3229 4.3304 4.5541 4.5610 5.4461 5.4473 6.0490 6.0506 6.2092 6.2093 7.1629 7.1633 13.4204 13.4205 16.5778 16.5791 16.5802 16.5810 18.0325 18.0340 k = 0.1250-0.0000-0.0000 ( 2077 PWs) bands (ev): -14.5855 -14.5855 -13.4599 -13.4596 -10.0536 -10.0536 -9.2522 -9.2512 -1.5329 -1.5320 -0.0216 -0.0203 0.3539 0.3554 2.5639 2.5679 3.3087 3.3115 3.9544 3.9663 4.2839 4.2939 4.5409 4.5471 5.3912 5.3925 5.9813 5.9831 6.2043 6.2043 7.1483 7.1487 13.5025 13.5026 16.6515 16.6529 16.6711 16.6721 18.1033 18.1048 k = 0.1339-0.0000-0.0000 ( 2069 PWs) bands (ev): -14.5712 -14.5711 -13.4574 -13.4572 -10.0416 -10.0416 -9.2469 -9.2459 -1.5136 -1.5127 -0.0208 -0.0194 0.3691 0.3707 2.5670 2.5716 3.2717 3.2750 3.9217 3.9350 4.2403 4.2526 4.5325 4.5379 5.3339 5.3353 5.9114 5.9134 6.1991 6.1991 7.1325 7.1329 13.5882 13.5883 16.7266 16.7280 16.7676 16.7688 18.1770 18.1786 k = 0.1429-0.0000-0.0000 ( 2069 PWs) bands (ev): -14.5560 -14.5559 -13.4550 -13.4547 -10.0289 -10.0288 -9.2414 -9.2403 -1.4931 -1.4922 -0.0201 -0.0186 0.3850 0.3867 2.5675 2.5728 3.2369 3.2407 3.8839 3.8986 4.1938 4.2084 4.5275 4.5323 5.2746 5.2760 5.8396 5.8417 6.1935 6.1935 7.1154 7.1159 13.6771 13.6772 16.8045 16.8061 16.8671 16.8684 18.2532 18.2549 k = 0.1518-0.0000-0.0000 ( 2061 PWs) bands (ev): -14.5399 -14.5398 -13.4525 -13.4522 -10.0155 -10.0154 -9.2357 -9.2346 -1.4715 -1.4705 -0.0194 -0.0179 0.4016 0.4035 2.5647 2.5707 3.2055 3.2099 3.8407 3.8564 4.1463 4.1626 4.5251 4.5295 5.2136 5.2151 5.7664 5.7686 6.1875 6.1875 7.0972 7.0977 13.7690 13.7691 16.8849 16.8867 16.9692 16.9706 18.3316 18.3333 k = 0.1607-0.0000-0.0000 ( 2061 PWs) bands (ev): -14.5230 -14.5229 -13.4501 -13.4498 -10.0013 -10.0013 -9.2299 -9.2287 -1.4488 -1.4477 -0.0189 -0.0173 0.4187 0.4208 2.5577 2.5644 3.1786 3.1836 3.7918 3.8082 4.0990 4.1165 4.5245 4.5286 5.1511 5.1528 5.6922 5.6944 6.1811 6.1812 7.0778 7.0783 13.8635 13.8635 16.9674 16.9694 17.0729 17.0744 18.4116 18.4133 k = 0.1696-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.5053 -14.5052 -13.4477 -13.4473 -9.9866 -9.9865 -9.2240 -9.2227 -1.4249 -1.4238 -0.0186 -0.0169 0.4365 0.4387 2.5459 2.5532 3.1573 3.1628 3.7373 3.7539 4.0525 4.0706 4.5255 4.5293 5.0876 5.0893 5.6173 5.6196 6.1744 6.1744 7.0573 7.0578 13.9602 13.9603 17.0514 17.0537 17.1776 17.1793 18.4927 18.4945 k = 0.1786-0.0000-0.0000 ( 2066 PWs) bands (ev): -14.4869 -14.4868 -13.4453 -13.4450 -9.9711 -9.9710 -9.2180 -9.2167 -1.4000 -1.3989 -0.0184 -0.0167 0.4546 0.4571 2.5289 2.5368 3.1423 3.1482 3.6775 3.6938 4.0069 4.0251 4.5275 4.5312 5.0232 5.0250 5.5422 5.5445 6.1673 6.1673 7.0355 7.0360 14.0590 14.0590 17.1367 17.1392 17.2828 17.2846 18.5746 18.5764 k = 0.1875-0.0000-0.0000 ( 2064 PWs) bands (ev): -14.4678 -14.4677 -13.4430 -13.4427 -9.9551 -9.9550 -9.2120 -9.2107 -1.3741 -1.3729 -0.0185 -0.0166 0.4731 0.4758 2.5067 2.5151 3.1338 3.1401 3.6130 3.6287 3.9621 3.9800 4.5305 4.5339 4.9583 4.9602 5.4671 5.4695 6.1599 6.1599 7.0127 7.0132 14.1595 14.1595 17.2224 17.2251 17.3876 17.3896 18.6566 18.6584 k = 0.1964-0.0000-0.0000 ( 2066 PWs) bands (ev): -14.4479 -14.4478 -13.4409 -13.4405 -9.9385 -9.9384 -9.2060 -9.2046 -1.3472 -1.3459 -0.0187 -0.0168 0.4919 0.4947 2.4798 2.4886 3.1317 3.1382 3.5445 3.5593 3.9175 3.9349 4.5341 4.5374 4.8932 4.8952 5.3925 5.3948 6.1521 6.1521 6.9886 6.9891 14.2614 14.2615 17.3079 17.3110 17.4914 17.4935 18.6666 18.6671 k = 0.2054-0.0000-0.0000 ( 2066 PWs) bands (ev): -14.4274 -14.4273 -13.4389 -13.4385 -9.9213 -9.9212 -9.2001 -9.1986 -1.3193 -1.3180 -0.0192 -0.0172 0.5108 0.5139 2.4490 2.4581 3.1355 3.1422 3.4725 3.4864 3.8727 3.8895 4.5381 4.5413 4.8282 4.8304 5.3185 5.3209 6.1439 6.1440 6.9634 6.9640 14.3646 14.3646 17.3926 17.3960 17.5934 17.5957 18.6353 18.6359 k = 0.2143-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.4063 -14.4061 -13.4371 -13.4367 -9.9036 -9.9034 -9.1942 -9.1928 -1.2905 -1.2892 -0.0200 -0.0179 0.5297 0.5330 2.4152 2.4245 3.1445 3.1513 3.3977 3.4108 3.8275 3.8435 4.5426 4.5456 4.7637 4.7660 5.2456 5.2479 6.1355 6.1356 6.9372 6.9377 14.4687 14.4687 17.4753 17.4791 17.6928 17.6953 18.6073 18.6080 k = 0.2232-0.0000-0.0000 ( 2060 PWs) bands (ev): -14.3845 -14.3844 -13.4355 -13.4351 -9.8854 -9.8852 -9.1885 -9.1870 -1.2609 -1.2596 -0.0210 -0.0189 0.5486 0.5521 2.3794 2.3889 3.1578 3.1646 3.3207 3.3329 3.7813 3.7967 4.5471 4.5500 4.6998 4.7023 5.1740 5.1761 6.1267 6.1268 6.9098 6.9103 14.5736 14.5736 17.5551 17.5592 17.7890 17.7917 18.5836 18.5845 k = 0.2321-0.0000-0.0000 ( 2058 PWs) bands (ev): -14.3623 -14.3621 -13.4342 -13.4338 -9.8667 -9.8665 -9.1830 -9.1814 -1.2305 -1.2291 -0.0224 -0.0202 0.5672 0.5710 2.3426 2.3522 3.1746 3.1815 3.2421 3.2533 3.7341 3.7489 4.5516 4.5542 4.6371 4.6398 5.1039 5.1060 6.1177 6.1178 6.8814 6.8819 14.6791 14.6791 17.6304 17.6349 17.8812 17.8841 18.5660 18.5670 k = 0.2411-0.0000-0.0000 ( 2058 PWs) bands (ev): -14.3395 -14.3393 -13.4331 -13.4327 -9.8476 -9.8474 -9.1777 -9.1761 -1.1993 -1.1979 -0.0242 -0.0220 0.5855 0.5896 2.3057 2.3155 3.1616 3.1723 3.1947 3.2015 3.6858 3.6999 4.5552 4.5572 4.5766 4.5797 5.0357 5.0376 6.1084 6.1085 6.8519 6.8525 14.7848 14.7848 17.6995 17.7044 17.9686 17.9717 18.5561 18.5573 k = 0.2500-0.0000-0.0000 ( 2054 PWs) bands (ev): -14.3162 -14.3160 -13.4324 -13.4319 -9.8281 -9.8278 -9.1726 -9.1710 -1.1675 -1.1660 -0.0264 -0.0241 0.6033 0.6077 2.2694 2.2794 3.0807 3.0907 3.2165 3.2234 3.6362 3.6498 4.5151 4.5179 4.5607 4.5630 4.9698 4.9714 6.0989 6.0989 6.8215 6.8221 14.8907 14.8908 17.7606 17.7658 18.0506 18.0539 18.5561 18.5573 k = 0.2589-0.0000-0.0000 ( 2058 PWs) bands (ev): -14.2925 -14.2923 -13.4320 -13.4315 -9.8082 -9.8079 -9.1679 -9.1663 -1.1350 -1.1336 -0.0289 -0.0266 0.6205 0.6252 2.2345 2.2447 2.9991 3.0084 3.2401 3.2471 3.5854 3.5985 4.4578 4.4609 4.5632 4.5650 4.9067 4.9078 6.0891 6.0892 6.7902 6.7908 14.9966 14.9966 17.8120 17.8173 18.1263 18.1298 18.5676 18.5687 k = 0.2679-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.2684 -14.2682 -13.4320 -13.4316 -9.7880 -9.7877 -9.1635 -9.1619 -1.1020 -1.1005 -0.0320 -0.0296 0.6371 0.6420 2.2015 2.2119 2.9170 2.9257 3.2647 3.2720 3.5336 3.5462 4.4027 4.4061 4.5641 4.5652 4.8472 4.8477 6.0792 6.0793 6.7580 6.7586 15.1022 15.1022 17.8524 17.8578 18.1951 18.1988 18.5918 18.5927 k = 0.2768-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.2439 -14.2437 -13.4324 -13.4320 -9.7675 -9.7672 -9.1595 -9.1579 -1.0685 -1.0670 -0.0354 -0.0330 0.6528 0.6581 2.1708 2.1815 2.8347 2.8429 3.2900 3.2974 3.4807 3.4929 4.3505 4.3542 4.5618 4.5619 4.7924 4.7929 6.0691 6.0692 6.7249 6.7255 15.2074 15.2074 17.8821 17.8874 18.2563 18.2602 18.6289 18.6293 k = 0.2857-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.2191 -14.2189 -13.4333 -13.4328 -9.7467 -9.7464 -9.1560 -9.1543 -1.0345 -1.0331 -0.0394 -0.0369 0.6678 0.6733 2.1430 2.1539 2.7525 2.7602 3.3154 3.3230 3.4271 3.4389 4.3017 4.3057 4.5524 4.5537 4.7444 4.7463 6.0590 6.0591 6.6912 6.6918 15.3120 15.3120 17.9023 17.9073 18.3091 18.3131 18.6772 18.6773 k = 0.2946-0.0000-0.0000 ( 2064 PWs) bands (ev): -14.1941 -14.1939 -13.4346 -13.4341 -9.7257 -9.7254 -9.1529 -9.1512 -1.0003 -0.9988 -0.0439 -0.0414 0.6818 0.6876 2.1182 2.1294 2.6705 2.6778 3.3402 3.3478 3.3730 3.3842 4.2568 4.2612 4.5331 4.5360 4.7074 4.7108 6.0488 6.0489 6.6567 6.6573 15.4158 15.4158 17.9151 17.9198 18.3528 18.3569 18.7341 18.7349 k = 0.3036-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.1689 -14.1686 -13.4364 -13.4359 -9.7045 -9.7042 -9.1503 -9.1486 -0.9657 -0.9642 -0.0489 -0.0463 0.6949 0.7010 2.0968 2.1082 2.5890 2.5959 3.3176 3.3290 3.3642 3.3726 4.2164 4.2212 4.5022 4.5063 4.6836 4.6882 6.0386 6.0388 6.6217 6.6223 15.5187 15.5187 17.9229 17.9272 18.3867 18.3909 18.7977 18.7993 k = 0.3125-0.0000-0.0000 ( 2062 PWs) bands (ev): -14.1435 -14.1432 -13.4388 -13.4383 -9.6832 -9.6828 -9.1483 -9.1466 -0.9310 -0.9295 -0.0544 -0.0518 0.7072 0.7135 2.0790 2.0906 2.5080 2.5146 3.2626 3.2737 3.3864 3.3951 4.1811 4.1863 4.4618 4.4664 4.6710 4.6762 6.0285 6.0286 6.5862 6.5868 15.6204 15.6204 17.9278 17.9318 18.4102 18.4144 18.8655 18.8678 k = 0.3214-0.0000-0.0000 ( 2060 PWs) bands (ev): -14.1179 -14.1177 -13.4418 -13.4413 -9.6618 -9.6614 -9.1469 -9.1452 -0.8961 -0.8947 -0.0605 -0.0579 0.7187 0.7252 2.0648 2.0766 2.4278 2.4340 3.2076 3.2184 3.4064 3.4154 4.1516 4.1572 4.4158 4.4206 4.6654 4.6707 6.0184 6.0186 6.5503 6.5509 15.7208 15.7208 17.9317 17.9354 18.4226 18.4267 18.9353 18.9385 k = 0.3304-0.0000-0.0000 ( 2064 PWs) bands (ev): -14.0923 -14.0921 -13.4453 -13.4448 -9.6403 -9.6399 -9.1461 -9.1444 -0.8613 -0.8600 -0.0671 -0.0645 0.7296 0.7363 2.0542 2.0662 2.3483 2.3543 3.1527 3.1633 3.4236 3.4330 4.1285 4.1345 4.3672 4.3720 4.6635 4.6687 6.0085 6.0087 6.5141 6.5147 15.8197 15.8197 17.9362 17.9396 18.4234 18.4274 19.0050 19.0092 k = 0.3393-0.0000-0.0000 ( 2064 PWs) bands (ev): -14.0667 -14.0664 -13.4495 -13.4490 -9.6188 -9.6183 -9.1460 -9.1443 -0.8266 -0.8253 -0.0743 -0.0717 0.7400 0.7468 2.0472 2.0594 2.2699 2.2757 3.0982 3.1086 3.4376 3.4473 4.1122 4.1185 4.3176 4.3222 4.6633 4.6684 5.9988 5.9990 6.4778 6.4784 15.9170 15.9170 17.9422 17.9453 18.4126 18.4163 19.0727 19.0779 k = 0.3482-0.0000-0.0000 ( 2060 PWs) bands (ev): -14.0411 -14.0408 -13.4544 -13.4539 -9.5974 -9.5968 -9.1465 -9.1448 -0.7921 -0.7908 -0.0821 -0.0795 0.7502 0.7571 2.0437 2.0561 2.1925 2.1981 3.0442 3.0545 3.4482 3.4581 4.1031 4.1097 4.2678 4.2724 4.6638 4.6688 5.9894 5.9896 6.4414 6.4420 16.0124 16.0125 17.9507 17.9536 18.3907 18.3941 19.1357 19.1421 k = 0.3571-0.0000-0.0000 ( 2064 PWs) bands (ev): -14.0155 -14.0152 -13.4599 -13.4594 -9.5760 -9.5754 -9.1478 -9.1461 -0.7578 -0.7566 -0.0906 -0.0880 0.7604 0.7673 2.0435 2.0561 2.1164 2.1218 2.9911 3.0013 3.4554 3.4654 4.1011 4.1078 4.2183 4.2228 4.6644 4.6692 5.9804 5.9806 6.4051 6.4057 16.1059 16.1060 17.9624 17.9650 18.3582 18.3612 19.1907 19.1984 k = 0.3661-0.0000-0.0000 ( 2064 PWs) bands (ev): -13.9901 -13.9898 -13.4661 -13.4656 -9.5547 -9.5541 -9.1498 -9.1481 -0.7240 -0.7228 -0.0996 -0.0970 0.7709 0.7779 2.0414 2.0429 2.0504 2.0594 2.9389 2.9490 3.4596 3.4695 4.1060 4.1127 4.1694 4.1739 4.6646 4.6694 5.9718 5.9721 6.3691 6.3697 16.1973 16.1974 17.9777 17.9802 18.3164 18.3191 19.1963 19.1978 k = 0.3750-0.0000-0.0000 ( 2072 PWs) bands (ev): -13.9648 -13.9645 -13.4731 -13.4726 -9.5335 -9.5329 -9.1526 -9.1509 -0.6906 -0.6896 -0.1093 -0.1067 0.7820 0.7890 1.9680 1.9728 2.0529 2.0652 2.8878 2.8978 3.4613 3.4711 4.1166 4.1208 4.1240 4.1261 4.6642 4.6689 5.9638 5.9640 6.3335 6.3341 16.2864 16.2866 17.9971 17.9994 18.2669 18.2693 19.1740 19.1757 k = 0.3839-0.0000-0.0000 ( 2072 PWs) bands (ev): -13.9398 -13.9395 -13.4808 -13.4803 -9.5126 -9.5119 -9.1562 -9.1545 -0.6578 -0.6569 -0.1195 -0.1170 0.7940 0.8009 1.8961 1.9008 2.0614 2.0739 2.8380 2.8479 3.4614 3.4710 4.0738 4.0782 4.1336 4.1399 4.6629 4.6675 5.9564 5.9567 6.2985 6.2990 16.3732 16.3734 18.0209 18.0230 18.2113 18.2134 19.1554 19.1574 k = 0.3929-0.0000-0.0000 ( 2064 PWs) bands (ev): -13.9150 -13.9146 -13.4892 -13.4887 -9.4919 -9.4911 -9.1605 -9.1589 -0.6257 -0.6249 -0.1303 -0.1278 0.8072 0.8141 1.8257 1.8304 2.0725 2.0850 2.7895 2.7995 3.4607 3.4700 4.0274 4.0318 4.1544 4.1606 4.6605 4.6651 5.9497 5.9500 6.2642 6.2647 16.4577 16.4580 18.0493 18.0512 18.1509 18.1527 19.1395 19.1418 k = 0.4018-0.0000-0.0000 ( 2064 PWs) bands (ev): -13.8905 -13.8901 -13.4985 -13.4980 -9.4715 -9.4707 -9.1657 -9.1641 -0.5943 -0.5937 -0.1419 -0.1394 0.8219 0.8287 1.7570 1.7616 2.0857 2.0982 2.7425 2.7524 3.4600 3.4690 3.9820 3.9865 4.1788 4.1847 4.6569 4.6614 5.9439 5.9442 6.2308 6.2313 16.5398 16.5401 18.0810 18.0837 18.0883 18.0889 19.1258 19.1282 k = 0.4107-0.0000-0.0000 ( 2070 PWs) bands (ev): -13.8663 -13.8660 -13.5085 -13.5080 -9.4513 -9.4505 -9.1717 -9.1701 -0.5638 -0.5633 -0.1540 -0.1516 0.8384 0.8450 1.6900 1.6946 2.1009 2.1133 2.6970 2.7070 3.4600 3.4687 3.9378 3.9423 4.2058 4.2115 4.6519 4.6563 5.9390 5.9394 6.1985 6.1991 16.6195 16.6198 18.0204 18.0219 18.1201 18.1216 19.1133 19.1157 k = 0.4196-0.0000-0.0000 ( 2070 PWs) bands (ev): -13.8425 -13.8422 -13.5193 -13.5188 -9.4316 -9.4308 -9.1785 -9.1770 -0.5341 -0.5338 -0.1668 -0.1645 0.8569 0.8634 1.6249 1.6295 2.1178 2.1302 2.6531 2.6631 3.4613 3.4698 3.8947 3.8994 4.2349 4.2403 4.6453 4.6497 5.9353 5.9356 6.1675 6.1681 16.6970 16.6973 17.9524 17.9537 18.1623 18.1636 19.1014 19.1038 k = 0.4286-0.0000-0.0000 ( 2066 PWs) bands (ev): -13.8192 -13.8188 -13.5309 -13.5304 -9.4123 -9.4114 -9.1862 -9.1847 -0.5054 -0.5053 -0.1802 -0.1780 0.8776 0.8839 1.5618 1.5663 2.1364 2.1486 2.6109 2.6210 3.4645 3.4726 3.8530 3.8577 4.2652 4.2705 4.6370 4.6414 5.9327 5.9330 6.1380 6.1385 16.7724 16.7728 17.8833 17.8844 18.2089 18.2101 19.0888 19.0912 k = 0.4375-0.0000-0.0000 ( 2062 PWs) bands (ev): -13.7963 -13.7959 -13.5433 -13.5428 -9.3934 -9.3924 -9.1947 -9.1932 -0.4777 -0.4777 -0.1944 -0.1922 0.9006 0.9068 1.5007 1.5052 2.1563 2.1685 2.5703 2.5804 3.4699 3.4777 3.8127 3.8176 4.2963 4.3014 4.6269 4.6313 5.9314 5.9318 6.1101 6.1106 16.8460 16.8465 17.8137 17.8147 18.2596 18.2607 19.0734 19.0755 k = 0.4464-0.0000-0.0000 ( 2066 PWs) bands (ev): -13.7739 -13.7736 -13.5566 -13.5561 -9.3750 -9.3740 -9.2040 -9.2025 -0.4512 -0.4511 -0.2092 -0.2071 0.9263 0.9323 1.4416 1.4462 2.1776 2.1897 2.5313 2.5416 3.4777 3.4852 3.7740 3.7789 4.3276 4.3325 4.6149 4.6192 5.9316 5.9320 6.0839 6.0844 16.9179 16.9184 17.7439 17.7448 18.3141 18.3151 19.0503 19.0518 k = 0.4554-0.0000-0.0000 ( 2060 PWs) bands (ev): -13.7521 -13.7517 -13.5706 -13.5701 -9.3571 -9.3561 -9.2142 -9.2127 -0.4258 -0.4255 -0.2247 -0.2227 0.9545 0.9604 1.3848 1.3894 2.2001 2.2120 2.4940 2.5044 3.4881 3.4954 3.7369 3.7420 4.3588 4.3636 4.6010 4.6053 5.9334 5.9338 6.0597 6.0602 16.9885 16.9890 17.6742 17.6750 18.3720 18.3729 19.0128 19.0136 k = 0.4643-0.0000-0.0000 ( 2064 PWs) bands (ev): -13.7309 -13.7305 -13.5854 -13.5849 -9.3398 -9.3387 -9.2251 -9.2237 -0.4014 -0.4009 -0.2409 -0.2391 0.9855 0.9911 1.3303 1.3350 2.2238 2.2356 2.4583 2.4688 3.5013 3.5083 3.7016 3.7069 4.3894 4.3941 4.5850 4.5892 5.9368 5.9372 6.0375 6.0380 17.0580 17.0586 17.6047 17.6055 18.4329 18.4337 18.9602 18.9607 k = 0.4732-0.0000-0.0000 ( 2062 PWs) bands (ev): -13.7102 -13.7098 -13.6010 -13.6005 -9.3230 -9.3219 -9.2369 -9.2355 -0.3780 -0.3773 -0.2579 -0.2562 1.0192 1.0247 1.2782 1.2829 2.2487 2.2603 2.4242 2.4348 3.5173 3.5240 3.6683 3.6737 4.4192 4.4238 4.5669 4.5712 5.9421 5.9426 6.0173 6.0178 17.1267 17.1273 17.5357 17.5365 18.4964 18.4971 18.8986 18.8991 k = 0.4821-0.0000-0.0000 ( 2056 PWs) bands (ev): -13.6903 -13.6898 -13.6173 -13.6169 -9.3069 -9.3058 -9.2494 -9.2481 -0.3557 -0.3548 -0.2757 -0.2742 1.0556 1.0610 1.2284 1.2333 2.2748 2.2862 2.3915 2.4023 3.5360 3.5425 3.6371 3.6427 4.4479 4.4523 4.5468 4.5511 5.9494 5.9498 5.9994 5.9999 17.1949 17.1955 17.4671 17.4678 18.5618 18.5625 18.8328 18.8332 k = 0.4911-0.0000-0.0000 ( 2064 PWs) bands (ev): -13.6710 -13.6705 -13.6345 -13.6340 -9.2915 -9.2903 -9.2627 -9.2614 -0.3343 -0.3333 -0.2944 -0.2930 1.0948 1.1000 1.1813 1.1862 2.3020 2.3133 2.3603 2.3713 3.5574 3.5637 3.6081 3.6139 4.4751 4.4795 4.5248 4.5291 5.9587 5.9591 5.9836 5.9841 17.2628 17.2635 17.3987 17.3994 18.6288 18.6294 18.7650 18.7655 k = 0.5000-0.0000-0.0000 ( 2068 PWs) bands (ev): -13.6524 -13.6524 -13.6519 -13.6519 -9.2767 -9.2767 -9.2755 -9.2755 -0.3139 -0.3139 -0.3127 -0.3127 1.1367 1.1367 1.1418 1.1418 2.3305 2.3305 2.3416 2.3416 3.5815 3.5815 3.5876 3.5876 4.5008 4.5008 4.5052 4.5052 5.9701 5.9701 5.9705 5.9705 17.3307 17.3307 17.3314 17.3314 18.6968 18.6968 18.6973 18.6973 k = 0.5000-0.0000-0.0000 ( 2068 PWs) bands (ev): -13.6524 -13.6524 -13.6519 -13.6519 -9.2767 -9.2767 -9.2755 -9.2755 -0.3139 -0.3139 -0.3127 -0.3127 1.1367 1.1367 1.1418 1.1418 2.3305 2.3305 2.3416 2.3416 3.5815 3.5815 3.5876 3.5876 4.5008 4.5008 4.5052 4.5052 5.9701 5.9701 5.9705 5.9705 17.3307 17.3307 17.3314 17.3314 18.6968 18.6968 18.6973 18.6973 k = 0.5000 0.0088-0.0000 ( 2068 PWs) bands (ev): -13.6523 -13.6523 -13.6518 -13.6518 -9.2769 -9.2769 -9.2757 -9.2757 -0.3140 -0.3140 -0.3128 -0.3128 1.1368 1.1368 1.1419 1.1419 2.3300 2.3300 2.3411 2.3411 3.5812 3.5812 3.5873 3.5873 4.5009 4.5009 4.5053 4.5053 5.9711 5.9711 5.9717 5.9717 17.3312 17.3312 17.3320 17.3320 18.6962 18.6962 18.6967 18.6967 k = 0.5000 0.0176-0.0000 ( 2072 PWs) bands (ev): -13.6520 -13.6520 -13.6515 -13.6515 -9.2776 -9.2776 -9.2763 -9.2763 -0.3144 -0.3144 -0.3131 -0.3131 1.1373 1.1373 1.1423 1.1423 2.3283 2.3283 2.3395 2.3395 3.5805 3.5805 3.5868 3.5868 4.5012 4.5012 4.5057 4.5057 5.9743 5.9743 5.9753 5.9753 17.3328 17.3328 17.3340 17.3340 18.6944 18.6944 18.6950 18.6950 k = 0.5000 0.0265-0.0000 ( 2074 PWs) bands (ev): -13.6514 -13.6514 -13.6510 -13.6510 -9.2786 -9.2786 -9.2774 -9.2774 -0.3149 -0.3149 -0.3136 -0.3136 1.1380 1.1380 1.1431 1.1431 2.3254 2.3254 2.3367 2.3367 3.5794 3.5794 3.5859 3.5859 4.5018 4.5018 4.5063 4.5063 5.9797 5.9797 5.9810 5.9811 17.3356 17.3356 17.3371 17.3371 18.6916 18.6916 18.6922 18.6922 k = 0.5000 0.0353-0.0000 ( 2074 PWs) bands (ev): -13.6506 -13.6506 -13.6502 -13.6502 -9.2801 -9.2801 -9.2788 -9.2788 -0.3156 -0.3156 -0.3142 -0.3142 1.1390 1.1390 1.1441 1.1441 2.3213 2.3213 2.3327 2.3327 3.5780 3.5780 3.5848 3.5848 4.5025 4.5025 4.5072 4.5072 5.9873 5.9873 5.9890 5.9890 17.3394 17.3394 17.3414 17.3414 18.6876 18.6876 18.6884 18.6884 k = 0.5000 0.0441-0.0000 ( 2074 PWs) bands (ev): -13.6496 -13.6496 -13.6492 -13.6492 -9.2819 -9.2819 -9.2807 -9.2807 -0.3164 -0.3164 -0.3150 -0.3150 1.1403 1.1403 1.1455 1.1455 2.3157 2.3157 2.3273 2.3273 3.5765 3.5765 3.5836 3.5836 4.5035 4.5035 4.5084 4.5084 5.9969 5.9969 5.9989 5.9989 17.3441 17.3441 17.3466 17.3466 18.6827 18.6827 18.6836 18.6836 k = 0.5000 0.0529-0.0000 ( 2074 PWs) bands (ev): -13.6485 -13.6485 -13.6480 -13.6480 -9.2842 -9.2842 -9.2829 -9.2829 -0.3174 -0.3174 -0.3159 -0.3159 1.1419 1.1419 1.1471 1.1471 2.3087 2.3087 2.3205 2.3205 3.5751 3.5751 3.5825 3.5825 4.5047 4.5047 4.5098 4.5098 6.0084 6.0084 6.0108 6.0108 17.3498 17.3498 17.3528 17.3528 18.6769 18.6769 18.6780 18.6780 k = 0.5000 0.0618-0.0000 ( 2080 PWs) bands (ev): -13.6471 -13.6471 -13.6467 -13.6467 -9.2868 -9.2868 -9.2856 -9.2856 -0.3185 -0.3185 -0.3169 -0.3169 1.1439 1.1439 1.1492 1.1492 2.3002 2.3002 2.3120 2.3120 3.5739 3.5739 3.5817 3.5817 4.5062 4.5062 4.5115 4.5115 6.0217 6.0217 6.0244 6.0244 17.3563 17.3563 17.3596 17.3596 18.6703 18.6703 18.6716 18.6716 k = 0.5000 0.0706-0.0000 ( 2084 PWs) bands (ev): -13.6455 -13.6455 -13.6451 -13.6451 -9.2898 -9.2898 -9.2885 -9.2885 -0.3197 -0.3197 -0.3180 -0.3180 1.1463 1.1463 1.1516 1.1516 2.2899 2.2899 2.3018 2.3018 3.5731 3.5731 3.5812 3.5812 4.5080 4.5080 4.5136 4.5136 6.0366 6.0366 6.0396 6.0396 17.3634 17.3634 17.3672 17.3672 18.6630 18.6630 18.6646 18.6646 k = 0.5000 0.0794-0.0000 ( 2088 PWs) bands (ev): -13.6438 -13.6438 -13.6433 -13.6433 -9.2931 -9.2931 -9.2918 -9.2918 -0.3209 -0.3209 -0.3192 -0.3192 1.1490 1.1490 1.1544 1.1544 2.2779 2.2779 2.2899 2.2899 3.5728 3.5728 3.5810 3.5810 4.5103 4.5103 4.5162 4.5162 6.0529 6.0529 6.0562 6.0562 17.3709 17.3709 17.3752 17.3752 18.6550 18.6550 18.6569 18.6569 k = 0.5000 0.0882-0.0000 ( 2084 PWs) bands (ev): -13.6418 -13.6418 -13.6414 -13.6414 -9.2967 -9.2967 -9.2955 -9.2955 -0.3220 -0.3220 -0.3202 -0.3202 1.1521 1.1521 1.1575 1.1575 2.2641 2.2641 2.2761 2.2761 3.5728 3.5728 3.5813 3.5813 4.5132 4.5132 4.5194 4.5194 6.0704 6.0704 6.0740 6.0740 17.3789 17.3789 17.3836 17.3836 18.6465 18.6465 18.6486 18.6486 k = 0.5000 0.0971-0.0000 ( 2082 PWs) bands (ev): -13.6397 -13.6397 -13.6393 -13.6393 -9.3006 -9.3006 -9.2994 -9.2994 -0.3232 -0.3232 -0.3213 -0.3213 1.1555 1.1555 1.1610 1.1610 2.2486 2.2486 2.2606 2.2606 3.5733 3.5733 3.5819 3.5819 4.5170 4.5170 4.5234 4.5234 6.0889 6.0889 6.0927 6.0927 17.3870 17.3870 17.3921 17.3921 18.6374 18.6374 18.6399 18.6399 k = 0.5000 0.1059-0.0000 ( 2086 PWs) bands (ev): -13.6375 -13.6375 -13.6371 -13.6371 -9.3048 -9.3048 -9.3036 -9.3036 -0.3242 -0.3242 -0.3223 -0.3223 1.1592 1.1592 1.1648 1.1648 2.2314 2.2314 2.2433 2.2433 3.5740 3.5740 3.5826 3.5826 4.5217 4.5217 4.5284 4.5284 6.1081 6.1081 6.1122 6.1122 17.3952 17.3952 17.4007 17.4007 18.6278 18.6278 18.6306 18.6306 k = 0.5000 0.1147-0.0000 ( 2086 PWs) bands (ev): -13.6352 -13.6352 -13.6347 -13.6347 -9.3092 -9.3092 -9.3080 -9.3080 -0.3251 -0.3251 -0.3231 -0.3231 1.1633 1.1633 1.1689 1.1689 2.2126 2.2126 2.2244 2.2244 3.5748 3.5748 3.5834 3.5834 4.5277 4.5277 4.5347 4.5347 6.1279 6.1279 6.1321 6.1321 17.4033 17.4033 17.4092 17.4092 18.6177 18.6177 18.6208 18.6208 k = 0.5000 0.1235-0.0000 ( 2090 PWs) bands (ev): -13.6327 -13.6327 -13.6323 -13.6323 -9.3139 -9.3139 -9.3126 -9.3126 -0.3259 -0.3259 -0.3238 -0.3238 1.1676 1.1676 1.1732 1.1732 2.1925 2.1925 2.2041 2.2041 3.5754 3.5754 3.5839 3.5839 4.5352 4.5352 4.5425 4.5425 6.1480 6.1480 6.1523 6.1523 17.4112 17.4112 17.4174 17.4174 18.6072 18.6072 18.6106 18.6106 k = 0.5000 0.1324-0.0000 ( 2090 PWs) bands (ev): -13.6302 -13.6302 -13.6297 -13.6297 -9.3187 -9.3187 -9.3174 -9.3174 -0.3264 -0.3264 -0.3243 -0.3243 1.1721 1.1721 1.1777 1.1777 2.1713 2.1713 2.1826 2.1826 3.5754 3.5754 3.5839 3.5839 4.5444 4.5444 4.5520 4.5520 6.1681 6.1681 6.1726 6.1726 17.4188 17.4188 17.4254 17.4254 18.5961 18.5961 18.5999 18.5999 k = 0.5000 0.1412-0.0000 ( 2090 PWs) bands (ev): -13.6275 -13.6275 -13.6271 -13.6271 -9.3236 -9.3236 -9.3223 -9.3223 -0.3267 -0.3267 -0.3245 -0.3245 1.1767 1.1767 1.1823 1.1823 2.1492 2.1492 2.1602 2.1602 3.5747 3.5747 3.5831 3.5831 4.5555 4.5555 4.5634 4.5634 6.1880 6.1880 6.1926 6.1926 17.4261 17.4261 17.4330 17.4330 18.5846 18.5846 18.5887 18.5887 k = 0.5000 0.1500-0.0000 ( 2090 PWs) bands (ev): -13.6248 -13.6248 -13.6244 -13.6244 -9.3287 -9.3287 -9.3274 -9.3274 -0.3268 -0.3268 -0.3246 -0.3246 1.1813 1.1813 1.1869 1.1869 2.1265 2.1265 2.1372 2.1372 3.5730 3.5730 3.5813 3.5813 4.5688 4.5688 4.5769 4.5769 6.2076 6.2076 6.2123 6.2123 17.4330 17.4330 17.4402 17.4402 18.5727 18.5727 18.5771 18.5771 k = 0.5000 0.1588-0.0000 ( 2086 PWs) bands (ev): -13.6221 -13.6221 -13.6216 -13.6216 -9.3338 -9.3338 -9.3325 -9.3325 -0.3266 -0.3266 -0.3243 -0.3243 1.1858 1.1858 1.1914 1.1914 2.1036 2.1036 2.1138 2.1138 3.5700 3.5700 3.5782 3.5782 4.5842 4.5842 4.5926 4.5926 6.2266 6.2266 6.2313 6.2313 17.4394 17.4394 17.4468 17.4468 18.5603 18.5603 18.5651 18.5651 k = 0.5000 0.1677-0.0000 ( 2078 PWs) bands (ev): -13.6193 -13.6193 -13.6189 -13.6189 -9.3390 -9.3390 -9.3377 -9.3377 -0.3260 -0.3260 -0.3237 -0.3237 1.1901 1.1901 1.1957 1.1957 2.0807 2.0807 2.0905 2.0905 3.5655 3.5655 3.5738 3.5738 4.6019 4.6019 4.6106 4.6106 6.2448 6.2448 6.2497 6.2497 17.4454 17.4454 17.4530 17.4530 18.5475 18.5475 18.5526 18.5526 k = 0.5000 0.1765-0.0000 ( 2082 PWs) bands (ev): -13.6165 -13.6165 -13.6161 -13.6161 -9.3442 -9.3442 -9.3429 -9.3429 -0.3252 -0.3252 -0.3229 -0.3229 1.1941 1.1941 1.1996 1.1996 2.0581 2.0581 2.0675 2.0675 3.5596 3.5596 3.5679 3.5679 4.6216 4.6216 4.6306 4.6306 6.2622 6.2622 6.2670 6.2670 17.4508 17.4508 17.4586 17.4586 18.5342 18.5342 18.5396 18.5396 k = 0.5000 0.1853-0.0000 ( 2082 PWs) bands (ev): -13.6138 -13.6138 -13.6133 -13.6133 -9.3493 -9.3493 -9.3481 -9.3481 -0.3241 -0.3241 -0.3218 -0.3218 1.1977 1.1977 1.2031 1.2031 2.0362 2.0362 2.0451 2.0451 3.5521 3.5521 3.5606 3.5606 4.6434 4.6434 4.6527 4.6527 6.2785 6.2785 6.2834 6.2834 17.4558 17.4558 17.4638 17.4638 18.5206 18.5206 18.5263 18.5263 k = 0.5000 0.1941-0.0000 ( 2082 PWs) bands (ev): -13.6110 -13.6110 -13.6106 -13.6106 -9.3544 -9.3544 -9.3532 -9.3532 -0.3228 -0.3228 -0.3204 -0.3204 1.2007 1.2007 1.2060 1.2060 2.0153 2.0153 2.0236 2.0236 3.5432 3.5432 3.5518 3.5518 4.6670 4.6670 4.6765 4.6765 6.2936 6.2936 6.2985 6.2985 17.4604 17.4604 17.4685 17.4685 18.5067 18.5067 18.5127 18.5127 k = 0.5000 0.2030-0.0000 ( 2082 PWs) bands (ev): -13.6083 -13.6083 -13.6079 -13.6079 -9.3594 -9.3594 -9.3582 -9.3582 -0.3211 -0.3211 -0.3188 -0.3188 1.2031 1.2031 1.2081 1.2081 1.9956 1.9956 2.0034 2.0034 3.5329 3.5329 3.5417 3.5417 4.6922 4.6922 4.7018 4.7018 6.3075 6.3075 6.3124 6.3124 17.4646 17.4646 17.4728 17.4728 18.4926 18.4926 18.4988 18.4988 k = 0.5000 0.2118-0.0000 ( 2078 PWs) bands (ev): -13.6057 -13.6057 -13.6053 -13.6053 -9.3643 -9.3643 -9.3630 -9.3630 -0.3192 -0.3192 -0.3169 -0.3169 1.2047 1.2047 1.2095 1.2095 1.9774 1.9774 1.9846 1.9846 3.5215 3.5215 3.5306 3.5306 4.7185 4.7185 4.7283 4.7283 6.3200 6.3200 6.3250 6.3250 17.4685 17.4685 17.4767 17.4767 18.4784 18.4784 18.4848 18.4848 k = 0.5000 0.2206-0.0000 ( 2080 PWs) bands (ev): -13.6032 -13.6032 -13.6028 -13.6028 -9.3690 -9.3690 -9.3677 -9.3677 -0.3171 -0.3171 -0.3148 -0.3148 1.2055 1.2055 1.2101 1.2101 1.9608 1.9608 1.9675 1.9675 3.5092 3.5092 3.5185 3.5185 4.7455 4.7455 4.7556 4.7556 6.3313 6.3313 6.3362 6.3362 17.4721 17.4721 17.4803 17.4803 18.4642 18.4642 18.4708 18.4708 k = 0.5000 0.2294-0.0000 ( 2080 PWs) bands (ev): -13.6008 -13.6008 -13.6004 -13.6004 -9.3735 -9.3735 -9.3722 -9.3722 -0.3148 -0.3148 -0.3125 -0.3125 1.2056 1.2056 1.2098 1.2098 1.9459 1.9459 1.9521 1.9521 3.4962 3.4962 3.5058 3.5058 4.7730 4.7730 4.7833 4.7833 6.3412 6.3412 6.3461 6.3461 17.4754 17.4754 17.4836 17.4836 18.4500 18.4500 18.4568 18.4568 k = 0.5000 0.2383-0.0000 ( 2080 PWs) bands (ev): -13.5985 -13.5985 -13.5981 -13.5981 -9.3777 -9.3777 -9.3765 -9.3765 -0.3123 -0.3123 -0.3101 -0.3101 1.2048 1.2048 1.2087 1.2087 1.9329 1.9329 1.9386 1.9386 3.4829 3.4829 3.4928 3.4928 4.8005 4.8005 4.8109 4.8109 6.3498 6.3498 6.3547 6.3547 17.4784 17.4784 17.4866 17.4866 18.4362 18.4362 18.4431 18.4431 k = 0.5000 0.2471-0.0000 ( 2072 PWs) bands (ev): -13.5963 -13.5963 -13.5959 -13.5959 -9.3817 -9.3817 -9.3805 -9.3805 -0.3098 -0.3098 -0.3077 -0.3077 1.2033 1.2033 1.2068 1.2068 1.9217 1.9217 1.9270 1.9270 3.4694 3.4694 3.4796 3.4796 4.8274 4.8274 4.8380 4.8380 6.3571 6.3571 6.3620 6.3620 17.4813 17.4813 17.4894 17.4894 18.4227 18.4227 18.4298 18.4298 k = 0.5000 0.2559-0.0000 ( 2076 PWs) bands (ev): -13.5943 -13.5943 -13.5939 -13.5939 -9.3855 -9.3855 -9.3842 -9.3842 -0.3073 -0.3073 -0.3052 -0.3052 1.2011 1.2011 1.2043 1.2043 1.9122 1.9122 1.9172 1.9172 3.4562 3.4562 3.4667 3.4667 4.8535 4.8535 4.8642 4.8642 6.3632 6.3632 6.3681 6.3681 17.4840 17.4840 17.4919 17.4919 18.4098 18.4098 18.4170 18.4170 k = 0.5000 0.2647-0.0000 ( 2080 PWs) bands (ev): -13.5925 -13.5925 -13.5921 -13.5921 -9.3889 -9.3889 -9.3876 -9.3876 -0.3048 -0.3048 -0.3028 -0.3028 1.1985 1.1985 1.2013 1.2013 1.9044 1.9044 1.9091 1.9091 3.4435 3.4435 3.4542 3.4542 4.8782 4.8782 4.8890 4.8890 6.3681 6.3681 6.3731 6.3731 17.4864 17.4864 17.4943 17.4943 18.3977 18.3977 18.4050 18.4050 k = 0.5000 0.2735-0.0000 ( 2072 PWs) bands (ev): -13.5908 -13.5908 -13.5904 -13.5904 -9.3919 -9.3919 -9.3907 -9.3907 -0.3024 -0.3024 -0.3004 -0.3004 1.1956 1.1956 1.1980 1.1980 1.8981 1.8981 1.9027 1.9027 3.4315 3.4315 3.4425 3.4425 4.9011 4.9011 4.9121 4.9121 6.3721 6.3721 6.3771 6.3771 17.4887 17.4887 17.4965 17.4965 18.3865 18.3865 18.3939 18.3939 k = 0.5000 0.2824-0.0000 ( 2070 PWs) bands (ev): -13.5894 -13.5894 -13.5890 -13.5890 -9.3946 -9.3946 -9.3934 -9.3934 -0.3001 -0.3001 -0.2983 -0.2983 1.1925 1.1925 1.1946 1.1946 1.8931 1.8931 1.8977 1.8977 3.4205 3.4205 3.4318 3.4318 4.9219 4.9219 4.9330 4.9330 6.3752 6.3752 6.3802 6.3802 17.4908 17.4908 17.4984 17.4984 18.3764 18.3764 18.3838 18.3838 k = 0.5000 0.2912-0.0000 ( 2058 PWs) bands (ev): -13.5881 -13.5881 -13.5877 -13.5877 -9.3969 -9.3969 -9.3957 -9.3957 -0.2981 -0.2981 -0.2963 -0.2963 1.1895 1.1895 1.1912 1.1912 1.8893 1.8893 1.8938 1.8938 3.4108 3.4108 3.4223 3.4223 4.9402 4.9402 4.9513 4.9513 6.3776 6.3776 6.3825 6.3825 17.4926 17.4926 17.5001 17.5001 18.3675 18.3675 18.3749 18.3749 k = 0.5000 0.3000-0.0000 ( 2058 PWs) bands (ev): -13.5870 -13.5870 -13.5866 -13.5866 -9.3988 -9.3988 -9.3976 -9.3976 -0.2964 -0.2964 -0.2946 -0.2946 1.1868 1.1868 1.1882 1.1882 1.8864 1.8864 1.8910 1.8910 3.4026 3.4026 3.4142 3.4142 4.9556 4.9556 4.9668 4.9668 6.3793 6.3793 6.3842 6.3842 17.4941 17.4941 17.5015 17.5015 18.3600 18.3600 18.3675 18.3675 k = 0.5000 0.3088-0.0000 ( 2060 PWs) bands (ev): -13.5862 -13.5862 -13.5858 -13.5858 -9.4003 -9.4003 -9.3991 -9.3991 -0.2950 -0.2950 -0.2933 -0.2933 1.1845 1.1845 1.1856 1.1856 1.8844 1.8844 1.8891 1.8891 3.3960 3.3960 3.4078 3.4078 4.9679 4.9679 4.9792 4.9792 6.3805 6.3805 6.3854 6.3854 17.4954 17.4954 17.5027 17.5027 18.3540 18.3540 18.3615 18.3615 k = 0.5000 0.3177-0.0000 ( 2048 PWs) bands (ev): -13.5856 -13.5856 -13.5852 -13.5852 -9.4014 -9.4014 -9.4002 -9.4002 -0.2939 -0.2939 -0.2923 -0.2923 1.1829 1.1829 1.1835 1.1835 1.8830 1.8830 1.8878 1.8878 3.3911 3.3911 3.4031 3.4031 4.9769 4.9769 4.9882 4.9882 6.3813 6.3813 6.3862 6.3862 17.4963 17.4963 17.5035 17.5035 18.3497 18.3497 18.3572 18.3572 k = 0.5000 0.3265-0.0000 ( 2044 PWs) bands (ev): -13.5852 -13.5852 -13.5848 -13.5848 -9.4021 -9.4021 -9.4008 -9.4008 -0.2933 -0.2933 -0.2916 -0.2916 1.1819 1.1819 1.1822 1.1822 1.8823 1.8823 1.8871 1.8871 3.3882 3.3882 3.4002 3.4002 4.9824 4.9824 4.9937 4.9937 6.3817 6.3817 6.3867 6.3867 17.4969 17.4969 17.5040 17.5040 18.3471 18.3471 18.3546 18.3546 k = 0.5000 0.3353-0.0000 ( 2044 PWs) bands (ev): -13.5851 -13.5851 -13.5847 -13.5847 -9.4023 -9.4023 -9.4010 -9.4010 -0.2931 -0.2931 -0.2914 -0.2914 1.1816 1.1816 1.1817 1.1817 1.8820 1.8820 1.8869 1.8869 3.3872 3.3872 3.3992 3.3992 4.9842 4.9842 4.9956 4.9956 6.3819 6.3819 6.3868 6.3868 17.4971 17.4971 17.5042 17.5042 18.3462 18.3462 18.3537 18.3537 k = 0.5000 0.3353-0.0000 ( 2044 PWs) bands (ev): -13.5851 -13.5851 -13.5847 -13.5847 -9.4023 -9.4023 -9.4010 -9.4010 -0.2931 -0.2931 -0.2914 -0.2914 1.1816 1.1816 1.1817 1.1817 1.8820 1.8820 1.8869 1.8869 3.3872 3.3872 3.3992 3.3992 4.9842 4.9842 4.9956 4.9956 6.3819 6.3819 6.3868 6.3868 17.4971 17.4971 17.5042 17.5042 18.3462 18.3462 18.3537 18.3537 k = 0.4911 0.3353-0.0000 ( 2044 PWs) bands (ev): -13.6004 -13.6000 -13.5705 -13.5701 -9.4266 -9.4254 -9.3789 -9.3776 -0.3016 -0.2998 -0.2855 -0.2840 1.1719 1.1721 1.1949 1.1950 1.8359 1.8410 1.9289 1.9335 3.3608 3.3731 3.4154 3.4272 4.9675 4.9789 5.0019 5.0132 6.3504 6.3554 6.4130 6.4179 17.4629 17.4697 17.5306 17.5382 18.3144 18.3221 18.3801 18.3875 k = 0.4821 0.3353-0.0000 ( 2048 PWs) bands (ev): -13.6162 -13.6159 -13.5565 -13.5561 -9.4519 -9.4507 -9.3566 -9.3553 -0.3111 -0.3091 -0.2789 -0.2776 1.1659 1.1662 1.2118 1.2119 1.7906 1.7960 1.9765 1.9808 3.3363 3.3488 3.4455 3.4570 4.9518 4.9634 5.0206 5.0317 6.3186 6.3237 6.4438 6.4487 17.4283 17.4348 17.5633 17.5713 18.2849 18.2929 18.4157 18.4230 k = 0.4732 0.3353-0.0000 ( 2050 PWs) bands (ev): -13.6327 -13.6323 -13.5431 -13.5427 -9.4781 -9.4770 -9.3353 -9.3340 -0.3213 -0.3191 -0.2734 -0.2724 1.1636 1.1640 1.2323 1.2323 1.7462 1.7520 2.0247 2.0287 3.3136 3.3264 3.4775 3.4888 4.9372 4.9489 5.0401 5.0511 6.2866 6.2917 6.4743 6.4791 17.3934 17.3996 17.5946 17.6030 18.2584 18.2667 18.4528 18.4601 k = 0.4643 0.3353-0.0000 ( 2050 PWs) bands (ev): -13.6497 -13.6494 -13.5305 -13.5301 -9.5051 -9.5040 -9.3151 -9.3137 -0.3322 -0.3299 -0.2692 -0.2683 1.1649 1.1654 1.2562 1.2563 1.7029 1.7091 2.0734 2.0772 3.2927 3.3057 3.5114 3.5224 4.9239 4.9356 5.0604 5.0713 6.2543 6.2594 6.5044 6.5092 17.3583 17.3643 17.6238 17.6328 18.2354 18.2441 18.4911 18.4986 k = 0.4554 0.3353-0.0000 ( 2062 PWs) bands (ev): -13.6674 -13.6670 -13.5185 -13.5181 -9.5330 -9.5319 -9.2960 -9.2945 -0.3437 -0.3414 -0.2663 -0.2656 1.1697 1.1704 1.2836 1.2837 1.6608 1.6675 2.1226 2.1261 3.2736 3.2868 3.5473 3.5580 4.9116 4.9235 5.0813 5.0921 6.2218 6.2269 6.5341 6.5388 17.3229 17.3286 17.6502 17.6596 18.2167 18.2258 18.5304 18.5380 k = 0.4464 0.3353-0.0000 ( 2062 PWs) bands (ev): -13.6855 -13.6851 -13.5072 -13.5068 -9.5616 -9.5606 -9.2780 -9.2765 -0.3558 -0.3533 -0.2647 -0.2643 1.1779 1.1788 1.3144 1.3144 1.6202 1.6274 2.1723 2.1756 3.2563 3.2697 3.5851 3.5955 4.9007 4.9126 5.1029 5.1136 6.1891 6.1943 6.5635 6.5681 17.2873 17.2927 17.6727 17.6825 18.2033 18.2127 18.5704 18.5782 k = 0.4375 0.3353-0.0000 ( 2066 PWs) bands (ev): -13.7040 -13.7037 -13.4966 -13.4962 -9.5909 -9.5899 -9.2611 -9.2596 -0.3685 -0.3659 -0.2646 -0.2643 1.1891 1.1904 1.3484 1.3484 1.5814 1.5892 2.2223 2.2254 3.2407 3.2544 3.6248 3.6350 4.8910 4.9029 5.1250 5.1356 6.1562 6.1614 6.5924 6.5970 17.2512 17.2564 17.6901 17.7002 18.1964 18.2060 18.6108 18.6189 k = 0.4286 0.3353-0.0000 ( 2066 PWs) bands (ev): -13.7231 -13.7227 -13.4867 -13.4863 -9.6209 -9.6200 -9.2453 -9.2438 -0.3815 -0.3789 -0.2659 -0.2659 1.2028 1.2046 1.3855 1.3855 1.5449 1.5535 2.2727 2.2756 3.2270 3.2408 3.6666 3.6765 4.8826 4.8946 5.1475 5.1580 6.1231 6.1284 6.6209 6.6255 17.2145 17.2196 17.7014 17.7116 18.1968 18.2064 18.6512 18.6598 k = 0.4196 0.3353-0.0000 ( 2070 PWs) bands (ev): -13.7425 -13.7422 -13.4774 -13.4770 -9.6515 -9.6506 -9.2307 -9.2291 -0.3951 -0.3923 -0.2690 -0.2688 1.2182 1.2207 1.4257 1.4258 1.5115 1.5210 2.3233 2.3260 3.2151 3.2290 3.7103 3.7200 4.8754 4.8874 5.1703 5.1807 6.0900 6.0953 6.6491 6.6536 17.1772 17.1820 17.7059 17.7158 18.2053 18.2145 18.6911 18.7002 k = 0.4107 0.3353-0.0000 ( 2070 PWs) bands (ev): -13.7623 -13.7620 -13.4689 -13.4685 -9.6826 -9.6817 -9.2172 -9.2156 -0.4090 -0.4062 -0.2736 -0.2733 1.2338 1.2371 1.4689 1.4689 1.4828 1.4934 2.3743 2.3768 3.2049 3.2190 3.7561 3.7656 4.8695 4.8816 5.1934 5.2037 6.0568 6.0621 6.6768 6.6812 17.1390 17.1437 17.7033 17.7128 18.2215 18.2302 18.7298 18.7395 k = 0.4018 0.3353-0.0000 ( 2068 PWs) bands (ev): -13.7825 -13.7822 -13.4610 -13.4606 -9.7141 -9.7133 -9.2048 -9.2032 -0.4232 -0.4204 -0.2798 -0.2792 1.2469 1.2513 1.4611 1.4728 1.5151 1.5153 2.4254 2.4278 3.1967 3.2109 3.8039 3.8131 4.8649 4.8770 5.2165 5.2267 6.0236 6.0289 6.7041 6.7085 17.0998 17.1043 17.6942 17.7029 18.2449 18.2528 18.7666 18.7770 k = 0.3929 0.3353-0.0000 ( 2068 PWs) bands (ev): -13.8030 -13.8027 -13.4539 -13.4534 -9.7461 -9.7453 -9.1935 -9.1919 -0.4379 -0.4350 -0.2875 -0.2868 1.2540 1.2589 1.4509 1.4634 1.5639 1.5641 2.4765 2.4788 3.1903 3.2046 3.8537 3.8627 4.8616 4.8737 5.2397 5.2498 5.9904 5.9957 6.7310 6.7353 17.0594 17.0637 17.6791 17.6870 18.2743 18.2812 18.8003 18.8115 k = 0.3839 0.3353-0.0000 ( 2072 PWs) bands (ev): -13.8238 -13.8235 -13.4474 -13.4470 -9.7784 -9.7777 -9.1834 -9.1817 -0.4529 -0.4500 -0.2967 -0.2959 1.2518 1.2564 1.4557 1.4680 1.6154 1.6156 2.5277 2.5299 3.1860 3.2003 3.9055 3.9143 4.8595 4.8716 5.2628 5.2729 5.9572 5.9625 6.7574 6.7617 17.0177 17.0217 17.6588 17.6660 18.3084 18.3143 18.8294 18.8415 k = 0.3750 0.3353-0.0000 ( 2076 PWs) bands (ev): -13.8448 -13.8445 -13.4415 -13.4411 -9.8110 -9.8103 -9.1743 -9.1726 -0.4682 -0.4653 -0.3075 -0.3065 1.2403 1.2437 1.4754 1.4867 1.6695 1.6697 2.5786 2.5808 3.1838 3.1981 3.9593 3.9679 4.8586 4.8707 5.2857 5.2957 5.9240 5.9294 6.7834 6.7876 16.9743 16.9782 17.6343 17.6407 18.3459 18.3507 18.8524 18.8653 k = 0.3661 0.3353-0.0000 ( 2080 PWs) bands (ev): -13.8660 -13.8657 -13.4363 -13.4359 -9.8438 -9.8431 -9.1662 -9.1645 -0.4838 -0.4809 -0.3197 -0.3186 1.2221 1.2244 1.5064 1.5166 1.7260 1.7262 2.6292 2.6314 3.1839 3.1981 4.0150 4.0236 4.8589 4.8710 5.3084 5.3183 5.8911 5.8964 6.8090 6.8131 16.9294 16.9331 17.6060 17.6118 18.3856 18.3891 18.8669 18.8806 k = 0.3571 0.3353-0.0000 ( 2084 PWs) bands (ev): -13.8874 -13.8871 -13.4317 -13.4313 -9.8768 -9.8762 -9.1592 -9.1575 -0.4998 -0.4968 -0.3332 -0.3321 1.2003 1.2015 1.5454 1.5547 1.7847 1.7849 2.6790 2.6813 3.1866 3.2007 4.0727 4.0811 4.8603 4.8724 5.3307 5.3406 5.8582 5.8635 6.8341 6.8382 16.8825 16.8860 17.5745 17.5796 18.4261 18.4283 18.8711 18.8854 k = 0.3482 0.3353-0.0000 ( 2088 PWs) bands (ev): -13.9089 -13.9086 -13.4277 -13.4273 -9.9099 -9.9092 -9.1532 -9.1515 -0.5160 -0.5131 -0.3481 -0.3468 1.1768 1.1772 1.5902 1.5988 1.8456 1.8458 2.7277 2.7301 3.1923 3.2062 4.1323 4.1406 4.8628 4.8749 5.3525 5.3625 5.8256 5.8309 6.8588 6.8628 16.8338 16.8371 17.5400 17.5447 18.4657 18.4663 18.8634 18.8777 k = 0.3393 0.3353-0.0000 ( 2094 PWs) bands (ev): -13.9305 -13.9302 -13.4243 -13.4239 -9.9430 -9.9424 -9.1481 -9.1464 -0.5326 -0.5297 -0.3642 -0.3629 1.1525 1.1527 1.6396 1.6477 1.9085 1.9087 2.7746 2.7774 3.2016 3.2151 4.1937 4.2019 4.8664 4.8784 5.3738 5.3838 5.7932 5.7985 6.8830 6.8870 16.7830 16.7861 17.5028 17.5070 18.5004 18.5020 18.8431 18.8570 k = 0.3304 0.3353-0.0000 ( 2090 PWs) bands (ev): -13.9520 -13.9518 -13.4215 -13.4211 -9.9760 -9.9755 -9.1439 -9.1423 -0.5494 -0.5465 -0.3814 -0.3801 1.1281 1.1287 1.6928 1.7005 1.9733 1.9735 2.8192 2.8224 3.2151 3.2281 4.2569 4.2651 4.8710 4.8830 5.3946 5.4046 5.7611 5.7663 6.9068 6.9107 16.7302 16.7332 17.4632 17.4669 18.5259 18.5304 18.8106 18.8239 k = 0.3214 0.3353-0.0000 ( 2086 PWs) bands (ev): -13.9736 -13.9734 -13.4191 -13.4187 -10.0090 -10.0084 -9.1407 -9.1390 -0.5663 -0.5635 -0.3998 -0.3984 1.1043 1.1052 1.7494 1.7568 2.0397 2.0398 2.8605 2.8645 3.2335 3.2458 4.3218 4.3299 4.8765 4.8885 5.4147 5.4248 5.7293 5.7345 6.9301 6.9339 16.6753 16.6781 17.4211 17.4245 18.5346 18.5423 18.7672 18.7796 k = 0.3125 0.3353-0.0000 ( 2082 PWs) bands (ev): -13.9952 -13.9949 -13.4173 -13.4169 -10.0417 -10.0413 -9.1382 -9.1366 -0.5836 -0.5808 -0.4190 -0.4176 1.0811 1.0823 1.8090 1.8162 2.1075 2.1076 2.8979 2.9027 3.2576 3.2690 4.3883 4.3964 4.8829 4.8949 5.4341 5.4443 5.6979 5.7030 6.9529 6.9567 16.6183 16.6209 17.3767 17.3798 18.5160 18.5262 18.7146 18.7261 k = 0.3036 0.3353-0.0000 ( 2086 PWs) bands (ev): -14.0167 -14.0164 -13.4160 -13.4157 -10.0743 -10.0739 -9.1366 -9.1349 -0.6010 -0.5982 -0.4392 -0.4378 1.0589 1.0602 1.8713 1.8783 2.1767 2.1767 2.9309 2.9367 3.2879 3.2983 4.4563 4.4644 4.8901 4.9021 5.4528 5.4631 5.6669 5.6720 6.9752 6.9790 16.5593 16.5618 17.3302 17.3329 18.4662 18.4766 18.6544 18.6649 k = 0.2946 0.3353-0.0000 ( 2086 PWs) bands (ev): -14.0380 -14.0378 -13.4152 -13.4148 -10.1066 -10.1062 -9.1357 -9.1341 -0.6187 -0.6159 -0.4601 -0.4587 1.0375 1.0389 1.9360 1.9429 2.2467 2.2468 2.9592 2.9662 3.3245 3.3338 4.5256 4.5338 4.8981 4.9101 5.4706 5.4812 5.6364 5.6413 6.9970 7.0007 16.4984 16.5007 17.2814 17.2839 18.3924 18.4017 18.5880 18.5977 k = 0.2857 0.3353-0.0000 ( 2086 PWs) bands (ev): -14.0592 -14.0590 -13.4148 -13.4144 -10.1386 -10.1382 -9.1355 -9.1339 -0.6364 -0.6337 -0.4816 -0.4802 1.0170 1.0185 2.0030 2.0098 2.3173 2.3176 2.9835 2.9915 3.3669 3.3752 4.5961 4.6044 4.9069 4.9188 5.4876 5.4985 5.6064 5.6112 7.0183 7.0220 16.4355 16.4377 17.2306 17.2328 18.3040 18.3120 18.5166 18.5256 k = 0.2768 0.3353-0.0000 ( 2078 PWs) bands (ev): -14.0801 -14.0799 -13.4148 -13.4144 -10.1701 -10.1697 -9.1360 -9.1344 -0.6542 -0.6516 -0.5037 -0.5023 0.9974 0.9990 2.0720 2.0787 2.3884 2.3888 3.0043 3.0135 3.4145 3.4218 4.6677 4.6761 4.9163 4.9283 5.5038 5.5149 5.5772 5.5817 7.0391 7.0427 16.3709 16.3729 17.1778 17.1798 18.2072 18.2141 18.4411 18.4494 k = 0.2679 0.3353-0.0000 ( 2082 PWs) bands (ev): -14.1009 -14.1007 -13.4151 -13.4148 -10.2012 -10.2009 -9.1371 -9.1355 -0.6722 -0.6696 -0.5262 -0.5249 0.9787 0.9803 2.1429 2.1495 2.4593 2.4600 3.0228 3.0329 3.4662 3.4728 4.7400 4.7486 4.9263 4.9383 5.5183 5.5302 5.5493 5.5534 7.0593 7.0628 16.3047 16.3066 17.1230 17.1249 18.1053 18.1114 18.3623 18.3700 k = 0.2589 0.3353-0.0000 ( 2076 PWs) bands (ev): -14.1213 -14.1211 -13.4159 -13.4155 -10.2318 -10.2315 -9.1387 -9.1371 -0.6901 -0.6876 -0.5491 -0.5478 0.9609 0.9625 2.2154 2.2219 2.5296 2.5307 3.0401 3.0510 3.5213 3.5272 4.8128 4.8217 4.9368 4.9489 5.5162 5.5229 5.5380 5.5475 7.0790 7.0824 16.2370 16.2388 17.0665 17.0683 18.0004 18.0058 18.2807 18.2879 k = 0.2500 0.3353-0.0000 ( 2076 PWs) bands (ev): -14.1415 -14.1413 -13.4169 -13.4165 -10.2619 -10.2616 -9.1408 -9.1393 -0.7080 -0.7056 -0.5721 -0.5708 0.9439 0.9455 2.2893 2.2957 2.5986 2.6001 3.0571 3.0689 3.5789 3.5843 4.8859 4.8951 4.9479 4.9601 5.4906 5.4957 5.5505 5.5617 7.0981 7.1015 16.1681 16.1698 17.0083 17.0099 17.8936 17.8984 18.1969 18.2036 k = 0.2411 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.1612 -14.1611 -13.4182 -13.4179 -10.2913 -10.2910 -9.1434 -9.1419 -0.7259 -0.7235 -0.5952 -0.5940 0.9277 0.9293 2.3645 2.3709 2.6652 2.6673 3.0751 3.0878 3.6385 3.6435 4.9583 4.9593 4.9687 4.9722 5.4640 5.4689 5.5641 5.5760 7.1166 7.1199 16.0982 16.0998 16.9486 16.9501 17.7856 17.7900 18.1113 18.1175 k = 0.2321 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.1806 -14.1805 -13.4198 -13.4195 -10.3201 -10.3198 -9.1464 -9.1449 -0.7437 -0.7413 -0.6183 -0.6172 0.9123 0.9138 2.4407 2.4470 2.7284 2.7310 3.0957 3.1092 3.6994 3.7040 4.9713 4.9833 5.0315 5.0414 5.4381 5.4427 5.5778 5.5904 7.1344 7.1377 16.0273 16.0288 16.8874 16.8888 17.6772 17.6812 18.0244 18.0302 k = 0.2232 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.1996 -14.1995 -13.4216 -13.4213 -10.3482 -10.3479 -9.1497 -9.1483 -0.7613 -0.7590 -0.6414 -0.6403 0.8977 0.8991 2.5178 2.5241 2.7864 2.7895 3.1204 3.1346 3.7613 3.7656 4.9836 4.9957 5.1025 5.1131 5.4130 5.4174 5.5920 5.6052 7.1517 7.1549 15.9558 15.9572 16.8250 16.8263 17.5688 17.5725 17.9364 17.9418 k = 0.2143 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.2181 -14.2180 -13.4236 -13.4233 -10.3755 -10.3753 -9.1534 -9.1520 -0.7787 -0.7765 -0.6642 -0.6631 0.8837 0.8851 2.5955 2.6017 2.8375 2.8409 3.1513 3.1660 3.8237 3.8276 4.9962 5.0083 5.1715 5.1828 5.3888 5.3930 5.6071 5.6211 7.1683 7.1715 15.8839 15.8853 16.7616 16.7627 17.4608 17.4642 17.8479 17.8529 k = 0.2054 0.3353-0.0000 ( 2078 PWs) bands (ev): -14.2361 -14.2360 -13.4259 -13.4256 -10.4021 -10.4019 -9.1573 -9.1559 -0.7958 -0.7937 -0.6867 -0.6857 0.8705 0.8718 2.6736 2.6797 2.8803 2.8836 3.1897 3.2045 3.8861 3.8897 5.0089 5.0211 5.2370 5.2492 5.3657 5.3699 5.6242 5.6389 7.1843 7.1874 15.8119 15.8131 16.6972 16.6983 17.3537 17.3569 17.7591 17.7638 k = 0.1964 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.2536 -14.2535 -13.4282 -13.4279 -10.4278 -10.4276 -9.1614 -9.1601 -0.8127 -0.8106 -0.7089 -0.7079 0.8579 0.8592 2.7519 2.7580 2.9144 2.9173 3.2360 3.2504 3.9483 3.9516 5.0217 5.0339 5.2972 5.3107 5.3438 5.3486 5.6447 5.6600 7.1996 7.2026 15.7399 15.7411 16.6321 16.6332 17.2479 17.2508 17.6703 17.6747 k = 0.1875 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.2706 -14.2704 -13.4306 -13.4304 -10.4527 -10.4525 -9.1656 -9.1644 -0.8291 -0.8272 -0.7306 -0.7297 0.8459 0.8472 2.8301 2.8361 2.9407 2.9430 3.2890 3.3029 4.0099 4.0129 5.0344 5.0464 5.3234 5.3244 5.3550 5.3650 5.6708 5.6862 7.2142 7.2172 15.6682 15.6694 16.5665 16.5675 17.1437 17.1465 17.5820 17.5861 k = 0.1786 0.3353-0.0000 ( 2074 PWs) bands (ev): -14.2869 -14.2868 -13.4332 -13.4329 -10.4766 -10.4764 -9.1700 -9.1688 -0.8452 -0.8433 -0.7517 -0.7509 0.8346 0.8358 2.9078 2.9138 2.9609 2.9624 3.3468 3.3601 4.0706 4.0731 5.0467 5.0585 5.3047 5.3072 5.3989 5.4099 5.7042 5.7190 7.2281 7.2311 15.5972 15.5982 16.5007 16.5016 17.0415 17.0441 17.4944 17.4983 k = 0.1696 0.3353-0.0000 ( 2076 PWs) bands (ev): -14.3026 -14.3025 -13.4358 -13.4355 -10.4996 -10.4995 -9.1745 -9.1733 -0.8608 -0.8590 -0.7723 -0.7715 0.8239 0.8250 2.9751 2.9753 2.9869 2.9922 3.4077 3.4204 4.1299 4.1319 5.0582 5.0696 5.2883 5.2910 5.4343 5.4442 5.7460 5.7594 7.2414 7.2442 15.5270 15.5280 16.4348 16.4357 16.9418 16.9442 17.4080 17.4116 k = 0.1607 0.3353-0.0000 ( 2068 PWs) bands (ev): -14.3177 -14.3176 -13.4384 -13.4381 -10.5216 -10.5215 -9.1790 -9.1778 -0.8759 -0.8742 -0.7921 -0.7914 0.8138 0.8148 2.9875 2.9878 3.0622 3.0680 3.4700 3.4822 4.1876 4.1891 5.0683 5.0790 5.2748 5.2777 5.4604 5.4685 5.7953 5.8069 7.2539 7.2567 15.4580 15.4589 16.3691 16.3699 16.8449 16.8472 17.3231 17.3264 k = 0.1518 0.3353-0.0000 ( 2072 PWs) bands (ev): -14.3322 -14.3321 -13.4410 -13.4408 -10.5426 -10.5425 -9.1835 -9.1824 -0.8905 -0.8889 -0.8112 -0.8106 0.8042 0.8052 2.9968 2.9968 3.1376 3.1433 3.5325 3.5444 4.2434 4.2443 5.0761 5.0858 5.2649 5.2683 5.4783 5.4845 5.8502 5.8598 7.2657 7.2684 15.3904 15.3912 16.3039 16.3046 16.7511 16.7533 17.2399 17.2431 k = 0.1429 0.3353-0.0000 ( 2072 PWs) bands (ev): -14.3459 -14.3458 -13.4437 -13.4434 -10.5626 -10.5625 -9.1879 -9.1869 -0.9045 -0.9029 -0.8296 -0.8290 0.7953 0.7962 3.0039 3.0043 3.2116 3.2172 3.5945 3.6061 4.2971 4.2972 5.0806 5.0888 5.2598 5.2639 5.4899 5.4945 5.9083 5.9162 7.2768 7.2794 15.3245 15.3253 16.2394 16.2401 16.6609 16.6629 17.1590 17.1619 k = 0.1339 0.3353-0.0000 ( 2068 PWs) bands (ev): -14.3589 -14.3588 -13.4462 -13.4460 -10.5815 -10.5814 -9.1923 -9.1913 -0.9178 -0.9164 -0.8470 -0.8465 0.7869 0.7877 3.0098 3.0103 3.2839 3.2894 3.6552 3.6666 4.3475 4.3483 5.0811 5.0876 5.2600 5.2651 5.4968 5.4999 5.9677 5.9741 7.2872 7.2897 15.2606 15.2614 16.1759 16.1766 16.5746 16.5765 17.0806 17.0833 k = 0.1250 0.3353-0.0000 ( 2068 PWs) bands (ev): -14.3712 -14.3711 -13.4488 -13.4486 -10.5993 -10.5992 -9.1965 -9.1956 -0.9305 -0.9291 -0.8636 -0.8631 0.7790 0.7798 3.0146 3.0153 3.3543 3.3596 3.7141 3.7253 4.3952 4.3969 5.0773 5.0820 5.2656 5.2716 5.5000 5.5020 6.0270 6.0323 7.2968 7.2993 15.1990 15.1997 16.1138 16.1144 16.4925 16.4943 17.0051 17.0076 k = 0.1161 0.3353-0.0000 ( 2066 PWs) bands (ev): -14.3827 -14.3826 -13.4512 -13.4510 -10.6160 -10.6159 -9.2006 -9.1997 -0.9424 -0.9412 -0.8792 -0.8788 0.7717 0.7724 3.0186 3.0195 3.4222 3.4274 3.7709 3.7819 4.4400 4.4427 5.0699 5.0729 5.2760 5.2826 5.5005 5.5017 6.0852 6.0895 7.3058 7.3081 15.1401 15.1407 16.0534 16.0540 16.4150 16.4166 16.9329 16.9352 k = 0.1071 0.3353-0.0000 ( 2070 PWs) bands (ev): -14.3935 -14.3934 -13.4536 -13.4534 -10.6315 -10.6315 -9.2045 -9.2037 -0.9536 -0.9525 -0.8939 -0.8935 0.7649 0.7656 3.0220 3.0229 3.4875 3.4924 3.8249 3.8358 4.4820 4.4858 5.0597 5.0610 5.2900 5.2969 5.4990 5.4994 6.1415 6.1450 7.3140 7.3162 15.0840 15.0846 15.9950 15.9956 16.3424 16.3439 16.8643 16.8664 k = 0.0982 0.3353-0.0000 ( 2070 PWs) bands (ev): -14.4034 -14.4034 -13.4558 -13.4557 -10.6459 -10.6459 -9.2082 -9.2074 -0.9641 -0.9630 -0.9075 -0.9071 0.7587 0.7593 3.0249 3.0258 3.5497 3.5544 3.8761 3.8867 4.5212 4.5261 5.0473 5.0474 5.3065 5.3135 5.4958 5.4958 6.1952 6.1980 7.3215 7.3236 15.0311 15.0316 15.9392 15.9397 16.2748 16.2762 16.7997 16.8016 k = 0.0893 0.3353-0.0000 ( 2062 PWs) bands (ev): -14.4126 -14.4125 -13.4579 -13.4578 -10.6591 -10.6590 -9.2116 -9.2110 -0.9737 -0.9728 -0.9199 -0.9196 0.7531 0.7536 3.0274 3.0282 3.6085 3.6130 3.9239 3.9343 4.5576 4.5637 5.0324 5.0337 5.3245 5.3313 5.4910 5.4914 6.2459 6.2482 7.3283 7.3303 14.9816 14.9822 15.8863 15.8867 16.2126 16.2139 16.7394 16.7411 k = 0.0804 0.3353-0.0000 ( 2062 PWs) bands (ev): -14.4209 -14.4208 -13.4598 -13.4597 -10.6711 -10.6710 -9.2148 -9.2142 -0.9825 -0.9816 -0.9314 -0.9311 0.7479 0.7484 3.0295 3.0303 3.6634 3.6676 3.9681 3.9781 4.5916 4.5988 5.0165 5.0189 5.3432 5.3496 5.4856 5.4862 6.2930 6.2949 7.3345 7.3363 14.9360 14.9364 15.8367 15.8371 16.1558 16.1570 16.6837 16.6853 k = 0.0714 0.3353-0.0000 ( 2058 PWs) bands (ev): -14.4283 -14.4283 -13.4616 -13.4615 -10.6819 -10.6818 -9.2177 -9.2172 -0.9904 -0.9897 -0.9417 -0.9414 0.7433 0.7438 3.0312 3.0320 3.7141 3.7180 4.0085 4.0180 4.6232 4.6314 4.9999 5.0034 5.3619 5.3678 5.4797 5.4805 6.3362 6.3377 7.3400 7.3417 14.8943 14.8947 15.7909 15.7913 16.1047 16.1058 16.6330 16.6344 k = 0.0625 0.3353-0.0000 ( 2058 PWs) bands (ev): -14.4350 -14.4349 -13.4632 -13.4631 -10.6914 -10.6914 -9.2204 -9.2199 -0.9975 -0.9968 -0.9508 -0.9506 0.7393 0.7396 3.0327 3.0334 3.7602 3.7637 4.0448 4.0537 4.6528 4.6619 4.9827 4.9873 5.3798 5.3852 5.4737 5.4746 6.3752 6.3764 7.3448 7.3463 14.8569 14.8572 15.7493 15.7497 16.0594 16.0603 16.5875 16.5887 k = 0.0536 0.3353-0.0000 ( 2058 PWs) bands (ev): -14.4407 -14.4407 -13.4646 -13.4645 -10.6997 -10.6997 -9.2227 -9.2222 -1.0036 -1.0031 -0.9587 -0.9586 0.7358 0.7361 3.0340 3.0346 3.8012 3.8043 4.0768 4.0849 4.6805 4.6902 4.9652 4.9707 5.3965 5.4012 5.4679 5.4687 6.4097 6.4106 7.3489 7.3503 14.8239 14.8242 15.7124 15.7127 16.0199 16.0207 16.5476 16.5486 k = 0.0446 0.3353-0.0000 ( 2062 PWs) bands (ev): -14.4456 -14.4456 -13.4659 -13.4658 -10.7067 -10.7067 -9.2246 -9.2243 -1.0088 -1.0084 -0.9655 -0.9654 0.7328 0.7331 3.0350 3.0355 3.8368 3.8394 4.1043 4.1114 4.7065 4.7167 4.9475 4.9538 5.4113 5.4153 5.4626 5.4634 6.4393 6.4400 7.3524 7.3536 14.7957 14.7960 15.6805 15.6807 15.9864 15.9870 16.5133 16.5142 k = 0.0357 0.3353-0.0000 ( 2052 PWs) bands (ev): -14.4496 -14.4496 -13.4668 -13.4668 -10.7125 -10.7125 -9.2262 -9.2260 -1.0131 -1.0127 -0.9711 -0.9710 0.7304 0.7306 3.0358 3.0362 3.8665 3.8687 4.1272 4.1331 4.7309 4.7411 4.9298 4.9367 5.4236 5.4269 5.4584 5.4590 6.4639 6.4644 7.3553 7.3562 14.7723 14.7725 15.6539 15.6541 15.9589 15.9594 16.4851 16.4857 k = 0.0268 0.3353-0.0000 ( 2060 PWs) bands (ev): -14.4528 -14.4527 -13.4676 -13.4676 -10.7170 -10.7170 -9.2275 -9.2273 -1.0164 -1.0162 -0.9754 -0.9753 0.7285 0.7286 3.0365 3.0368 3.8901 3.8918 4.1453 4.1499 4.7534 4.7632 4.9126 4.9197 5.4327 5.4352 5.4558 5.4563 6.4832 6.4836 7.3576 7.3583 14.7540 14.7542 15.6329 15.6330 15.9374 15.9378 16.4629 16.4634 k = 0.0179 0.3353-0.0000 ( 2060 PWs) bands (ev): -14.4550 -14.4550 -13.4682 -13.4682 -10.7202 -10.7202 -9.2284 -9.2283 -1.0188 -1.0186 -0.9785 -0.9784 0.7272 0.7273 3.0369 3.0371 3.9073 3.9084 4.1585 4.1617 4.7735 4.7820 4.8971 4.9037 5.4379 5.4393 5.4555 5.4560 6.4971 6.4973 7.3592 7.3597 14.7408 14.7409 15.6177 15.6178 15.9221 15.9224 16.4470 16.4473 k = 0.0089 0.3353-0.0000 ( 2060 PWs) bands (ev): -14.4563 -14.4563 -13.4685 -13.4685 -10.7221 -10.7221 -9.2289 -9.2289 -1.0202 -1.0201 -0.9803 -0.9803 0.7264 0.7264 3.0372 3.0373 3.9178 3.9184 4.1668 4.1684 4.7896 4.7950 4.8858 4.8902 5.4397 5.4403 5.4568 5.4572 6.5055 6.5056 7.3602 7.3605 14.7329 14.7329 15.6086 15.6086 15.9129 15.9130 16.4374 16.4376 k = 0.0000 0.3353-0.0000 ( 2050 PWs) bands (ev): -14.4567 -14.4567 -13.4686 -13.4686 -10.7228 -10.7228 -9.2291 -9.2291 -1.0206 -1.0206 -0.9809 -0.9809 0.7261 0.7261 3.0374 3.0374 3.9215 3.9215 4.1701 4.1701 4.7980 4.7980 4.8830 4.8830 5.4402 5.4402 5.4577 5.4577 6.5084 6.5084 7.3607 7.3607 14.7303 14.7303 15.6055 15.6055 15.9099 15.9099 16.4343 16.4343 k = 0.0000 0.3353-0.0000 ( 2050 PWs) bands (ev): -14.4567 -14.4567 -13.4686 -13.4686 -10.7228 -10.7228 -9.2291 -9.2291 -1.0206 -1.0206 -0.9809 -0.9809 0.7261 0.7261 3.0374 3.0374 3.9215 3.9215 4.1701 4.1701 4.7980 4.7980 4.8830 4.8830 5.4402 5.4402 5.4577 5.4577 6.5084 6.5084 7.3607 7.3607 14.7303 14.7303 15.6055 15.6055 15.9099 15.9099 16.4343 16.4343 k = 0.0000 0.3265-0.0000 ( 2056 PWs) bands (ev): -14.4572 -14.4572 -13.4687 -13.4686 -10.7218 -10.7218 -9.2292 -9.2292 -1.0234 -1.0210 -0.9797 -0.9771 0.7231 0.7235 3.0372 3.0377 3.9210 3.9210 4.1725 4.1732 4.7975 4.7977 4.8829 4.8830 5.4394 5.4398 5.4577 5.4578 6.5085 6.5085 7.3603 7.3603 14.7256 14.7256 15.6070 15.6077 15.9106 15.9107 16.4355 16.4362 k = 0.0000 0.3177-0.0000 ( 2054 PWs) bands (ev): -14.4585 -14.4585 -13.4687 -13.4686 -10.7188 -10.7188 -9.2295 -9.2295 -1.0279 -1.0242 -0.9736 -0.9694 0.7146 0.7153 3.0372 3.0383 3.9193 3.9193 4.1801 4.1817 4.7961 4.7965 4.8827 4.8827 5.4370 5.4377 5.4584 5.4586 6.5086 6.5086 7.3592 7.3592 14.7120 14.7120 15.6119 15.6132 15.9128 15.9131 16.4397 16.4410 k = 0.0000 0.3088-0.0000 ( 2054 PWs) bands (ev): -14.4607 -14.4607 -13.4687 -13.4687 -10.7139 -10.7139 -9.2301 -9.2301 -1.0332 -1.0289 -0.9640 -0.9591 0.7007 0.7019 3.0372 3.0388 3.9166 3.9166 4.1929 4.1953 4.7941 4.7947 4.8822 4.8823 5.4320 5.4330 5.4606 5.4609 6.5089 6.5089 7.3573 7.3574 14.6897 14.6897 15.6197 15.6218 15.9168 15.9173 16.4465 16.4485 k = 0.0000 0.3000-0.0000 ( 2050 PWs) bands (ev): -14.4637 -14.4637 -13.4687 -13.4687 -10.7071 -10.7071 -9.2308 -9.2308 -1.0387 -1.0341 -0.9521 -0.9467 0.6820 0.6836 3.0369 3.0390 3.9129 3.9129 4.2105 4.2136 4.7918 4.7926 4.8816 4.8817 5.4240 5.4253 5.4648 5.4651 6.5094 6.5094 7.3548 7.3549 14.6594 14.6594 15.6301 15.6329 15.9227 15.9234 16.4555 16.4580 k = 0.0000 0.2912-0.0000 ( 2050 PWs) bands (ev): -14.4675 -14.4675 -13.4688 -13.4687 -10.6985 -10.6985 -9.2318 -9.2318 -1.0442 -1.0396 -0.9382 -0.9325 0.6590 0.6609 3.0362 3.0387 3.9082 3.9082 4.2321 4.2359 4.7897 4.7906 4.8808 4.8810 5.4133 5.4148 5.4707 5.4710 6.5099 6.5099 7.3517 7.3517 14.6219 14.6219 15.6424 15.6460 15.9307 15.9317 16.4661 16.4691 k = 0.0000 0.2824-0.0000 ( 2048 PWs) bands (ev): -14.4721 -14.4721 -13.4688 -13.4688 -10.6880 -10.6880 -9.2330 -9.2329 -1.0499 -1.0454 -0.9225 -0.9166 0.6322 0.6346 3.0346 3.0376 3.9026 3.9026 4.2569 4.2615 4.7886 4.7897 4.8799 4.8801 5.4000 5.4017 5.4782 5.4784 6.5105 6.5105 7.3479 7.3480 14.5780 14.5781 15.6563 15.6606 15.9409 15.9423 16.4775 16.4810 k = 0.0000 0.2735-0.0000 ( 2052 PWs) bands (ev): -14.4775 -14.4775 -13.4689 -13.4689 -10.6758 -10.6758 -9.2343 -9.2343 -1.0560 -1.0516 -0.9052 -0.8991 0.6025 0.6052 3.0319 3.0353 3.8960 3.8961 4.2837 4.2889 4.7894 4.7906 4.8789 4.8790 5.3842 5.3862 5.4869 5.4871 6.5113 6.5113 7.3437 7.3439 14.5285 14.5286 15.6715 15.6765 15.9532 15.9549 16.4893 16.4932 k = 0.0000 0.2647-0.0000 ( 2052 PWs) bands (ev): -14.4835 -14.4835 -13.4691 -13.4690 -10.6619 -10.6619 -9.2358 -9.2358 -1.0626 -1.0583 -0.8861 -0.8800 0.5706 0.5738 3.0279 3.0315 3.8887 3.8888 4.3109 4.3167 4.7935 4.7947 4.8777 4.8779 5.3660 5.3685 5.4969 5.4971 6.5121 6.5121 7.3391 7.3393 14.4742 14.4743 15.6879 15.6936 15.9674 15.9694 16.5008 16.5051 k = 0.0000 0.2559-0.0000 ( 2056 PWs) bands (ev): -14.4902 -14.4902 -13.4692 -13.4691 -10.6465 -10.6465 -9.2375 -9.2375 -1.0700 -1.0659 -0.8655 -0.8593 0.5374 0.5409 3.0222 3.0261 3.8807 3.8807 4.3366 4.3428 4.8024 4.8035 4.8763 4.8767 5.3457 5.3486 5.5080 5.5082 6.5130 6.5131 7.3341 7.3343 14.4157 14.4157 15.7056 15.7118 15.9831 15.9853 16.5115 16.5161 k = 0.0000 0.2471-0.0000 ( 2064 PWs) bands (ev): -14.4975 -14.4974 -13.4694 -13.4693 -10.6296 -10.6296 -9.2394 -9.2393 -1.0785 -1.0747 -0.8433 -0.8369 0.5035 0.5074 3.0147 3.0189 3.8721 3.8721 4.3588 4.3652 4.8178 4.8185 4.8749 4.8754 5.3236 5.3269 5.5200 5.5202 6.5140 6.5140 7.3289 7.3291 14.3536 14.3536 15.7247 15.7313 15.9997 16.0022 16.5211 16.5260 k = 0.0000 0.2383-0.0000 ( 2068 PWs) bands (ev): -14.5052 -14.5052 -13.4696 -13.4695 -10.6114 -10.6114 -9.2414 -9.2413 -1.0883 -1.0848 -0.8194 -0.8131 0.4697 0.4741 3.0054 3.0098 3.8628 3.8629 4.3757 4.3820 4.8406 4.8409 4.8733 4.8743 5.2998 5.3039 5.5329 5.5330 6.5151 6.5151 7.3235 7.3238 14.2884 14.2884 15.7452 15.7523 16.0168 16.0194 16.5296 16.5347 k = 0.0000 0.2294-0.0000 ( 2072 PWs) bands (ev): -14.5135 -14.5134 -13.4698 -13.4698 -10.5920 -10.5920 -9.2435 -9.2435 -1.0998 -1.0965 -0.7941 -0.7877 0.4368 0.4416 2.9942 2.9988 3.8532 3.8532 4.3862 4.3923 4.8662 4.8697 4.8727 4.8781 5.2752 5.2801 5.5465 5.5466 6.5163 6.5163 7.3181 7.3184 14.2207 14.2207 15.7671 15.7746 16.0339 16.0366 16.5368 16.5422 k = 0.0000 0.2206-0.0000 ( 2072 PWs) bands (ev): -14.5220 -14.5220 -13.4701 -13.4700 -10.5714 -10.5714 -9.2458 -9.2457 -1.1131 -1.1102 -0.7673 -0.7607 0.4055 0.4107 2.9810 2.9857 3.8431 3.8431 4.3902 4.3959 4.8690 4.8698 4.9069 4.9114 5.2508 5.2570 5.5608 5.5609 6.5175 6.5175 7.3126 7.3130 14.1509 14.1510 15.7906 15.7982 16.0505 16.0531 16.5432 16.5487 k = 0.0000 0.2118-0.0000 ( 2068 PWs) bands (ev): -14.5309 -14.5308 -13.4704 -13.4703 -10.5499 -10.5499 -9.2481 -9.2481 -1.1286 -1.1259 -0.7390 -0.7324 0.3762 0.3819 2.9659 2.9708 3.8328 3.8328 4.3884 4.3936 4.8676 4.8680 4.9457 4.9521 5.2290 5.2368 5.5755 5.5756 6.5188 6.5188 7.3072 7.3077 14.0795 14.0796 15.8152 15.8230 16.0660 16.0686 16.5491 16.5549 k = 0.0000 0.2030-0.0000 ( 2072 PWs) bands (ev): -14.5400 -14.5400 -13.4707 -13.4706 -10.5276 -10.5276 -9.2506 -9.2505 -1.1462 -1.1438 -0.7094 -0.7027 0.3495 0.3556 2.9489 2.9539 3.8222 3.8222 4.3817 4.3865 4.8659 4.8662 4.9810 4.9899 5.2149 5.2248 5.5906 5.5907 6.5201 6.5201 7.3020 7.3025 14.0069 14.0070 15.8407 15.8486 16.0800 16.0824 16.5555 16.5614 k = 0.0000 0.1941-0.0000 ( 2071 PWs) bands (ev): -14.5493 -14.5493 -13.4711 -13.4710 -10.5046 -10.5046 -9.2531 -9.2530 -1.1662 -1.1641 -0.6784 -0.6717 0.3256 0.3322 2.9302 2.9352 3.8115 3.8116 4.3714 4.3757 4.8641 4.8642 5.0031 5.0136 5.2183 5.2295 5.6060 5.6061 6.5215 6.5215 7.2969 7.2975 13.9335 13.9336 15.8667 15.8746 16.0920 16.0941 16.5633 16.5693 k = 0.0000 0.1853-0.0000 ( 2071 PWs) bands (ev): -14.5587 -14.5587 -13.4715 -13.4714 -10.4811 -10.4811 -9.2556 -9.2555 -1.1884 -1.1866 -0.6463 -0.6396 0.3049 0.3119 2.9098 2.9148 3.8008 3.8008 4.3583 4.3622 4.8621 4.8623 5.0044 5.0142 5.2471 5.2572 5.6215 5.6216 6.5229 6.5229 7.2921 7.2928 13.8597 13.8597 15.8926 15.9004 16.1015 16.1033 16.5737 16.5798 k = 0.0000 0.1765-0.0000 ( 2067 PWs) bands (ev): -14.5682 -14.5681 -13.4719 -13.4718 -10.4572 -10.4572 -9.2582 -9.2581 -1.2128 -1.2113 -0.6131 -0.6063 0.2874 0.2948 2.8878 2.8929 3.7901 3.7901 4.3433 4.3468 4.8602 4.8603 4.9878 4.9958 5.2964 5.3043 5.6371 5.6372 6.5243 6.5243 7.2876 7.2883 13.7858 13.7859 15.9179 15.9255 16.1080 16.1095 16.5880 16.5940 k = 0.0000 0.1677-0.0000 ( 2071 PWs) bands (ev): -14.5776 -14.5776 -13.4723 -13.4722 -10.4331 -10.4331 -9.2608 -9.2607 -1.2393 -1.2380 -0.5790 -0.5720 0.2731 0.2809 2.8645 2.8696 3.7795 3.7795 4.3270 4.3302 4.8582 4.8583 4.9605 4.9668 5.3568 5.3627 5.6527 5.6528 6.5257 6.5257 7.2833 7.2841 13.7123 13.7123 15.9420 15.9492 16.1111 16.1123 16.6073 16.6132 k = 0.0000 0.1588-0.0000 ( 2071 PWs) bands (ev): -14.5870 -14.5869 -13.4728 -13.4727 -10.4090 -10.4090 -9.2634 -9.2633 -1.2675 -1.2665 -0.5439 -0.5369 0.2620 0.2701 2.8401 2.8451 3.7690 3.7691 4.3100 4.3129 4.8563 4.8563 4.9274 4.9326 5.4225 5.4270 5.6681 5.6681 6.5271 6.5271 7.2794 7.2803 13.6394 13.6395 15.9643 15.9710 16.1108 16.1117 16.6326 16.6382 k = 0.0000 0.1500-0.0000 ( 2075 PWs) bands (ev): -14.5961 -14.5961 -13.4733 -13.4732 -10.3850 -10.3850 -9.2659 -9.2659 -1.2973 -1.2964 -0.5082 -0.5011 0.2536 0.2620 2.8146 2.8197 3.7588 3.7588 4.2927 4.2953 4.8543 4.8544 4.8912 4.8956 5.4907 5.4941 5.6832 5.6833 6.5285 6.5285 7.2758 7.2767 13.5676 13.5677 15.9844 15.9905 16.1070 16.1076 16.6645 16.6698 k = 0.0000 0.1412-0.0000 ( 2075 PWs) bands (ev): -14.6051 -14.6051 -13.4738 -13.4737 -10.3613 -10.3613 -9.2685 -9.2684 -1.3280 -1.3273 -0.4718 -0.4647 0.2479 0.2566 2.7885 2.7934 3.7488 3.7489 4.2754 4.2778 4.8515 4.8520 4.8542 4.8574 5.5597 5.5623 5.6980 5.6981 6.5298 6.5298 7.2725 7.2735 13.4972 13.4973 16.0021 16.0075 16.1001 16.1004 16.7032 16.7080 k = 0.0000 0.1324-0.0000 ( 2071 PWs) bands (ev): -14.6138 -14.6138 -13.4743 -13.4742 -10.3380 -10.3380 -9.2709 -9.2708 -1.3595 -1.3589 -0.4351 -0.4279 0.2443 0.2533 2.7618 2.7667 3.7392 3.7393 4.2583 4.2605 4.8146 4.8178 4.8506 4.8506 5.6283 5.6302 5.7124 5.7125 6.5312 6.5312 7.2695 7.2706 13.4286 13.4287 16.0172 16.0218 16.0907 16.0908 16.7485 16.7527 k = 0.0000 0.1235-0.0000 ( 2075 PWs) bands (ev): -14.6223 -14.6222 -13.4748 -13.4747 -10.3153 -10.3153 -9.2733 -9.2732 -1.3912 -1.3908 -0.3982 -0.3909 0.2426 0.2517 2.7349 2.7397 3.7300 3.7301 4.2417 4.2437 4.7758 4.7786 4.8487 4.8488 5.6955 5.6972 5.7262 5.7265 6.5324 6.5325 7.2668 7.2680 13.3622 13.3623 16.0294 16.0329 16.0794 16.0801 16.7996 16.8034 k = 0.0000 0.1147-0.0000 ( 2077 PWs) bands (ev): -14.6303 -14.6303 -13.4753 -13.4752 -10.2934 -10.2934 -9.2756 -9.2756 -1.4228 -1.4225 -0.3613 -0.3540 0.2423 0.2516 2.7081 2.7127 3.7213 3.7213 4.2258 4.2276 4.7374 4.7399 4.8470 4.8470 5.7391 5.7394 5.7618 5.7623 6.5337 6.5337 7.2645 7.2656 13.2982 13.2983 16.0377 16.0395 16.0684 16.0703 16.8561 16.8592 k = 0.0000 0.1059-0.0000 ( 2081 PWs) bands (ev): -14.6380 -14.6379 -13.4758 -13.4757 -10.2724 -10.2724 -9.2778 -9.2778 -1.4538 -1.4536 -0.3247 -0.3173 0.2430 0.2524 2.6816 2.6861 3.7130 3.7130 4.2106 4.2122 4.6998 4.7021 4.8453 4.8453 5.7519 5.7520 5.8246 5.8251 6.5349 6.5349 7.2623 7.2635 13.2371 13.2372 16.0372 16.0375 16.0628 16.0665 16.9169 16.9195 k = 0.0000 0.0971-0.0000 ( 2075 PWs) bands (ev): -14.6451 -14.6451 -13.4762 -13.4762 -10.2525 -10.2525 -9.2799 -9.2798 -1.4838 -1.4837 -0.2884 -0.2810 0.2443 0.2537 2.6558 2.6601 3.7052 3.7053 4.1964 4.1978 4.6636 4.6656 4.8437 4.8437 5.7638 5.7639 5.8848 5.8850 6.5360 6.5360 7.2605 7.2617 13.1793 13.1794 16.0265 16.0273 16.0652 16.0688 16.9811 16.9833 k = 0.0000 0.0882-0.0000 ( 2075 PWs) bands (ev): -14.6518 -14.6518 -13.4767 -13.4766 -10.2337 -10.2337 -9.2819 -9.2818 -1.5125 -1.5124 -0.2530 -0.2456 0.2458 0.2552 2.6309 2.6350 3.6980 3.6981 4.1831 4.1844 4.6290 4.6309 4.8422 4.8423 5.7749 5.7749 5.9415 5.9415 6.5371 6.5371 7.2589 7.2601 13.1250 13.1251 16.0129 16.0136 16.0695 16.0727 17.0479 17.0496 k = 0.0000 0.0794-0.0000 ( 2083 PWs) bands (ev): -14.6580 -14.6580 -13.4771 -13.4771 -10.2163 -10.2163 -9.2837 -9.2836 -1.5396 -1.5395 -0.2187 -0.2114 0.2472 0.2564 2.6073 2.6111 3.6914 3.6914 4.1709 4.1720 4.5966 4.5982 4.8409 4.8409 5.7850 5.7850 5.9942 5.9943 6.5380 6.5381 7.2574 7.2586 13.0747 13.0748 15.9989 15.9995 16.0736 16.0763 17.1160 17.1174 k = 0.0000 0.0706-0.0000 ( 2083 PWs) bands (ev): -14.6636 -14.6636 -13.4775 -13.4775 -10.2004 -10.2004 -9.2853 -9.2853 -1.5646 -1.5646 -0.1857 -0.1785 0.2483 0.2573 2.5853 2.5888 3.6854 3.6854 4.1598 4.1607 4.5665 4.5679 4.8396 4.8396 5.7942 5.7943 6.0426 6.0428 6.5389 6.5390 7.2562 7.2574 13.0286 13.0287 15.9852 15.9857 16.0770 16.0793 17.1845 17.1855 k = 0.0000 0.0618-0.0000 ( 2087 PWs) bands (ev): -14.6686 -14.6686 -13.4779 -13.4779 -10.1861 -10.1860 -9.2868 -9.2868 -1.5874 -1.5874 -0.1545 -0.1476 0.2488 0.2575 2.5651 2.5682 3.6800 3.6801 4.1498 4.1507 4.5392 4.5404 4.8385 4.8385 5.8025 5.8025 6.0863 6.0866 6.5398 6.5398 7.2552 7.2563 12.9870 12.9871 15.9724 15.9728 16.0797 16.0816 17.2518 17.2526 k = 0.0000 0.0529-0.0000 ( 2091 PWs) bands (ev): -14.6730 -14.6730 -13.4782 -13.4782 -10.1734 -10.1734 -9.2881 -9.2881 -1.6076 -1.6076 -0.1256 -0.1190 0.2488 0.2569 2.5470 2.5498 3.6754 3.6754 4.1411 4.1418 4.5149 4.5160 4.8375 4.8375 5.8098 5.8098 6.1250 6.1254 6.5405 6.5405 7.2543 7.2553 12.9504 12.9505 15.9609 15.9612 16.0818 16.0833 17.3166 17.3172 k = 0.0000 0.0441-0.0000 ( 2085 PWs) bands (ev): -14.6767 -14.6767 -13.4785 -13.4785 -10.1625 -10.1625 -9.2892 -9.2892 -1.6251 -1.6250 -0.0993 -0.0933 0.2482 0.2556 2.5313 2.5337 3.6714 3.6714 4.1337 4.1343 4.4939 4.4948 4.8366 4.8366 5.8160 5.8160 6.1584 6.1587 6.5411 6.5411 7.2537 7.2545 12.9189 12.9189 15.9508 15.9510 16.0834 16.0847 17.3771 17.3774 k = 0.0000 0.0353-0.0000 ( 2079 PWs) bands (ev): -14.6798 -14.6798 -13.4787 -13.4787 -10.1535 -10.1535 -9.2901 -9.2901 -1.6396 -1.6396 -0.0763 -0.0710 0.2472 0.2536 2.5182 2.5202 3.6681 3.6681 4.1275 4.1280 4.4764 4.4771 4.8359 4.8359 5.8211 5.8211 6.1861 6.1864 6.5416 6.5416 7.2531 7.2538 12.8927 12.8928 15.9423 15.9425 16.0846 16.0856 17.4312 17.4314 k = 0.0000 0.0265-0.0000 ( 2079 PWs) bands (ev): -14.6822 -14.6822 -13.4789 -13.4789 -10.1464 -10.1464 -9.2909 -9.2908 -1.6511 -1.6511 -0.0572 -0.0529 0.2460 0.2511 2.5079 2.5094 3.6655 3.6655 4.1227 4.1231 4.4626 4.4632 4.8354 4.8354 5.8251 5.8251 6.2079 6.2082 6.5420 6.5420 7.2527 7.2533 12.8722 12.8722 15.9355 15.9357 16.0855 16.0862 17.4768 17.4769 k = 0.0000 0.0176-0.0000 ( 2077 PWs) bands (ev): -14.6839 -14.6839 -13.4790 -13.4790 -10.1413 -10.1413 -9.2914 -9.2914 -1.6593 -1.6593 -0.0427 -0.0396 0.2450 0.2487 2.5005 2.5015 3.6637 3.6637 4.1193 4.1195 4.4527 4.4531 4.8350 4.8350 5.8280 5.8280 6.2237 6.2239 6.5423 6.5423 7.2524 7.2528 12.8574 12.8574 15.9306 15.9308 16.0861 16.0865 17.5116 17.5116 k = 0.0000 0.0088-0.0000 ( 2069 PWs) bands (ev): -14.6850 -14.6849 -13.4791 -13.4791 -10.1382 -10.1382 -9.2917 -9.2917 -1.6643 -1.6643 -0.0333 -0.0317 0.2447 0.2466 2.4961 2.4966 3.6626 3.6626 4.1172 4.1173 4.4468 4.4470 4.8348 4.8348 5.8297 5.8297 6.2332 6.2333 6.5425 6.5425 7.2523 7.2525 12.8485 12.8485 15.9277 15.9278 16.0865 16.0867 17.5334 17.5334 k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -14.6853 -14.6853 -13.4791 -13.4791 -10.1372 -10.1372 -9.2918 -9.2918 -1.6660 -1.6660 -0.0296 -0.0296 0.2452 0.2452 2.4948 2.4948 3.6622 3.6622 4.1166 4.1166 4.4449 4.4449 4.8347 4.8347 5.8303 5.8303 6.2364 6.2364 6.5426 6.5426 7.2524 7.2524 12.8455 12.8455 15.9267 15.9267 16.0867 16.0867 17.5409 17.5409 k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -14.6853 -14.6853 -13.4791 -13.4791 -10.1372 -10.1372 -9.2918 -9.2918 -1.6660 -1.6660 -0.0296 -0.0296 0.2452 0.2452 2.4948 2.4948 3.6622 3.6622 4.1166 4.1166 4.4449 4.4449 4.8347 4.8347 5.8303 5.8303 6.2364 6.2364 6.5426 6.5426 7.2524 7.2524 12.8455 12.8455 15.9267 15.9267 16.0867 16.0867 17.5409 17.5409 k = 0.0000 0.0000 0.0088 ( 2073 PWs) bands (ev): -14.6847 -14.6847 -13.4798 -13.4798 -10.1368 -10.1368 -9.2923 -9.2923 -1.6653 -1.6653 -0.0308 -0.0308 0.2469 0.2469 2.4966 2.4966 3.6627 3.6627 4.1120 4.1120 4.4477 4.4477 4.8339 4.8339 5.8307 5.8307 6.2360 6.2360 6.5422 6.5422 7.2491 7.2491 12.8490 12.8490 15.9278 15.9278 16.0899 16.0899 17.5403 17.5403 k = 0.0000 0.0000 0.0177 ( 2071 PWs) bands (ev): -14.6831 -14.6831 -13.4821 -13.4821 -10.1355 -10.1355 -9.2938 -9.2938 -1.6634 -1.6634 -0.0345 -0.0345 0.2521 0.2521 2.5020 2.5020 3.6643 3.6643 4.0987 4.0987 4.4557 4.4557 4.8317 4.8317 5.8318 5.8318 6.2349 6.2349 6.5411 6.5411 7.2394 7.2394 12.8594 12.8594 15.9311 15.9311 16.0997 16.0997 17.5385 17.5385 k = 0.0000 0.0000 0.0265 ( 2073 PWs) bands (ev): -14.6803 -14.6803 -13.4858 -13.4858 -10.1335 -10.1335 -9.2963 -9.2963 -1.6603 -1.6603 -0.0407 -0.0407 0.2608 0.2608 2.5110 2.5110 3.6670 3.6670 4.0776 4.0776 4.4680 4.4680 4.8279 4.8279 5.8337 5.8337 6.2330 6.2330 6.5393 6.5393 7.2234 7.2234 12.8767 12.8767 15.9366 15.9366 16.1158 16.1158 17.5356 17.5356 k = 0.0000 0.0000 0.0353 ( 2075 PWs) bands (ev): -14.6764 -14.6764 -13.4911 -13.4911 -10.1307 -10.1307 -9.2998 -9.2998 -1.6559 -1.6559 -0.0493 -0.0493 0.2730 0.2730 2.5236 2.5236 3.6707 3.6707 4.0500 4.0500 4.4834 4.4834 4.8227 4.8227 5.8363 5.8363 6.2304 6.2304 6.5368 6.5368 7.2011 7.2011 12.9006 12.9006 15.9440 15.9440 16.1383 16.1383 17.5314 17.5314 k = 0.0000 0.0000 0.0442 ( 2071 PWs) bands (ev): -14.6714 -14.6714 -13.4978 -13.4978 -10.1270 -10.1270 -9.3042 -9.3042 -1.6502 -1.6502 -0.0602 -0.0602 0.2886 0.2886 2.5397 2.5397 3.6755 3.6755 4.0169 4.0169 4.5008 4.5008 4.8160 4.8160 5.8397 5.8397 6.2270 6.2270 6.5335 6.5335 7.1729 7.1729 12.9312 12.9312 15.9535 15.9535 16.1671 16.1671 17.5261 17.5261 k = 0.0000 0.0000 0.0530 ( 2069 PWs) bands (ev): -14.6653 -14.6653 -13.5059 -13.5059 -10.1226 -10.1226 -9.3097 -9.3097 -1.6432 -1.6432 -0.0734 -0.0734 0.3076 0.3076 2.5593 2.5593 3.6813 3.6813 3.9790 3.9790 4.5196 4.5196 4.8079 4.8079 5.8438 5.8438 6.2228 6.2228 6.5296 6.5296 7.1391 7.1391 12.9680 12.9680 15.9648 15.9648 16.2019 16.2019 17.5196 17.5196 k = 0.0000 0.0000 0.0618 ( 2077 PWs) bands (ev): -14.6581 -14.6581 -13.5154 -13.5154 -10.1173 -10.1173 -9.3160 -9.3160 -1.6351 -1.6351 -0.0889 -0.0889 0.3299 0.3299 2.5824 2.5824 3.6882 3.6882 3.9368 3.9368 4.5390 4.5390 4.7984 4.7984 5.8487 5.8487 6.2180 6.2180 6.5249 6.5249 7.0999 7.0999 13.0109 13.0109 15.9778 15.9778 16.2425 16.2425 17.5120 17.5120 k = 0.0000 0.0000 0.0707 ( 2081 PWs) bands (ev): -14.6498 -14.6498 -13.5264 -13.5264 -10.1113 -10.1113 -9.3234 -9.3234 -1.6256 -1.6256 -0.1066 -0.1066 0.3556 0.3556 2.6090 2.6090 3.6961 3.6961 3.8909 3.8909 4.5587 4.5587 4.7875 4.7875 5.8542 5.8542 6.2124 6.2124 6.5195 6.5195 7.0557 7.0557 13.0596 13.0596 15.9923 15.9923 16.2889 16.2889 17.5034 17.5034 k = 0.0000 0.0000 0.0795 ( 2077 PWs) bands (ev): -14.6405 -14.6405 -13.5386 -13.5386 -10.1045 -10.1045 -9.3316 -9.3316 -1.6149 -1.6149 -0.1264 -0.1264 0.3847 0.3847 2.6389 2.6389 3.7050 3.7050 3.8415 3.8415 4.5784 4.5784 4.7753 4.7753 5.8605 5.8605 6.2061 6.2061 6.5134 6.5134 7.0070 7.0070 13.1138 13.1138 16.0079 16.0079 16.3407 16.3407 17.4938 17.4938 k = 0.0000 0.0000 0.0884 ( 2077 PWs) bands (ev): -14.6300 -14.6300 -13.5522 -13.5522 -10.0970 -10.0970 -9.3407 -9.3407 -1.6030 -1.6030 -0.1481 -0.1481 0.4169 0.4169 2.6721 2.6721 3.7149 3.7149 3.7889 3.7889 4.5978 4.5978 4.7618 4.7618 5.8675 5.8675 6.1991 6.1991 6.5066 6.5066 6.9542 6.9542 13.1731 13.1731 16.0245 16.0245 16.3977 16.3977 17.4834 17.4834 k = 0.0000 0.0000 0.0972 ( 2085 PWs) bands (ev): -14.6186 -14.6186 -13.5671 -13.5671 -10.0886 -10.0886 -9.3507 -9.3507 -1.5898 -1.5898 -0.1718 -0.1718 0.4524 0.4524 2.7086 2.7086 3.7250 3.7250 3.7340 3.7340 4.6167 4.6167 4.7470 4.7470 5.8751 5.8751 6.1913 6.1913 6.4992 6.4992 6.8978 6.8978 13.2372 13.2372 16.0415 16.0415 16.4595 16.4595 17.4724 17.4724 k = 0.0000 0.0000 0.1060 ( 2087 PWs) bands (ev): -14.6062 -14.6062 -13.5832 -13.5832 -10.0796 -10.0796 -9.3615 -9.3615 -1.5754 -1.5754 -0.1972 -0.1972 0.4910 0.4910 2.7482 2.7482 3.6742 3.6742 3.7380 3.7380 4.6349 4.6349 4.7311 4.7311 5.8834 5.8834 6.1829 6.1829 6.4911 6.4911 6.8383 6.8383 13.3058 13.3058 16.0585 16.0585 16.5259 16.5259 17.4610 17.4610 k = 0.0000 0.0000 0.1149 ( 2087 PWs) bands (ev): -14.5927 -14.5927 -13.6004 -13.6004 -10.0698 -10.0698 -9.3731 -9.3731 -1.5598 -1.5598 -0.2243 -0.2243 0.5326 0.5326 2.7910 2.7910 3.6128 3.6128 3.7508 3.7508 4.6520 4.6520 4.7141 4.7141 5.8924 5.8924 6.1739 6.1739 6.4823 6.4823 6.7763 6.7763 13.3785 13.3785 16.0751 16.0751 16.5964 16.5964 17.4497 17.4497 k = 0.0000 0.0000 0.1237 ( 2079 PWs) bands (ev): -14.5782 -14.5782 -13.6187 -13.6187 -10.0593 -10.0593 -9.3855 -9.3855 -1.5429 -1.5429 -0.2529 -0.2529 0.5773 0.5773 2.8367 2.8367 3.5487 3.5487 3.7647 3.7647 4.6676 4.6676 4.6964 4.6964 5.9020 5.9020 6.1642 6.1642 6.4728 6.4728 6.7122 6.7122 13.4551 13.4551 16.0906 16.0906 16.6708 16.6708 17.4389 17.4389 k = 0.0000 0.0000 0.1325 ( 2079 PWs) bands (ev): -14.5627 -14.5627 -13.6381 -13.6381 -10.0482 -10.0482 -9.3987 -9.3987 -1.5248 -1.5248 -0.2830 -0.2830 0.6249 0.6249 2.8853 2.8853 3.4821 3.4821 3.7794 3.7794 4.6738 4.6738 4.6854 4.6854 5.9122 5.9122 6.1540 6.1540 6.4628 6.4628 6.6468 6.6468 13.5351 13.5351 16.1042 16.1042 16.7485 16.7485 17.4291 17.4291 k = 0.0000 0.0000 0.1414 ( 2081 PWs) bands (ev): -14.5463 -14.5463 -13.6586 -13.6586 -10.0363 -10.0363 -9.4125 -9.4125 -1.5056 -1.5056 -0.3145 -0.3145 0.6753 0.6753 2.9368 2.9368 3.4132 3.4132 3.7951 3.7951 4.6555 4.6555 4.6961 4.6961 5.9231 5.9231 6.1431 6.1431 6.4520 6.4520 6.5807 6.5807 13.6183 13.6183 16.1151 16.1151 16.8291 16.8291 17.4209 17.4209 k = 0.0000 0.0000 0.1502 ( 2077 PWs) bands (ev): -14.5290 -14.5290 -13.6799 -13.6799 -10.0238 -10.0238 -9.4270 -9.4270 -1.4852 -1.4852 -0.3471 -0.3471 0.7285 0.7285 2.9910 2.9910 3.3421 3.3421 3.8117 3.8117 4.6347 4.6347 4.7062 4.7062 5.9344 5.9344 6.1317 6.1317 6.4404 6.4404 6.5147 6.5147 13.7043 13.7043 16.1225 16.1225 16.9121 16.9121 17.4151 17.4151 k = 0.0000 0.0000 0.1590 ( 2077 PWs) bands (ev): -14.5108 -14.5108 -13.7022 -13.7022 -10.0107 -10.0107 -9.4422 -9.4422 -1.4636 -1.4636 -0.3809 -0.3809 0.7843 0.7843 3.0477 3.0477 3.2690 3.2690 3.8291 3.8291 4.6128 4.6128 4.7139 4.7139 5.9464 5.9464 6.1198 6.1198 6.4262 6.4262 6.4512 6.4512 13.7929 13.7929 16.1255 16.1255 16.9970 16.9970 17.4125 17.4125 k = 0.0000 0.0000 0.1679 ( 2081 PWs) bands (ev): -14.4918 -14.4918 -13.7253 -13.7253 -9.9969 -9.9969 -9.4580 -9.4580 -1.4408 -1.4408 -0.4156 -0.4156 0.8428 0.8428 3.1069 3.1069 3.1940 3.1940 3.8473 3.8473 4.5901 4.5901 4.7184 4.7184 5.9588 5.9588 6.1075 6.1075 6.3811 6.3811 6.4194 6.4194 13.8837 13.8837 16.1231 16.1231 17.0832 17.0832 17.4137 17.4137 k = 0.0000 0.0000 0.1767 ( 2078 PWs) bands (ev): -14.4719 -14.4719 -13.7491 -13.7491 -9.9826 -9.9826 -9.4742 -9.4742 -1.4170 -1.4170 -0.4512 -0.4512 0.9037 0.9037 3.1171 3.1171 3.1686 3.1686 3.8664 3.8664 4.5667 4.5667 4.7192 4.7192 5.9718 5.9718 6.0947 6.0947 6.3197 6.3197 6.4055 6.4055 13.9764 13.9764 16.1146 16.1146 17.1698 17.1698 17.4194 17.4194 k = 0.0000 0.0000 0.1855 ( 2078 PWs) bands (ev): -14.4512 -14.4512 -13.7737 -13.7737 -9.9677 -9.9677 -9.4911 -9.4911 -1.3920 -1.3920 -0.4875 -0.4875 0.9669 0.9669 3.0389 3.0389 3.2323 3.2323 3.8862 3.8862 4.5426 4.5426 4.7158 4.7158 5.9851 5.9851 6.0816 6.0816 6.2603 6.2603 6.3919 6.3919 14.0707 14.0707 16.0994 16.0994 17.2563 17.2563 17.4302 17.4302 k = 0.0000 0.0000 0.1944 ( 2074 PWs) bands (ev): -14.4297 -14.4297 -13.7988 -13.7988 -9.9523 -9.9523 -9.5083 -9.5083 -1.3659 -1.3659 -0.5244 -0.5244 1.0325 1.0325 2.9592 2.9592 3.2981 3.2981 3.9068 3.9068 4.5179 4.5179 4.7077 4.7077 5.9990 5.9990 6.0682 6.0682 6.2043 6.2043 6.3780 6.3780 14.1664 14.1664 16.0770 16.0770 17.3416 17.3416 17.4463 17.4463 k = 0.0000 0.0000 0.2032 ( 2072 PWs) bands (ev): -14.4075 -14.4075 -13.8245 -13.8245 -9.9363 -9.9363 -9.5260 -9.5260 -1.3387 -1.3387 -0.5619 -0.5619 1.1002 1.1002 2.8783 2.8783 3.3658 3.3658 3.9281 3.9281 4.4927 4.4927 4.6941 4.6941 6.0131 6.0131 6.0546 6.0546 6.1527 6.1527 6.3637 6.3637 14.2632 14.2632 16.0471 16.0471 17.4246 17.4246 17.4678 17.4678 k = 0.0000 0.0000 0.2121 ( 2074 PWs) bands (ev): -14.3846 -14.3846 -13.8508 -13.8508 -9.9199 -9.9199 -9.5441 -9.5441 -1.3106 -1.3106 -0.5997 -0.5997 1.1699 1.1699 2.7963 2.7963 3.4351 3.4351 3.9501 3.9501 4.4670 4.4670 4.6748 4.6748 6.0274 6.0274 6.0409 6.0409 6.1062 6.1062 6.3491 6.3491 14.3609 14.3609 16.0099 16.0099 17.4927 17.4927 17.5061 17.5061 k = 0.0000 0.0000 0.2209 ( 2074 PWs) bands (ev): -14.3610 -14.3610 -13.8774 -13.8774 -9.9030 -9.9030 -9.5625 -9.5625 -1.2814 -1.2814 -0.6379 -0.6379 1.2416 1.2416 2.7135 2.7135 3.5060 3.5060 3.9728 3.9728 4.4409 4.4409 4.6493 4.6493 6.0268 6.0268 6.0411 6.0411 6.0665 6.0665 6.3342 6.3342 14.4590 14.4590 15.9656 15.9656 17.5246 17.5246 17.5806 17.5806 k = 0.0000 0.0000 0.2297 ( 2076 PWs) bands (ev): -14.3369 -14.3369 -13.9045 -13.9045 -9.8857 -9.8857 -9.5813 -9.5813 -1.2512 -1.2512 -0.6763 -0.6763 1.3150 1.3150 2.6298 2.6298 3.5782 3.5782 3.9960 3.9960 4.4145 4.4145 4.6175 4.6175 6.0127 6.0127 6.0274 6.0274 6.0603 6.0603 6.3189 6.3189 14.5574 14.5574 15.9144 15.9144 17.5596 17.5596 17.6499 17.6499 k = 0.0000 0.0000 0.2386 ( 2076 PWs) bands (ev): -14.3121 -14.3121 -13.9318 -13.9318 -9.8680 -9.8680 -9.6002 -9.6002 -1.2202 -1.2202 -0.7148 -0.7148 1.3902 1.3902 2.5456 2.5456 3.6515 3.6515 4.0198 4.0198 4.3879 4.3879 4.5793 4.5793 5.9951 5.9951 6.0030 6.0030 6.0749 6.0749 6.3033 6.3033 14.6559 14.6559 15.8569 15.8569 17.5975 17.5975 17.7118 17.7118 k = 0.0000 0.0000 0.2474 ( 2076 PWs) bands (ev): -14.2868 -14.2868 -13.9594 -13.9594 -9.8500 -9.8500 -9.6194 -9.6194 -1.1882 -1.1882 -0.7533 -0.7533 1.4669 1.4669 2.4610 2.4610 3.7256 3.7256 4.0442 4.0442 4.3610 4.3610 4.5350 4.5350 5.9732 5.9732 5.9884 5.9884 6.0906 6.0906 6.2874 6.2874 14.7540 14.7540 15.7936 15.7936 17.6375 17.6375 17.7648 17.7648 k = 0.0000 0.0000 0.2562 ( 2078 PWs) bands (ev): -14.2610 -14.2610 -13.9871 -13.9871 -9.8317 -9.8317 -9.6387 -9.6387 -1.1553 -1.1553 -0.7918 -0.7918 1.5451 1.5451 2.3761 2.3761 3.8002 3.8002 4.0691 4.0691 4.3340 4.3340 4.4849 4.4849 5.9553 5.9553 5.9757 5.9757 6.1066 6.1066 6.2714 6.2714 14.8515 14.8515 15.7250 15.7250 17.6784 17.6784 17.8073 17.8073 k = 0.0000 0.0000 0.2651 ( 2078 PWs) bands (ev): -14.2348 -14.2348 -14.0150 -14.0150 -9.8130 -9.8130 -9.6582 -9.6582 -1.1217 -1.1217 -0.8301 -0.8301 1.6246 1.6246 2.2911 2.2911 3.8750 3.8750 4.0944 4.0944 4.3069 4.3069 4.4297 4.4297 5.9425 5.9425 5.9642 5.9642 6.1228 6.1228 6.2551 6.2551 14.9482 14.9482 15.6516 15.6516 17.7188 17.7188 17.8384 17.8384 k = 0.0000 0.0000 0.2739 ( 2074 PWs) bands (ev): -14.2081 -14.2081 -14.0429 -14.0429 -9.7941 -9.7941 -9.6777 -9.6777 -1.0873 -1.0873 -0.8681 -0.8681 1.7052 1.7052 2.2061 2.2061 3.9497 3.9497 4.1201 4.1201 4.2797 4.2797 4.3699 4.3699 5.9343 5.9343 5.9538 5.9538 6.1392 6.1392 6.2387 6.2387 15.0438 15.0438 15.5740 15.5740 17.7574 17.7574 17.8575 17.8575 k = 0.0000 0.0000 0.2827 ( 2072 PWs) bands (ev): -14.1811 -14.1811 -14.0708 -14.0708 -9.7750 -9.7750 -9.6973 -9.6973 -1.0521 -1.0521 -0.9058 -0.9058 1.7870 1.7870 2.1213 2.1213 4.0238 4.0238 4.1461 4.1461 4.2525 4.2525 4.3062 4.3062 5.9302 5.9302 5.9447 5.9447 6.1557 6.1557 6.2222 6.2222 15.1379 15.1379 15.4927 15.4927 17.7926 17.7926 17.8645 17.8645 k = 0.0000 0.0000 0.2916 ( 2072 PWs) bands (ev): -14.1538 -14.1538 -14.0986 -14.0986 -9.7557 -9.7557 -9.7168 -9.7168 -1.0164 -1.0164 -0.9432 -0.9432 1.8696 1.8696 2.0369 2.0369 4.0969 4.0969 4.1725 4.1725 4.2246 4.2246 4.2403 4.2403 5.9297 5.9297 5.9374 5.9374 6.1723 6.1723 6.2056 6.2056 15.2302 15.2302 15.4080 15.4080 17.8226 17.8226 17.8602 17.8602 k = 0.0000 0.0000 0.3004 ( 2064 PWs) bands (ev): -14.1263 -14.1263 -14.1263 -14.1263 -9.7363 -9.7363 -9.7363 -9.7363 -0.9800 -0.9800 -0.9800 -0.9800 1.9529 1.9529 1.9529 1.9529 4.1679 4.1679 4.1679 4.1679 4.2002 4.2002 4.2002 4.2002 5.9323 5.9323 5.9323 5.9323 6.1890 6.1890 6.1890 6.1890 15.3203 15.3203 15.3203 15.3203 17.8457 17.8457 17.8457 17.8457 k = 0.0000 0.0000 0.3004 ( 2064 PWs) bands (ev): -14.1263 -14.1263 -14.1263 -14.1263 -9.7363 -9.7363 -9.7363 -9.7363 -0.9800 -0.9800 -0.9800 -0.9800 1.9529 1.9529 1.9529 1.9529 4.1679 4.1679 4.1679 4.1679 4.2002 4.2002 4.2002 4.2002 5.9323 5.9323 5.9323 5.9323 6.1890 6.1890 6.1890 6.1890 15.3203 15.3203 15.3203 15.3203 17.8457 17.8457 17.8457 17.8457 k = 0.0089-0.0000 0.3004 ( 2072 PWs) bands (ev): -14.1259 -14.1259 -14.1259 -14.1259 -9.7360 -9.7360 -9.7360 -9.7360 -0.9796 -0.9796 -0.9796 -0.9796 1.9529 1.9529 1.9529 1.9529 4.1383 4.1383 4.1454 4.1454 4.2201 4.2201 4.2271 4.2271 5.9293 5.9293 5.9321 5.9321 6.1877 6.1877 6.1902 6.1902 15.3227 15.3227 15.3228 15.3228 17.8490 17.8490 17.8493 17.8493 k = 0.0179-0.0000 0.3004 ( 2076 PWs) bands (ev): -14.1249 -14.1249 -14.1249 -14.1249 -9.7351 -9.7351 -9.7350 -9.7350 -0.9784 -0.9784 -0.9783 -0.9783 1.9528 1.9528 1.9529 1.9529 4.0981 4.0981 4.1056 4.1056 4.2521 4.2521 4.2595 4.2595 5.9233 5.9233 5.9287 5.9287 6.1865 6.1865 6.1914 6.1914 15.3298 15.3298 15.3299 15.3299 17.8591 17.8591 17.8597 17.8597 k = 0.0268-0.0000 0.3004 ( 2076 PWs) bands (ev): -14.1231 -14.1231 -14.1231 -14.1231 -9.7335 -9.7335 -9.7333 -9.7333 -0.9764 -0.9764 -0.9761 -0.9761 1.9527 1.9527 1.9528 1.9528 4.0547 4.0547 4.0623 4.0623 4.2827 4.2827 4.2901 4.2901 5.9142 5.9142 5.9220 5.9220 6.1854 6.1854 6.1927 6.1927 15.3417 15.3417 15.3418 15.3418 17.8759 17.8759 17.8768 17.8768 k = 0.0357-0.0000 0.3004 ( 2072 PWs) bands (ev): -14.1206 -14.1206 -14.1205 -14.1205 -9.7313 -9.7313 -9.7311 -9.7311 -0.9734 -0.9734 -0.9731 -0.9731 1.9525 1.9525 1.9526 1.9526 4.0088 4.0088 4.0164 4.0164 4.3108 4.3108 4.3182 4.3182 5.9020 5.9020 5.9121 5.9121 6.1847 6.1847 6.1939 6.1939 15.3582 15.3582 15.3584 15.3584 17.8993 17.8993 17.9005 17.9005 k = 0.0446-0.0000 0.3004 ( 2076 PWs) bands (ev): -14.1174 -14.1174 -14.1173 -14.1173 -9.7284 -9.7284 -9.7281 -9.7281 -0.9697 -0.9697 -0.9693 -0.9693 1.9521 1.9521 1.9523 1.9523 3.9606 3.9606 3.9681 3.9681 4.3363 4.3363 4.3435 4.3435 5.8868 5.8868 5.8988 5.8988 6.1844 6.1844 6.1954 6.1954 15.3792 15.3792 15.3794 15.3794 17.9292 17.9292 17.9307 17.9307 k = 0.0536-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.1136 -14.1136 -14.1134 -14.1134 -9.7249 -9.7249 -9.7246 -9.7246 -0.9651 -0.9651 -0.9646 -0.9646 1.9516 1.9516 1.9518 1.9518 3.9104 3.9104 3.9178 3.9178 4.3590 4.3590 4.3662 4.3662 5.8687 5.8687 5.8823 5.8823 6.1847 6.1847 6.1971 6.1971 15.4044 15.4044 15.4047 15.4047 17.9653 17.9653 17.9672 17.9672 k = 0.0625-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.1090 -14.1090 -14.1088 -14.1088 -9.7207 -9.7207 -9.7204 -9.7204 -0.9598 -0.9598 -0.9592 -0.9592 1.9508 1.9508 1.9510 1.9510 3.8583 3.8583 3.8657 3.8657 4.3790 4.3790 4.3860 4.3860 5.8477 5.8477 5.8627 5.8627 6.1857 6.1857 6.1991 6.1991 15.4338 15.4338 15.4341 15.4341 18.0074 18.0074 18.0096 18.0096 k = 0.0714-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.1037 -14.1037 -14.1036 -14.1036 -9.7160 -9.7160 -9.7156 -9.7156 -0.9536 -0.9536 -0.9530 -0.9530 1.9496 1.9496 1.9499 1.9499 3.8046 3.8046 3.8118 3.8118 4.3961 4.3961 4.4029 4.4029 5.8241 5.8241 5.8401 5.8401 6.1873 6.1873 6.2015 6.2015 15.4671 15.4671 15.4674 15.4674 18.0551 18.0551 18.0577 18.0577 k = 0.0804-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.0978 -14.0978 -14.0976 -14.0976 -9.7107 -9.7107 -9.7102 -9.7102 -0.9467 -0.9467 -0.9459 -0.9459 1.9480 1.9480 1.9483 1.9483 3.7495 3.7495 3.7566 3.7566 4.4102 4.4102 4.4169 4.4169 5.7981 5.7981 5.8149 5.8149 6.1896 6.1896 6.2044 6.2044 15.5039 15.5039 15.5043 15.5043 18.1081 18.1081 18.1111 18.1111 k = 0.0893-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.0913 -14.0913 -14.0911 -14.0911 -9.7047 -9.7047 -9.7043 -9.7043 -0.9390 -0.9390 -0.9382 -0.9382 1.9457 1.9457 1.9461 1.9461 3.6932 3.6932 3.7002 3.7002 4.4214 4.4214 4.4279 4.4279 5.7699 5.7699 5.7874 5.7874 6.1926 6.1926 6.2077 6.2077 15.5440 15.5440 15.5445 15.5445 18.1658 18.1658 18.1692 18.1692 k = 0.0982-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.0841 -14.0841 -14.0839 -14.0839 -9.6983 -9.6983 -9.6977 -9.6977 -0.9306 -0.9306 -0.9297 -0.9297 1.9427 1.9427 1.9432 1.9432 3.6362 3.6362 3.6430 3.6430 4.4295 4.4295 4.4358 4.4358 5.7400 5.7400 5.7579 5.7579 6.1962 6.1962 6.2115 6.2115 15.5872 15.5872 15.5878 15.5878 18.2277 18.2277 18.2316 18.2316 k = 0.1071-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.0763 -14.0763 -14.0760 -14.0760 -9.6912 -9.6912 -9.6906 -9.6906 -0.9215 -0.9215 -0.9205 -0.9205 1.9388 1.9388 1.9393 1.9393 3.5786 3.5786 3.5853 3.5853 4.4345 4.4345 4.4406 4.4406 5.7086 5.7086 5.7268 5.7268 6.2004 6.2004 6.2157 6.2157 15.6330 15.6330 15.6336 15.6336 18.2932 18.2932 18.2976 18.2976 k = 0.1161-0.0000 0.3004 ( 2080 PWs) bands (ev): -14.0679 -14.0679 -14.0676 -14.0676 -9.6836 -9.6836 -9.6830 -9.6830 -0.9117 -0.9117 -0.9106 -0.9106 1.9338 1.9338 1.9344 1.9344 3.5208 3.5208 3.5273 3.5273 4.4362 4.4362 4.4421 4.4421 5.6761 5.6761 5.6945 5.6945 6.2052 6.2052 6.2204 6.2204 15.6811 15.6811 15.6818 15.6818 18.3612 18.3612 18.3663 18.3663 k = 0.1250-0.0000 0.3004 ( 2072 PWs) bands (ev): -14.0589 -14.0589 -14.0586 -14.0586 -9.6755 -9.6755 -9.6749 -9.6749 -0.9012 -0.9012 -0.9000 -0.9000 1.9275 1.9275 1.9282 1.9282 3.4632 3.4632 3.4695 3.4695 4.4345 4.4345 4.4402 4.4402 5.6430 5.6430 5.6616 5.6616 6.2105 6.2105 6.2256 6.2256 15.7313 15.7313 15.7320 15.7320 18.4307 18.4307 18.4365 18.4365 k = 0.1339-0.0000 0.3004 ( 2056 PWs) bands (ev): -14.0494 -14.0494 -14.0491 -14.0491 -9.6669 -9.6669 -9.6662 -9.6662 -0.8901 -0.8901 -0.8888 -0.8888 1.9196 1.9196 1.9204 1.9204 3.4062 3.4062 3.4124 3.4124 4.4294 4.4294 4.4349 4.4349 5.6097 5.6097 5.6283 5.6283 6.2162 6.2162 6.2312 6.2312 15.7830 15.7830 15.7838 15.7838 18.5000 18.5000 18.5067 18.5067 k = 0.1429-0.0000 0.3004 ( 2056 PWs) bands (ev): -14.0394 -14.0394 -14.0391 -14.0391 -9.6579 -9.6579 -9.6571 -9.6571 -0.8785 -0.8785 -0.8771 -0.8771 1.9098 1.9098 1.9108 1.9108 3.3503 3.3503 3.3562 3.3562 4.4208 4.4208 4.4261 4.4261 5.5765 5.5765 5.5952 5.5952 6.2224 6.2224 6.2371 6.2371 15.8360 15.8360 15.8369 15.8369 18.5667 18.5667 18.5745 18.5745 k = 0.1518-0.0000 0.3004 ( 2056 PWs) bands (ev): -14.0288 -14.0288 -14.0285 -14.0285 -9.6484 -9.6484 -9.6476 -9.6476 -0.8663 -0.8663 -0.8648 -0.8648 1.8980 1.8980 1.8992 1.8992 3.2957 3.2957 3.3014 3.3014 4.4085 4.4085 4.4137 4.4137 5.5440 5.5440 5.5627 5.5627 6.2289 6.2289 6.2434 6.2434 15.8898 15.8898 15.8907 15.8907 18.6273 18.6273 18.6363 18.6363 k = 0.1607-0.0000 0.3004 ( 2060 PWs) bands (ev): -14.0179 -14.0179 -14.0176 -14.0176 -9.6384 -9.6384 -9.6376 -9.6376 -0.8536 -0.8536 -0.8521 -0.8521 1.8839 1.8839 1.8853 1.8853 3.2430 3.2430 3.2484 3.2484 4.3925 4.3925 4.3976 4.3976 5.5124 5.5124 5.5310 5.5310 6.2358 6.2358 6.2500 6.2500 15.9441 15.9441 15.9451 15.9451 18.6765 18.6765 18.6866 18.6866 k = 0.1696-0.0000 0.3004 ( 2062 PWs) bands (ev): -14.0065 -14.0065 -14.0061 -14.0061 -9.6281 -9.6281 -9.6273 -9.6273 -0.8405 -0.8405 -0.8388 -0.8388 1.8671 1.8671 1.8687 1.8687 3.1926 3.1926 3.1977 3.1977 4.3729 4.3729 4.3778 4.3778 5.4821 5.4821 5.5006 5.5006 6.2430 6.2430 6.2569 6.2569 15.9985 15.9985 15.9996 15.9996 18.7075 18.7075 18.7184 18.7184 k = 0.1786-0.0000 0.3004 ( 2054 PWs) bands (ev): -13.9946 -13.9946 -13.9943 -13.9943 -9.6174 -9.6174 -9.6166 -9.6166 -0.8269 -0.8269 -0.8251 -0.8251 1.8475 1.8475 1.8494 1.8494 3.1449 3.1449 3.1497 3.1497 4.3497 4.3497 4.3545 4.3545 5.4534 5.4534 5.4717 5.4717 6.2505 6.2505 6.2642 6.2642 16.0527 16.0527 16.0539 16.0539 18.7146 18.7146 18.7255 18.7255 k = 0.1875-0.0000 0.3004 ( 2056 PWs) bands (ev): -13.9824 -13.9824 -13.9821 -13.9821 -9.6064 -9.6064 -9.6055 -9.6055 -0.8130 -0.8130 -0.8111 -0.8111 1.8248 1.8248 1.8270 1.8270 3.1002 3.1002 3.1047 3.1047 4.3230 4.3230 4.3276 4.3276 5.4264 5.4264 5.4445 5.4445 6.2583 6.2583 6.2717 6.2717 16.1062 16.1062 16.1075 16.1075 18.6972 18.6972 18.7072 18.7072 k = 0.1964-0.0000 0.3004 ( 2056 PWs) bands (ev): -13.9699 -13.9699 -13.9696 -13.9696 -9.5951 -9.5951 -9.5942 -9.5942 -0.7988 -0.7988 -0.7968 -0.7968 1.7990 1.7990 1.8015 1.8015 3.0588 3.0588 3.0629 3.0629 4.2930 4.2930 4.2976 4.2976 5.4012 5.4012 5.4191 5.4191 6.2663 6.2663 6.2794 6.2794 16.1588 16.1588 16.1602 16.1602 18.6601 18.6601 18.6690 18.6690 k = 0.2054-0.0000 0.3004 ( 2056 PWs) bands (ev): -13.9571 -13.9571 -13.9567 -13.9567 -9.5835 -9.5835 -9.5826 -9.5826 -0.7843 -0.7843 -0.7822 -0.7822 1.7699 1.7699 1.7727 1.7727 3.0208 3.0208 3.0247 3.0247 4.2599 4.2599 4.2644 4.2644 5.3779 5.3779 5.3956 5.3956 6.2746 6.2746 6.2874 6.2874 16.2101 16.2101 16.2116 16.2116 18.6095 18.6095 18.6173 18.6173 k = 0.2143-0.0000 0.3004 ( 2060 PWs) bands (ev): -13.9440 -13.9440 -13.9437 -13.9437 -9.5717 -9.5717 -9.5707 -9.5707 -0.7696 -0.7696 -0.7674 -0.7674 1.7376 1.7376 1.7408 1.7408 2.9865 2.9865 2.9900 2.9900 4.2241 4.2241 4.2285 4.2285 5.3566 5.3566 5.3739 5.3739 6.2830 6.2830 6.2956 6.2956 16.2598 16.2598 16.2614 16.2614 18.5505 18.5505 18.5573 18.5573 k = 0.2232-0.0000 0.3004 ( 2056 PWs) bands (ev): -13.9307 -13.9307 -13.9304 -13.9304 -9.5597 -9.5597 -9.5587 -9.5587 -0.7547 -0.7547 -0.7524 -0.7524 1.7022 1.7022 1.7057 1.7057 2.9557 2.9557 2.9590 2.9590 4.1859 4.1859 4.1903 4.1903 5.3370 5.3370 5.3541 5.3541 6.2917 6.2917 6.3040 6.3040 16.3075 16.3075 16.3092 16.3092 18.4863 18.4863 18.4924 18.4924 k = 0.2321-0.0000 0.3004 ( 2060 PWs) bands (ev): -13.9173 -13.9173 -13.9169 -13.9169 -9.5475 -9.5475 -9.5465 -9.5465 -0.7398 -0.7398 -0.7374 -0.7374 1.6638 1.6638 1.6677 1.6677 2.9285 2.9285 2.9314 2.9314 4.1457 4.1457 4.1501 4.1501 5.3192 5.3192 5.3359 5.3359 6.3005 6.3005 6.3125 6.3125 16.3530 16.3530 16.3549 16.3549 18.4191 18.4191 18.4246 18.4246 k = 0.2411-0.0000 0.3004 ( 2072 PWs) bands (ev): -13.9037 -13.9037 -13.9033 -13.9033 -9.5351 -9.5351 -9.5341 -9.5341 -0.7249 -0.7249 -0.7223 -0.7223 1.6229 1.6229 1.6271 1.6271 2.9045 2.9045 2.9072 2.9072 4.1039 4.1039 4.1083 4.1083 5.3030 5.3030 5.3194 5.3194 6.3094 6.3094 6.3213 6.3213 16.3959 16.3959 16.3979 16.3979 18.3505 18.3505 18.3555 18.3555 k = 0.2500-0.0000 0.3004 ( 2076 PWs) bands (ev): -13.8900 -13.8900 -13.8896 -13.8896 -9.5227 -9.5227 -9.5217 -9.5217 -0.7099 -0.7099 -0.7073 -0.7073 1.5797 1.5797 1.5843 1.5843 2.8836 2.8836 2.8860 2.8860 4.0610 4.0610 4.0654 4.0654 5.2881 5.2881 5.3042 5.3042 6.3185 6.3185 6.3301 6.3301 16.4361 16.4361 16.4382 16.4382 18.2815 18.2815 18.2861 18.2861 k = 0.2589-0.0000 0.3004 ( 2080 PWs) bands (ev): -13.8762 -13.8762 -13.8758 -13.8758 -9.5103 -9.5103 -9.5092 -9.5092 -0.6951 -0.6951 -0.6923 -0.6923 1.5346 1.5346 1.5395 1.5395 2.8654 2.8654 2.8676 2.8676 4.0173 4.0173 4.0219 4.0219 5.2746 5.2746 5.2903 5.2903 6.3277 6.3277 6.3391 6.3391 16.4733 16.4733 16.4755 16.4755 18.2128 18.2128 18.2171 18.2171 k = 0.2679-0.0000 0.3004 ( 2084 PWs) bands (ev): -13.8624 -13.8624 -13.8620 -13.8620 -9.4978 -9.4978 -9.4967 -9.4967 -0.6804 -0.6804 -0.6775 -0.6775 1.4881 1.4881 1.4933 1.4933 2.8495 2.8495 2.8516 2.8516 3.9735 3.9735 3.9780 3.9780 5.2622 5.2622 5.2776 5.2776 6.3370 6.3370 6.3481 6.3481 16.5072 16.5072 16.5096 16.5096 18.1451 18.1451 18.1491 18.1491 k = 0.2768-0.0000 0.3004 ( 2084 PWs) bands (ev): -13.8486 -13.8486 -13.8482 -13.8482 -9.4853 -9.4853 -9.4843 -9.4843 -0.6660 -0.6660 -0.6629 -0.6629 1.4405 1.4405 1.4461 1.4461 2.8356 2.8356 2.8376 2.8376 3.9297 3.9297 3.9344 3.9344 5.2507 5.2507 5.2658 5.2658 6.3463 6.3463 6.3572 6.3572 16.5377 16.5377 16.5402 16.5402 18.0788 18.0788 18.0827 18.0827 k = 0.2857-0.0000 0.3004 ( 2076 PWs) bands (ev): -13.8349 -13.8349 -13.8345 -13.8345 -9.4729 -9.4729 -9.4719 -9.4719 -0.6517 -0.6517 -0.6486 -0.6486 1.3924 1.3924 1.3982 1.3982 2.8233 2.8233 2.8253 2.8253 3.8866 3.8866 3.8913 3.8913 5.2401 5.2401 5.2550 5.2550 6.3556 6.3556 6.3664 6.3664 16.5646 16.5646 16.5673 16.5673 18.0145 18.0145 18.0183 18.0183 k = 0.2946-0.0000 0.3004 ( 2070 PWs) bands (ev): -13.8213 -13.8213 -13.8209 -13.8209 -9.4606 -9.4606 -9.4596 -9.4596 -0.6379 -0.6379 -0.6346 -0.6346 1.3440 1.3440 1.3501 1.3501 2.8123 2.8123 2.8142 2.8142 3.8444 3.8444 3.8491 3.8491 5.2303 5.2303 5.2448 5.2448 6.3650 6.3650 6.3755 6.3755 16.5878 16.5878 16.5907 16.5907 17.9524 17.9524 17.9562 17.9562 k = 0.3036-0.0000 0.3004 ( 2070 PWs) bands (ev): -13.8078 -13.8078 -13.8074 -13.8074 -9.4485 -9.4485 -9.4475 -9.4475 -0.6245 -0.6245 -0.6211 -0.6211 1.2959 1.2959 1.3022 1.3022 2.8021 2.8021 2.8040 2.8040 3.8035 3.8035 3.8083 3.8083 5.2210 5.2210 5.2353 5.2353 6.3743 6.3743 6.3847 6.3847 16.6072 16.6072 16.6102 16.6102 17.8929 17.8929 17.8968 17.8968 k = 0.3125-0.0000 0.3004 ( 2074 PWs) bands (ev): -13.7946 -13.7946 -13.7942 -13.7942 -9.4365 -9.4365 -9.4355 -9.4355 -0.6116 -0.6116 -0.6081 -0.6081 1.2483 1.2483 1.2549 1.2549 2.7924 2.7924 2.7943 2.7943 3.7642 3.7642 3.7691 3.7691 5.2123 5.2123 5.2263 5.2263 6.3835 6.3835 6.3937 6.3937 16.6228 16.6228 16.6259 16.6259 17.8363 17.8363 17.8403 17.8403 k = 0.3214-0.0000 0.3004 ( 2074 PWs) bands (ev): -13.7816 -13.7816 -13.7812 -13.7812 -9.4248 -9.4248 -9.4238 -9.4238 -0.5993 -0.5993 -0.5956 -0.5956 1.2015 1.2015 1.2084 1.2084 2.7831 2.7831 2.7849 2.7849 3.7269 3.7269 3.7319 3.7319 5.2040 5.2040 5.2178 5.2178 6.3926 6.3926 6.4027 6.4027 16.6345 16.6345 16.6378 16.6378 17.7828 17.7828 17.7869 17.7869 k = 0.3304-0.0000 0.3004 ( 2082 PWs) bands (ev): -13.7690 -13.7690 -13.7686 -13.7686 -9.4133 -9.4133 -9.4123 -9.4123 -0.5875 -0.5875 -0.5837 -0.5837 1.1560 1.1560 1.1630 1.1630 2.7737 2.7737 2.7756 2.7756 3.6918 3.6918 3.6968 3.6968 5.1961 5.1961 5.2098 5.2098 6.4016 6.4016 6.4115 6.4115 16.6424 16.6424 16.6458 16.6458 17.7326 17.7326 17.7370 17.7370 k = 0.3393-0.0000 0.3004 ( 2082 PWs) bands (ev): -13.7566 -13.7566 -13.7563 -13.7563 -9.4021 -9.4021 -9.4012 -9.4012 -0.5764 -0.5764 -0.5725 -0.5725 1.1119 1.1119 1.1192 1.1192 2.7641 2.7641 2.7660 2.7660 3.6592 3.6592 3.6642 3.6642 5.1887 5.1887 5.2021 5.2021 6.4105 6.4105 6.4202 6.4202 16.6467 16.6467 16.6502 16.6502 17.6857 17.6857 17.6904 17.6904 k = 0.3482-0.0000 0.3004 ( 2080 PWs) bands (ev): -13.7447 -13.7447 -13.7443 -13.7443 -9.3913 -9.3913 -9.3904 -9.3904 -0.5660 -0.5660 -0.5619 -0.5619 1.0695 1.0695 1.0769 1.0769 2.7542 2.7542 2.7560 2.7560 3.6291 3.6291 3.6341 3.6341 5.1815 5.1815 5.1947 5.1947 6.4191 6.4191 6.4287 6.4287 16.6475 16.6475 16.6512 16.6512 17.6424 17.6424 17.6474 17.6474 k = 0.3571-0.0000 0.3004 ( 2080 PWs) bands (ev): -13.7331 -13.7331 -13.7328 -13.7328 -9.3809 -9.3809 -9.3800 -9.3800 -0.5563 -0.5563 -0.5521 -0.5521 1.0289 1.0289 1.0366 1.0366 2.7438 2.7438 2.7456 2.7456 3.6017 3.6017 3.6067 3.6067 5.1747 5.1747 5.1877 5.1877 6.4275 6.4275 6.4370 6.4370 16.6451 16.6451 16.6489 16.6489 17.6025 17.6025 17.6079 17.6079 k = 0.3661-0.0000 0.3004 ( 2086 PWs) bands (ev): -13.7221 -13.7221 -13.7217 -13.7217 -9.3709 -9.3709 -9.3700 -9.3700 -0.5474 -0.5474 -0.5431 -0.5431 0.9905 0.9905 0.9983 0.9983 2.7329 2.7329 2.7347 2.7347 3.5770 3.5770 3.5820 3.5820 5.1681 5.1681 5.1810 5.1810 6.4356 6.4356 6.4450 6.4450 16.6399 16.6399 16.6438 16.6438 17.5661 17.5661 17.5718 17.5718 k = 0.3750-0.0000 0.3004 ( 2086 PWs) bands (ev): -13.7115 -13.7115 -13.7112 -13.7112 -9.3613 -9.3613 -9.3605 -9.3605 -0.5392 -0.5392 -0.5349 -0.5349 0.9542 0.9542 0.9622 0.9622 2.7216 2.7216 2.7233 2.7233 3.5550 3.5550 3.5600 3.5600 5.1618 5.1618 5.1747 5.1747 6.4434 6.4434 6.4527 6.4527 16.6322 16.6322 16.6363 16.6363 17.5329 17.5329 17.5390 17.5390 k = 0.3839-0.0000 0.3004 ( 2090 PWs) bands (ev): -13.7015 -13.7015 -13.7012 -13.7012 -9.3523 -9.3523 -9.3514 -9.3514 -0.5319 -0.5319 -0.5274 -0.5274 0.9203 0.9203 0.9284 0.9284 2.7099 2.7099 2.7115 2.7115 3.5357 3.5357 3.5407 3.5407 5.1559 5.1559 5.1686 5.1686 6.4508 6.4508 6.4600 6.4600 16.6226 16.6226 16.6267 16.6267 17.5030 17.5030 17.5094 17.5094 k = 0.3929-0.0000 0.3004 ( 2094 PWs) bands (ev): -13.6921 -13.6921 -13.6918 -13.6918 -9.3437 -9.3437 -9.3429 -9.3429 -0.5253 -0.5253 -0.5207 -0.5207 0.8888 0.8888 0.8971 0.8971 2.6980 2.6980 2.6995 2.6995 3.5189 3.5189 3.5238 3.5238 5.1503 5.1503 5.1629 5.1629 6.4579 6.4579 6.4670 6.4670 16.6113 16.6113 16.6156 16.6156 17.4760 17.4760 17.4828 17.4828 k = 0.4018-0.0000 0.3004 ( 2098 PWs) bands (ev): -13.6833 -13.6833 -13.6829 -13.6829 -9.3357 -9.3357 -9.3350 -9.3350 -0.5195 -0.5195 -0.5149 -0.5149 0.8598 0.8598 0.8682 0.8682 2.6859 2.6859 2.6874 2.6874 3.5045 3.5045 3.5093 3.5093 5.1450 5.1450 5.1575 5.1575 6.4645 6.4645 6.4735 6.4735 16.5991 16.5991 16.6034 16.6034 17.4519 17.4519 17.4590 17.4590 k = 0.4107-0.0000 0.3004 ( 2094 PWs) bands (ev): -13.6751 -13.6751 -13.6748 -13.6748 -9.3283 -9.3283 -9.3276 -9.3276 -0.5144 -0.5144 -0.5097 -0.5097 0.8334 0.8334 0.8419 0.8419 2.6740 2.6740 2.6753 2.6753 3.4923 3.4923 3.4970 3.4970 5.1400 5.1400 5.1524 5.1524 6.4707 6.4707 6.4796 6.4796 16.5862 16.5862 16.5906 16.5906 17.4304 17.4304 17.4378 17.4378 k = 0.4196-0.0000 0.3004 ( 2090 PWs) bands (ev): -13.6676 -13.6676 -13.6673 -13.6673 -9.3215 -9.3215 -9.3208 -9.3208 -0.5100 -0.5100 -0.5052 -0.5052 0.8095 0.8095 0.8182 0.8182 2.6623 2.6623 2.6636 2.6636 3.4820 3.4820 3.4867 3.4867 5.1354 5.1354 5.1478 5.1478 6.4764 6.4764 6.4853 6.4853 16.5731 16.5731 16.5776 16.5776 17.4113 17.4113 17.4190 17.4190 k = 0.4286-0.0000 0.3004 ( 2086 PWs) bands (ev): -13.6608 -13.6608 -13.6605 -13.6605 -9.3154 -9.3154 -9.3147 -9.3147 -0.5063 -0.5063 -0.5015 -0.5015 0.7883 0.7883 0.7970 0.7970 2.6513 2.6513 2.6525 2.6525 3.4735 3.4735 3.4782 3.4782 5.1313 5.1313 5.1436 5.1436 6.4816 6.4816 6.4904 6.4904 16.5604 16.5604 16.5648 16.5648 17.3946 17.3946 17.4025 17.4025 k = 0.4375-0.0000 0.3004 ( 2090 PWs) bands (ev): -13.6547 -13.6547 -13.6544 -13.6544 -9.3099 -9.3099 -9.3093 -9.3093 -0.5032 -0.5032 -0.4983 -0.4983 0.7696 0.7696 0.7785 0.7785 2.6409 2.6409 2.6420 2.6420 3.4666 3.4666 3.4712 3.4712 5.1275 5.1275 5.1398 5.1398 6.4862 6.4862 6.4950 6.4950 16.5482 16.5482 16.5527 16.5527 17.3800 17.3800 17.3882 17.3882 k = 0.4464-0.0000 0.3004 ( 2088 PWs) bands (ev): -13.6494 -13.6494 -13.6491 -13.6491 -9.3051 -9.3051 -9.3045 -9.3045 -0.5006 -0.5006 -0.4957 -0.4957 0.7535 0.7535 0.7624 0.7624 2.6315 2.6315 2.6325 2.6325 3.4610 3.4610 3.4655 3.4655 5.1242 5.1242 5.1364 5.1364 6.4903 6.4903 6.4990 6.4990 16.5371 16.5371 16.5416 16.5416 17.3676 17.3676 17.3759 17.3759 k = 0.4554-0.0000 0.3004 ( 2084 PWs) bands (ev): -13.6449 -13.6449 -13.6446 -13.6446 -9.3010 -9.3010 -9.3004 -9.3004 -0.4986 -0.4986 -0.4936 -0.4936 0.7400 0.7400 0.7489 0.7489 2.6232 2.6232 2.6242 2.6242 3.4566 3.4566 3.4611 3.4611 5.1213 5.1213 5.1335 5.1335 6.4938 6.4938 6.5025 6.5025 16.5272 16.5272 16.5317 16.5317 17.3571 17.3571 17.3656 17.3656 k = 0.4643-0.0000 0.3004 ( 2080 PWs) bands (ev): -13.6411 -13.6411 -13.6409 -13.6409 -9.2977 -9.2977 -9.2971 -9.2971 -0.4970 -0.4970 -0.4920 -0.4920 0.7289 0.7289 0.7379 0.7379 2.6162 2.6162 2.6172 2.6172 3.4532 3.4532 3.4577 3.4577 5.1190 5.1190 5.1311 5.1311 6.4967 6.4967 6.5053 6.5053 16.5188 16.5188 16.5233 16.5233 17.3486 17.3486 17.3572 17.3572 k = 0.4732-0.0000 0.3004 ( 2076 PWs) bands (ev): -13.6382 -13.6382 -13.6380 -13.6380 -9.2950 -9.2950 -9.2945 -9.2945 -0.4958 -0.4958 -0.4908 -0.4908 0.7204 0.7204 0.7294 0.7294 2.6106 2.6106 2.6115 2.6115 3.4507 3.4507 3.4551 3.4551 5.1171 5.1171 5.1293 5.1293 6.4989 6.4989 6.5076 6.5076 16.5120 16.5120 16.5166 16.5166 17.3420 17.3420 17.3507 17.3507 k = 0.4821-0.0000 0.3004 ( 2072 PWs) bands (ev): -13.6361 -13.6361 -13.6359 -13.6359 -9.2931 -9.2931 -9.2926 -9.2926 -0.4949 -0.4949 -0.4900 -0.4900 0.7143 0.7143 0.7234 0.7234 2.6065 2.6065 2.6074 2.6074 3.4490 3.4490 3.4534 3.4534 5.1158 5.1158 5.1279 5.1279 6.5006 6.5006 6.5092 6.5092 16.5071 16.5071 16.5116 16.5116 17.3373 17.3373 17.3461 17.3461 k = 0.4911-0.0000 0.3004 ( 2072 PWs) bands (ev): -13.6349 -13.6349 -13.6346 -13.6346 -9.2920 -9.2920 -9.2915 -9.2915 -0.4945 -0.4945 -0.4895 -0.4895 0.7107 0.7107 0.7197 0.7197 2.6041 2.6041 2.6050 2.6050 3.4480 3.4480 3.4524 3.4524 5.1150 5.1150 5.1271 5.1271 6.5015 6.5015 6.5101 6.5101 16.5041 16.5041 16.5086 16.5086 17.3345 17.3345 17.3433 17.3433 k = 0.5000-0.0000 0.3004 ( 2068 PWs) bands (ev): -13.6344 -13.6344 -13.6342 -13.6342 -9.2916 -9.2916 -9.2911 -9.2911 -0.4943 -0.4943 -0.4893 -0.4893 0.7095 0.7095 0.7185 0.7185 2.6033 2.6033 2.6041 2.6041 3.4477 3.4477 3.4521 3.4521 5.1147 5.1147 5.1268 5.1268 6.5019 6.5019 6.5105 6.5105 16.5031 16.5031 16.5076 16.5076 17.3336 17.3336 17.3424 17.3424 k = 0.5000-0.0000 0.3004 ( 2068 PWs) bands (ev): -13.6344 -13.6344 -13.6342 -13.6342 -9.2916 -9.2916 -9.2911 -9.2911 -0.4943 -0.4943 -0.4893 -0.4893 0.7095 0.7095 0.7185 0.7185 2.6033 2.6033 2.6041 2.6041 3.4477 3.4477 3.4521 3.4521 5.1147 5.1147 5.1268 5.1268 6.5019 6.5019 6.5105 6.5105 16.5031 16.5031 16.5076 16.5076 17.3336 17.3336 17.3424 17.3424 k = 0.5000 0.0088 0.3004 ( 2068 PWs) bands (ev): -13.6343 -13.6343 -13.6341 -13.6341 -9.2918 -9.2918 -9.2912 -9.2912 -0.4951 -0.4951 -0.4902 -0.4902 0.7098 0.7098 0.7190 0.7190 2.6029 2.6029 2.6039 2.6039 3.4479 3.4479 3.4523 3.4523 5.1157 5.1157 5.1278 5.1278 6.5020 6.5020 6.5106 6.5106 16.5008 16.5008 16.5053 16.5053 17.3287 17.3287 17.3373 17.3373 k = 0.5000 0.0176 0.3004 ( 2072 PWs) bands (ev): -13.6340 -13.6340 -13.6338 -13.6338 -9.2922 -9.2922 -9.2917 -9.2917 -0.4976 -0.4976 -0.4926 -0.4926 0.7109 0.7109 0.7201 0.7201 2.6018 2.6018 2.6033 2.6033 3.4486 3.4486 3.4531 3.4531 5.1185 5.1185 5.1307 5.1307 6.5024 6.5024 6.5110 6.5110 16.4938 16.4938 16.4984 16.4984 17.3151 17.3151 17.3234 17.3234 k = 0.5000 0.0265 0.3004 ( 2072 PWs) bands (ev): -13.6335 -13.6335 -13.6333 -13.6333 -9.2930 -9.2930 -9.2924 -9.2924 -0.5017 -0.5017 -0.4966 -0.4966 0.7125 0.7125 0.7220 0.7220 2.6003 2.6003 2.6023 2.6023 3.4499 3.4499 3.4544 3.4544 5.1232 5.1232 5.1353 5.1353 6.5031 6.5031 6.5117 6.5117 16.4821 16.4821 16.4868 16.4868 17.2957 17.2957 17.3035 17.3035 k = 0.5000 0.0353 0.3004 ( 2076 PWs) bands (ev): -13.6328 -13.6328 -13.6326 -13.6326 -9.2940 -9.2940 -9.2935 -9.2935 -0.5072 -0.5072 -0.5020 -0.5020 0.7145 0.7145 0.7242 0.7242 2.5985 2.5985 2.6011 2.6011 3.4518 3.4518 3.4563 3.4563 5.1295 5.1295 5.1416 5.1416 6.5041 6.5041 6.5127 6.5127 16.4658 16.4658 16.4706 16.4706 17.2740 17.2740 17.2811 17.2811 k = 0.5000 0.0441 0.3004 ( 2072 PWs) bands (ev): -13.6319 -13.6319 -13.6317 -13.6317 -9.2953 -9.2953 -9.2948 -9.2948 -0.5139 -0.5139 -0.5087 -0.5087 0.7166 0.7166 0.7266 0.7266 2.5967 2.5967 2.5997 2.5997 3.4543 3.4543 3.4589 3.4589 5.1372 5.1372 5.1493 5.1493 6.5053 6.5053 6.5141 6.5141 16.4449 16.4449 16.4498 16.4498 17.2528 17.2528 17.2593 17.2593 k = 0.5000 0.0529 0.3004 ( 2068 PWs) bands (ev): -13.6309 -13.6309 -13.6306 -13.6306 -9.2970 -9.2970 -9.2964 -9.2964 -0.5217 -0.5217 -0.5164 -0.5164 0.7185 0.7185 0.7287 0.7287 2.5950 2.5950 2.5986 2.5986 3.4576 3.4576 3.4622 3.4622 5.1460 5.1460 5.1582 5.1582 6.5069 6.5069 6.5157 6.5157 16.4197 16.4197 16.4248 16.4248 17.2344 17.2344 17.2403 17.2403 k = 0.5000 0.0618 0.3004 ( 2060 PWs) bands (ev): -13.6296 -13.6296 -13.6294 -13.6294 -9.2988 -9.2988 -9.2983 -9.2983 -0.5304 -0.5304 -0.5250 -0.5250 0.7197 0.7197 0.7303 0.7303 2.5938 2.5938 2.5978 2.5978 3.4618 3.4618 3.4664 3.4664 5.1558 5.1558 5.1679 5.1679 6.5088 6.5088 6.5177 6.5177 16.3909 16.3909 16.3961 16.3961 17.2201 17.2201 17.2254 17.2254 k = 0.5000 0.0706 0.3004 ( 2060 PWs) bands (ev): -13.6282 -13.6282 -13.6279 -13.6279 -9.3010 -9.3010 -9.3004 -9.3004 -0.5398 -0.5398 -0.5343 -0.5343 0.7200 0.7200 0.7308 0.7308 2.5934 2.5934 2.5979 2.5979 3.4669 3.4669 3.4716 3.4716 5.1660 5.1660 5.1781 5.1781 6.5110 6.5110 6.5200 6.5200 16.3590 16.3590 16.3643 16.3643 17.2105 17.2105 17.2153 17.2153 k = 0.5000 0.0794 0.3004 ( 2060 PWs) bands (ev): -13.6266 -13.6266 -13.6264 -13.6264 -9.3033 -9.3033 -9.3028 -9.3028 -0.5496 -0.5496 -0.5440 -0.5440 0.7188 0.7188 0.7299 0.7299 2.5940 2.5940 2.5990 2.5990 3.4730 3.4730 3.4779 3.4779 5.1764 5.1764 5.1885 5.1885 6.5136 6.5136 6.5226 6.5226 16.3250 16.3250 16.3304 16.3304 17.2059 17.2059 17.2101 17.2101 k = 0.5000 0.0882 0.3004 ( 2064 PWs) bands (ev): -13.6249 -13.6249 -13.6246 -13.6246 -9.3059 -9.3059 -9.3054 -9.3054 -0.5596 -0.5596 -0.5539 -0.5539 0.7159 0.7159 0.7273 0.7273 2.5960 2.5960 2.6014 2.6014 3.4803 3.4803 3.4853 3.4853 5.1867 5.1867 5.1988 5.1988 6.5164 6.5164 6.5255 6.5255 16.2897 16.2897 16.2952 16.2952 17.2059 17.2059 17.2097 17.2097 k = 0.5000 0.0971 0.3004 ( 2056 PWs) bands (ev): -13.6230 -13.6230 -13.6227 -13.6227 -9.3087 -9.3087 -9.3082 -9.3082 -0.5695 -0.5695 -0.5638 -0.5638 0.7110 0.7110 0.7225 0.7225 2.5997 2.5997 2.6054 2.6054 3.4889 3.4889 3.4940 3.4940 5.1965 5.1965 5.2086 5.2086 6.5196 6.5196 6.5288 6.5288 16.2541 16.2541 16.2598 16.2598 17.2103 17.2103 17.2138 17.2138 k = 0.5000 0.1059 0.3004 ( 2060 PWs) bands (ev): -13.6210 -13.6210 -13.6207 -13.6207 -9.3118 -9.3118 -9.3112 -9.3112 -0.5792 -0.5792 -0.5734 -0.5734 0.7036 0.7036 0.7153 0.7153 2.6052 2.6052 2.6111 2.6111 3.4988 3.4988 3.5040 3.5040 5.2056 5.2056 5.2177 5.2177 6.5231 6.5231 6.5323 6.5323 16.2191 16.2191 16.2248 16.2248 17.2185 17.2185 17.2217 17.2217 k = 0.5000 0.1147 0.3004 ( 2064 PWs) bands (ev): -13.6189 -13.6189 -13.6186 -13.6186 -9.3149 -9.3149 -9.3144 -9.3144 -0.5885 -0.5885 -0.5826 -0.5826 0.6937 0.6937 0.7055 0.7055 2.6126 2.6126 2.6188 2.6188 3.5101 3.5101 3.5154 3.5154 5.2136 5.2136 5.2257 5.2257 6.5268 6.5268 6.5361 6.5361 16.1853 16.1853 16.1911 16.1911 17.2301 17.2301 17.2331 17.2331 k = 0.5000 0.1235 0.3004 ( 2072 PWs) bands (ev): -13.6167 -13.6167 -13.6165 -13.6165 -9.3183 -9.3183 -9.3177 -9.3177 -0.5971 -0.5971 -0.5913 -0.5913 0.6811 0.6811 0.6929 0.6929 2.6221 2.6221 2.6285 2.6285 3.5228 3.5228 3.5284 3.5284 5.2203 5.2203 5.2325 5.2325 6.5307 6.5307 6.5400 6.5400 16.1535 16.1535 16.1593 16.1593 17.2446 17.2446 17.2473 17.2473 k = 0.5000 0.1324 0.3004 ( 2080 PWs) bands (ev): -13.6144 -13.6144 -13.6142 -13.6142 -9.3218 -9.3218 -9.3212 -9.3212 -0.6051 -0.6051 -0.5992 -0.5992 0.6657 0.6657 0.6775 0.6775 2.6336 2.6336 2.6401 2.6401 3.5371 3.5371 3.5429 3.5429 5.2256 5.2256 5.2377 5.2377 6.5348 6.5348 6.5442 6.5442 16.1242 16.1242 16.1300 16.1300 17.2614 17.2614 17.2640 17.2640 k = 0.5000 0.1412 0.3004 ( 2080 PWs) bands (ev): -13.6120 -13.6120 -13.6118 -13.6118 -9.3253 -9.3253 -9.3247 -9.3247 -0.6121 -0.6121 -0.6061 -0.6061 0.6476 0.6476 0.6593 0.6593 2.6470 2.6470 2.6537 2.6537 3.5530 3.5530 3.5590 3.5590 5.2292 5.2292 5.2413 5.2413 6.5390 6.5390 6.5484 6.5484 16.0977 16.0977 16.1036 16.1036 17.2802 17.2802 17.2826 17.2826 k = 0.5000 0.1500 0.3004 ( 2072 PWs) bands (ev): -13.6096 -13.6096 -13.6094 -13.6094 -9.3290 -9.3290 -9.3284 -9.3284 -0.6180 -0.6180 -0.6121 -0.6121 0.6268 0.6268 0.6384 0.6384 2.6622 2.6622 2.6690 2.6690 3.5706 3.5706 3.5768 3.5768 5.2311 5.2311 5.2432 5.2432 6.5433 6.5433 6.5527 6.5527 16.0746 16.0746 16.0805 16.0805 17.3003 17.3003 17.3027 17.3027 k = 0.5000 0.1588 0.3004 ( 2072 PWs) bands (ev): -13.6071 -13.6071 -13.6069 -13.6069 -9.3327 -9.3327 -9.3321 -9.3321 -0.6229 -0.6229 -0.6169 -0.6169 0.6035 0.6035 0.6149 0.6149 2.6789 2.6789 2.6858 2.6858 3.5898 3.5898 3.5963 3.5963 5.2310 5.2310 5.2431 5.2431 6.5475 6.5475 6.5569 6.5569 16.0550 16.0550 16.0609 16.0609 17.3214 17.3214 17.3237 17.3237 k = 0.5000 0.1677 0.3004 ( 2080 PWs) bands (ev): -13.6047 -13.6047 -13.6044 -13.6044 -9.3365 -9.3365 -9.3358 -9.3358 -0.6266 -0.6266 -0.6206 -0.6206 0.5778 0.5778 0.5891 0.5891 2.6969 2.6969 2.7038 2.7038 3.6108 3.6108 3.6175 3.6175 5.2290 5.2290 5.2411 5.2411 6.5515 6.5515 6.5610 6.5610 16.0391 16.0391 16.0450 16.0450 17.3431 17.3431 17.3453 17.3453 k = 0.5000 0.1765 0.3004 ( 2080 PWs) bands (ev): -13.6022 -13.6022 -13.6020 -13.6020 -9.3402 -9.3402 -9.3396 -9.3396 -0.6290 -0.6290 -0.6230 -0.6230 0.5501 0.5501 0.5611 0.5611 2.7159 2.7159 2.7228 2.7228 3.6334 3.6334 3.6404 3.6404 5.2251 5.2251 5.2372 5.2372 6.5554 6.5554 6.5649 6.5649 16.0270 16.0270 16.0329 16.0329 17.3648 17.3648 17.3670 17.3670 k = 0.5000 0.1853 0.3004 ( 2080 PWs) bands (ev): -13.5997 -13.5997 -13.5995 -13.5995 -9.3440 -9.3440 -9.3433 -9.3433 -0.6301 -0.6301 -0.6241 -0.6241 0.5206 0.5206 0.5314 0.5314 2.7355 2.7355 2.7424 2.7424 3.6577 3.6577 3.6649 3.6649 5.2192 5.2192 5.2313 5.2313 6.5591 6.5591 6.5686 6.5686 16.0188 16.0188 16.0247 16.0247 17.3860 17.3860 17.3883 17.3883 k = 0.5000 0.1941 0.3004 ( 2080 PWs) bands (ev): -13.5972 -13.5972 -13.5970 -13.5970 -9.3477 -9.3477 -9.3470 -9.3470 -0.6299 -0.6299 -0.6240 -0.6240 0.4897 0.4897 0.5001 0.5001 2.7554 2.7554 2.7624 2.7624 3.6836 3.6836 3.6910 3.6910 5.2115 5.2115 5.2235 5.2235 6.5624 6.5624 6.5719 6.5719 16.0143 16.0143 16.0203 16.0203 17.4065 17.4065 17.4087 17.4087 k = 0.5000 0.2030 0.3004 ( 2076 PWs) bands (ev): -13.5948 -13.5948 -13.5946 -13.5946 -9.3513 -9.3513 -9.3507 -9.3507 -0.6284 -0.6284 -0.6225 -0.6225 0.4576 0.4576 0.4677 0.4677 2.7753 2.7753 2.7824 2.7824 3.7109 3.7109 3.7186 3.7186 5.2019 5.2019 5.2139 5.2139 6.5654 6.5654 6.5749 6.5749 16.0136 16.0136 16.0195 16.0195 17.4256 17.4256 17.4280 17.4280 k = 0.5000 0.2118 0.3004 ( 2072 PWs) bands (ev): -13.5925 -13.5925 -13.5923 -13.5923 -9.3549 -9.3549 -9.3542 -9.3542 -0.6256 -0.6256 -0.6197 -0.6197 0.4247 0.4247 0.4344 0.4344 2.7950 2.7950 2.8021 2.8021 3.7395 3.7395 3.7475 3.7475 5.1907 5.1907 5.2027 5.2027 6.5680 6.5680 6.5775 6.5775 16.0164 16.0164 16.0223 16.0223 17.4431 17.4431 17.4455 17.4455 k = 0.5000 0.2206 0.3004 ( 2084 PWs) bands (ev): -13.5903 -13.5903 -13.5901 -13.5901 -9.3583 -9.3583 -9.3576 -9.3576 -0.6215 -0.6215 -0.6157 -0.6157 0.3913 0.3913 0.4007 0.4007 2.8140 2.8140 2.8212 2.8212 3.7693 3.7693 3.7775 3.7775 5.1779 5.1779 5.1898 5.1898 6.5702 6.5702 6.5796 6.5796 16.0224 16.0224 16.0284 16.0284 17.4585 17.4585 17.4610 17.4610 k = 0.5000 0.2294 0.3004 ( 2088 PWs) bands (ev): -13.5881 -13.5881 -13.5879 -13.5879 -9.3616 -9.3616 -9.3609 -9.3609 -0.6163 -0.6163 -0.6106 -0.6106 0.3579 0.3579 0.3668 0.3668 2.8323 2.8323 2.8395 2.8395 3.7999 3.7999 3.8082 3.8082 5.1637 5.1637 5.1757 5.1757 6.5720 6.5720 6.5814 6.5814 16.0315 16.0315 16.0374 16.0374 17.4715 17.4715 17.4741 17.4741 k = 0.5000 0.2383 0.3004 ( 2088 PWs) bands (ev): -13.5861 -13.5861 -13.5859 -13.5859 -9.3647 -9.3647 -9.3640 -9.3640 -0.6101 -0.6101 -0.6045 -0.6045 0.3247 0.3247 0.3333 0.3333 2.8496 2.8496 2.8568 2.8568 3.8310 3.8310 3.8395 3.8395 5.1485 5.1485 5.1604 5.1604 6.5734 6.5734 6.5828 6.5828 16.0431 16.0431 16.0491 16.0491 17.4820 17.4820 17.4846 17.4846 k = 0.5000 0.2471 0.3004 ( 2088 PWs) bands (ev): -13.5841 -13.5841 -13.5839 -13.5839 -9.3677 -9.3677 -9.3670 -9.3670 -0.6029 -0.6029 -0.5974 -0.5974 0.2923 0.2923 0.3003 0.3003 2.8657 2.8657 2.8730 2.8730 3.8623 3.8623 3.8710 3.8710 5.1324 5.1324 5.1443 5.1443 6.5744 6.5744 6.5838 6.5838 16.0569 16.0569 16.0628 16.0628 17.4898 17.4898 17.4924 17.4924 k = 0.5000 0.2559 0.3004 ( 2080 PWs) bands (ev): -13.5823 -13.5823 -13.5821 -13.5821 -9.3704 -9.3704 -9.3697 -9.3697 -0.5949 -0.5949 -0.5896 -0.5896 0.2609 0.2609 0.2684 0.2684 2.8806 2.8806 2.8879 2.8879 3.8933 3.8933 3.9021 3.9021 5.1157 5.1157 5.1276 5.1276 6.5751 6.5751 6.5845 6.5845 16.0723 16.0723 16.0782 16.0782 17.4949 17.4949 17.4976 17.4976 k = 0.5000 0.2647 0.3004 ( 2076 PWs) bands (ev): -13.5807 -13.5807 -13.5805 -13.5805 -9.3729 -9.3729 -9.3722 -9.3722 -0.5864 -0.5864 -0.5814 -0.5814 0.2310 0.2310 0.2380 0.2380 2.8940 2.8940 2.9013 2.9013 3.9235 3.9235 3.9324 3.9324 5.0988 5.0988 5.1107 5.1107 6.5755 6.5755 6.5849 6.5849 16.0887 16.0887 16.0947 16.0947 17.4975 17.4975 17.5002 17.5002 k = 0.5000 0.2735 0.3004 ( 2080 PWs) bands (ev): -13.5792 -13.5792 -13.5790 -13.5790 -9.3751 -9.3751 -9.3744 -9.3744 -0.5776 -0.5776 -0.5728 -0.5728 0.2030 0.2030 0.2094 0.2094 2.9060 2.9060 2.9134 2.9134 3.9524 3.9524 3.9613 3.9613 5.0822 5.0822 5.0940 5.0940 6.5757 6.5757 6.5850 6.5850 16.1056 16.1056 16.1116 16.1116 17.4978 17.4978 17.5006 17.5006 k = 0.5000 0.2824 0.3004 ( 2080 PWs) bands (ev): -13.5779 -13.5779 -13.5777 -13.5777 -9.3771 -9.3771 -9.3764 -9.3764 -0.5689 -0.5689 -0.5644 -0.5644 0.1775 0.1775 0.1832 0.1832 2.9164 2.9164 2.9238 2.9238 3.9793 3.9793 3.9882 3.9882 5.0662 5.0662 5.0780 5.0780 6.5757 6.5757 6.5850 6.5850 16.1223 16.1223 16.1283 16.1283 17.4964 17.4964 17.4991 17.4991 k = 0.5000 0.2912 0.3004 ( 2088 PWs) bands (ev): -13.5768 -13.5768 -13.5766 -13.5766 -9.3788 -9.3788 -9.3781 -9.3781 -0.5605 -0.5605 -0.5564 -0.5564 0.1547 0.1547 0.1598 0.1598 2.9253 2.9253 2.9327 2.9327 4.0036 4.0036 4.0126 4.0126 5.0514 5.0514 5.0632 5.0632 6.5756 6.5756 6.5849 6.5849 16.1379 16.1379 16.1439 16.1439 17.4937 17.4937 17.4964 17.4964 k = 0.5000 0.3000 0.3004 ( 2088 PWs) bands (ev): -13.5759 -13.5759 -13.5757 -13.5757 -9.3802 -9.3802 -9.3795 -9.3795 -0.5529 -0.5529 -0.5492 -0.5492 0.1354 0.1354 0.1396 0.1396 2.9326 2.9326 2.9400 2.9400 4.0247 4.0247 4.0337 4.0337 5.0383 5.0383 5.0501 5.0501 6.5754 6.5754 6.5847 6.5847 16.1520 16.1520 16.1580 16.1580 17.4903 17.4903 17.4929 17.4929 k = 0.5000 0.3088 0.3004 ( 2096 PWs) bands (ev): -13.5752 -13.5752 -13.5750 -13.5750 -9.3813 -9.3813 -9.3806 -9.3806 -0.5464 -0.5464 -0.5431 -0.5431 0.1198 0.1198 0.1232 0.1232 2.9383 2.9383 2.9457 2.9457 4.0419 4.0419 4.0509 4.0509 5.0274 5.0274 5.0392 5.0392 6.5752 6.5752 6.5845 6.5845 16.1637 16.1637 16.1697 16.1697 17.4869 17.4869 17.4895 17.4895 k = 0.5000 0.3177 0.3004 ( 2100 PWs) bands (ev): -13.5747 -13.5747 -13.5745 -13.5745 -9.3821 -9.3821 -9.3814 -9.3814 -0.5414 -0.5414 -0.5385 -0.5385 0.1085 0.1085 0.1110 0.1110 2.9423 2.9423 2.9498 2.9498 4.0546 4.0546 4.0637 4.0637 5.0192 5.0192 5.0310 5.0310 6.5750 6.5750 6.5843 6.5843 16.1725 16.1725 16.1786 16.1786 17.4839 17.4839 17.4865 17.4865 k = 0.5000 0.3265 0.3004 ( 2096 PWs) bands (ev): -13.5743 -13.5743 -13.5741 -13.5741 -9.3826 -9.3826 -9.3819 -9.3819 -0.5382 -0.5382 -0.5356 -0.5356 0.1016 0.1016 0.1035 0.1035 2.9448 2.9448 2.9522 2.9522 4.0625 4.0625 4.0716 4.0716 5.0141 5.0141 5.0259 5.0259 6.5749 6.5749 6.5842 6.5842 16.1780 16.1780 16.1841 16.1841 17.4820 17.4820 17.4845 17.4845 k = 0.5000 0.3353 0.3004 ( 2096 PWs) bands (ev): -13.5742 -13.5742 -13.5740 -13.5740 -9.3828 -9.3828 -9.3820 -9.3820 -0.5371 -0.5371 -0.5346 -0.5346 0.0994 0.0994 0.1009 0.1009 2.9456 2.9456 2.9530 2.9530 4.0652 4.0652 4.0742 4.0742 5.0124 5.0124 5.0241 5.0241 6.5749 6.5749 6.5841 6.5841 16.1799 16.1799 16.1859 16.1859 17.4813 17.4813 17.4838 17.4838 k = 0.5000 0.3353 0.3004 ( 2096 PWs) bands (ev): -13.5742 -13.5742 -13.5740 -13.5740 -9.3828 -9.3828 -9.3820 -9.3820 -0.5371 -0.5371 -0.5346 -0.5346 0.0994 0.0994 0.1009 0.1009 2.9456 2.9456 2.9530 2.9530 4.0652 4.0652 4.0742 4.0742 5.0124 5.0124 5.0241 5.0241 6.5749 6.5749 6.5841 6.5841 16.1799 16.1799 16.1859 16.1859 17.4813 17.4813 17.4838 17.4838 k = 0.4911 0.3353 0.3004 ( 2096 PWs) bands (ev): -13.5746 -13.5746 -13.5744 -13.5744 -9.3834 -9.3834 -9.3826 -9.3826 -0.5374 -0.5374 -0.5349 -0.5349 0.1014 0.1014 0.1030 0.1030 2.9466 2.9466 2.9540 2.9540 4.0649 4.0649 4.0740 4.0740 5.0123 5.0123 5.0241 5.0241 6.5747 6.5747 6.5839 6.5839 16.1809 16.1809 16.1870 16.1870 17.4827 17.4827 17.4852 17.4852 k = 0.4821 0.3353 0.3004 ( 2088 PWs) bands (ev): -13.5756 -13.5756 -13.5754 -13.5754 -9.3852 -9.3852 -9.3845 -9.3845 -0.5384 -0.5384 -0.5358 -0.5358 0.1075 0.1075 0.1092 0.1092 2.9496 2.9496 2.9570 2.9570 4.0642 4.0642 4.0733 4.0733 5.0123 5.0123 5.0241 5.0241 6.5740 6.5740 6.5833 6.5833 16.1840 16.1840 16.1901 16.1901 17.4868 17.4868 17.4893 17.4893 k = 0.4732 0.3353 0.3004 ( 2084 PWs) bands (ev): -13.5773 -13.5773 -13.5771 -13.5771 -9.3883 -9.3883 -9.3875 -9.3875 -0.5399 -0.5399 -0.5371 -0.5371 0.1176 0.1176 0.1195 0.1195 2.9545 2.9545 2.9619 2.9619 4.0630 4.0630 4.0721 4.0721 5.0122 5.0122 5.0240 5.0240 6.5730 6.5730 6.5822 6.5822 16.1891 16.1891 16.1952 16.1952 17.4937 17.4937 17.4962 17.4962 k = 0.4643 0.3353 0.3004 ( 2080 PWs) bands (ev): -13.5797 -13.5797 -13.5795 -13.5795 -9.3925 -9.3925 -9.3917 -9.3917 -0.5419 -0.5419 -0.5389 -0.5389 0.1316 0.1316 0.1336 0.1336 2.9615 2.9615 2.9689 2.9689 4.0614 4.0614 4.0705 4.0705 5.0121 5.0121 5.0239 5.0239 6.5715 6.5715 6.5807 6.5807 16.1962 16.1962 16.2022 16.2022 17.5032 17.5032 17.5057 17.5057 k = 0.4554 0.3353 0.3004 ( 2080 PWs) bands (ev): -13.5828 -13.5828 -13.5826 -13.5826 -9.3979 -9.3979 -9.3971 -9.3971 -0.5442 -0.5442 -0.5411 -0.5411 0.1493 0.1493 0.1515 0.1515 2.9704 2.9704 2.9777 2.9777 4.0594 4.0594 4.0685 4.0685 5.0119 5.0119 5.0238 5.0238 6.5695 6.5695 6.5788 6.5788 16.2052 16.2052 16.2113 16.2113 17.5154 17.5154 17.5178 17.5178 k = 0.4464 0.3353 0.3004 ( 2076 PWs) bands (ev): -13.5866 -13.5866 -13.5864 -13.5864 -9.4045 -9.4045 -9.4037 -9.4037 -0.5468 -0.5468 -0.5435 -0.5435 0.1706 0.1706 0.1730 0.1730 2.9813 2.9813 2.9886 2.9886 4.0570 4.0570 4.0662 4.0662 5.0117 5.0117 5.0236 5.0236 6.5672 6.5672 6.5764 6.5764 16.2161 16.2161 16.2222 16.2222 17.5300 17.5300 17.5324 17.5324 k = 0.4375 0.3353 0.3004 ( 2072 PWs) bands (ev): -13.5910 -13.5910 -13.5907 -13.5907 -9.4122 -9.4122 -9.4114 -9.4114 -0.5496 -0.5496 -0.5460 -0.5460 0.1952 0.1952 0.1977 0.1977 2.9941 2.9941 3.0013 3.0013 4.0544 4.0544 4.0637 4.0637 5.0115 5.0115 5.0235 5.0235 6.5644 6.5644 6.5736 6.5736 16.2288 16.2288 16.2349 16.2349 17.5470 17.5470 17.5495 17.5495 k = 0.4286 0.3353 0.3004 ( 2080 PWs) bands (ev): -13.5961 -13.5961 -13.5958 -13.5958 -9.4210 -9.4210 -9.4202 -9.4202 -0.5524 -0.5524 -0.5487 -0.5487 0.2229 0.2229 0.2256 0.2256 3.0088 3.0088 3.0159 3.0159 4.0517 4.0517 4.0610 4.0610 5.0112 5.0112 5.0233 5.0233 6.5612 6.5612 6.5704 6.5704 16.2432 16.2432 16.2493 16.2493 17.5663 17.5663 17.5687 17.5687 k = 0.4196 0.3353 0.3004 ( 2072 PWs) bands (ev): -13.6017 -13.6017 -13.6014 -13.6014 -9.4308 -9.4308 -9.4300 -9.4300 -0.5551 -0.5551 -0.5513 -0.5513 0.2536 0.2536 0.2564 0.2564 3.0254 3.0254 3.0325 3.0325 4.0489 4.0489 4.0583 4.0583 5.0109 5.0109 5.0231 5.0231 6.5575 6.5575 6.5668 6.5668 16.2592 16.2592 16.2653 16.2653 17.5877 17.5877 17.5900 17.5900 k = 0.4107 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.6079 -13.6079 -13.6076 -13.6076 -9.4417 -9.4417 -9.4408 -9.4408 -0.5577 -0.5577 -0.5538 -0.5538 0.2869 0.2869 0.2898 0.2898 3.0438 3.0438 3.0508 3.0508 4.0462 4.0462 4.0556 4.0556 5.0107 5.0107 5.0229 5.0229 6.5534 6.5534 6.5627 6.5627 16.2767 16.2767 16.2828 16.2828 17.6109 17.6109 17.6132 17.6132 k = 0.4018 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.6148 -13.6148 -13.6145 -13.6145 -9.4535 -9.4535 -9.4526 -9.4526 -0.5602 -0.5602 -0.5561 -0.5561 0.3227 0.3227 0.3257 0.3257 3.0641 3.0641 3.0710 3.0710 4.0437 4.0437 4.0531 4.0531 5.0104 5.0104 5.0227 5.0227 6.5489 6.5489 6.5582 6.5582 16.2956 16.2956 16.3017 16.3017 17.6357 17.6357 17.6380 17.6380 k = 0.3929 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.6221 -13.6221 -13.6218 -13.6218 -9.4662 -9.4662 -9.4653 -9.4653 -0.5624 -0.5624 -0.5583 -0.5583 0.3608 0.3608 0.3639 0.3639 3.0860 3.0860 3.0929 3.0929 4.0415 4.0415 4.0510 4.0510 5.0101 5.0101 5.0226 5.0226 6.5439 6.5439 6.5532 6.5532 16.3156 16.3156 16.3217 16.3217 17.6619 17.6619 17.6642 17.6642 k = 0.3839 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.6300 -13.6300 -13.6297 -13.6297 -9.4798 -9.4798 -9.4789 -9.4789 -0.5644 -0.5644 -0.5602 -0.5602 0.4010 0.4010 0.4041 0.4041 3.1097 3.1097 3.1164 3.1164 4.0397 4.0397 4.0493 4.0493 5.0100 5.0100 5.0225 5.0225 6.5385 6.5385 6.5478 6.5478 16.3367 16.3367 16.3428 16.3428 17.6892 17.6892 17.6914 17.6914 k = 0.3750 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.6384 -13.6384 -13.6381 -13.6381 -9.4942 -9.4942 -9.4933 -9.4933 -0.5662 -0.5662 -0.5619 -0.5619 0.4430 0.4430 0.4461 0.4461 3.1349 3.1349 3.1415 3.1415 4.0387 4.0387 4.0483 4.0483 5.0099 5.0099 5.0225 5.0225 6.5327 6.5327 6.5420 6.5420 16.3586 16.3586 16.3647 16.3647 17.7172 17.7172 17.7193 17.7193 k = 0.3661 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.6472 -13.6472 -13.6468 -13.6468 -9.5094 -9.5094 -9.5084 -9.5084 -0.5677 -0.5677 -0.5634 -0.5634 0.4866 0.4866 0.4898 0.4898 3.1617 3.1617 3.1682 3.1682 4.0384 4.0384 4.0480 4.0480 5.0099 5.0099 5.0227 5.0227 6.5264 6.5264 6.5357 6.5357 16.3811 16.3811 16.3872 16.3872 17.7454 17.7454 17.7475 17.7475 k = 0.3571 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.6565 -13.6565 -13.6561 -13.6561 -9.5252 -9.5252 -9.5242 -9.5242 -0.5690 -0.5690 -0.5647 -0.5647 0.5317 0.5317 0.5349 0.5349 3.1899 3.1899 3.1961 3.1961 4.0391 4.0391 4.0487 4.0487 5.0101 5.0101 5.0230 5.0230 6.5197 6.5197 6.5291 6.5291 16.4041 16.4041 16.4102 16.4102 17.7734 17.7734 17.7755 17.7755 k = 0.3482 0.3353 0.3004 ( 2056 PWs) bands (ev): -13.6661 -13.6661 -13.6657 -13.6657 -9.5417 -9.5417 -9.5407 -9.5407 -0.5701 -0.5701 -0.5658 -0.5658 0.5780 0.5780 0.5812 0.5812 3.2193 3.2193 3.2254 3.2254 4.0409 4.0409 4.0505 4.0505 5.0105 5.0105 5.0236 5.0236 6.5126 6.5126 6.5220 6.5220 16.4272 16.4272 16.4333 16.4333 17.8008 17.8008 17.8028 17.8028 k = 0.3393 0.3353 0.3004 ( 2056 PWs) bands (ev): -13.6761 -13.6761 -13.6757 -13.6757 -9.5587 -9.5587 -9.5577 -9.5577 -0.5710 -0.5710 -0.5667 -0.5667 0.6254 0.6254 0.6286 0.6286 3.2498 3.2498 3.2557 3.2557 4.0441 4.0441 4.0537 4.0537 5.0111 5.0111 5.0244 5.0244 6.5051 6.5051 6.5144 6.5144 16.4503 16.4503 16.4564 16.4564 17.8269 17.8269 17.8289 17.8289 k = 0.3304 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.6865 -13.6865 -13.6861 -13.6861 -9.5762 -9.5762 -9.5752 -9.5752 -0.5717 -0.5717 -0.5675 -0.5675 0.6736 0.6736 0.6767 0.6767 3.2814 3.2814 3.2870 3.2870 4.0488 4.0488 4.0583 4.0583 5.0122 5.0122 5.0256 5.0256 6.4971 6.4971 6.5065 6.5065 16.4731 16.4731 16.4791 16.4791 17.8512 17.8512 17.8530 17.8530 k = 0.3214 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.6971 -13.6971 -13.6967 -13.6967 -9.5942 -9.5942 -9.5931 -9.5931 -0.5723 -0.5723 -0.5681 -0.5681 0.7224 0.7224 0.7255 0.7255 3.3137 3.3137 3.3191 3.3191 4.0551 4.0551 4.0646 4.0646 5.0136 5.0136 5.0272 5.0272 6.4887 6.4887 6.4982 6.4982 16.4952 16.4952 16.5012 16.5012 17.8729 17.8729 17.8747 17.8747 k = 0.3125 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.7080 -13.7080 -13.7076 -13.7076 -9.6125 -9.6125 -9.6115 -9.6115 -0.5728 -0.5728 -0.5687 -0.5687 0.7716 0.7716 0.7747 0.7747 3.3467 3.3467 3.3518 3.3518 4.0633 4.0633 4.0727 4.0727 5.0156 5.0156 5.0294 5.0294 6.4799 6.4799 6.4894 6.4894 16.5165 16.5165 16.5225 16.5225 17.8914 17.8914 17.8931 17.8931 k = 0.3036 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.7191 -13.7191 -13.7187 -13.7187 -9.6311 -9.6311 -9.6301 -9.6301 -0.5733 -0.5733 -0.5692 -0.5692 0.8209 0.8209 0.8240 0.8240 3.3801 3.3801 3.3850 3.3850 4.0735 4.0735 4.0828 4.0828 5.0182 5.0182 5.0323 5.0323 6.4707 6.4707 6.4803 6.4803 16.5366 16.5366 16.5425 16.5425 17.9060 17.9060 17.9077 17.9077 k = 0.2946 0.3353 0.3004 ( 2056 PWs) bands (ev): -13.7304 -13.7304 -13.7300 -13.7300 -9.6500 -9.6500 -9.6490 -9.6490 -0.5737 -0.5737 -0.5697 -0.5697 0.8703 0.8703 0.8734 0.8734 3.4138 3.4138 3.4185 3.4185 4.0858 4.0858 4.0949 4.0949 5.0216 5.0216 5.0359 5.0359 6.4612 6.4612 6.4707 6.4707 16.5552 16.5552 16.5610 16.5610 17.9162 17.9162 17.9178 17.9178 k = 0.2857 0.3353 0.3004 ( 2056 PWs) bands (ev): -13.7418 -13.7418 -13.7414 -13.7414 -9.6690 -9.6690 -9.6680 -9.6680 -0.5741 -0.5741 -0.5702 -0.5702 0.9194 0.9194 0.9224 0.9224 3.4477 3.4477 3.4522 3.4522 4.1001 4.1001 4.1090 4.1090 5.0259 5.0259 5.0404 5.0404 6.4512 6.4512 6.4608 6.4608 16.5720 16.5720 16.5778 16.5778 17.9212 17.9212 17.9227 17.9227 k = 0.2768 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.7534 -13.7534 -13.7529 -13.7529 -9.6882 -9.6882 -9.6872 -9.6872 -0.5746 -0.5746 -0.5707 -0.5707 0.9681 0.9681 0.9711 0.9711 3.4816 3.4816 3.4858 3.4858 4.1166 4.1166 4.1252 4.1252 5.0312 5.0312 5.0460 5.0460 6.4409 6.4409 6.4505 6.4505 16.5867 16.5867 16.5924 16.5924 17.9206 17.9206 17.9220 17.9220 k = 0.2679 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.7650 -13.7650 -13.7645 -13.7645 -9.7074 -9.7074 -9.7064 -9.7064 -0.5750 -0.5750 -0.5713 -0.5713 1.0161 1.0161 1.0190 1.0190 3.5153 3.5153 3.5195 3.5195 4.1350 4.1350 4.1434 4.1434 5.0378 5.0378 5.0528 5.0528 6.4301 6.4301 6.4399 6.4399 16.5990 16.5990 16.6046 16.6046 17.9140 17.9140 17.9155 17.9155 k = 0.2589 0.3353 0.3004 ( 2072 PWs) bands (ev): -13.7766 -13.7766 -13.7762 -13.7762 -9.7266 -9.7266 -9.7256 -9.7256 -0.5756 -0.5756 -0.5719 -0.5719 1.0632 1.0632 1.0661 1.0661 3.5490 3.5490 3.5531 3.5531 4.1554 4.1554 4.1634 4.1634 5.0458 5.0458 5.0611 5.0611 6.4191 6.4191 6.4289 6.4289 16.6086 16.6086 16.6141 16.6141 17.9013 17.9013 17.9028 17.9028 k = 0.2500 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.7882 -13.7882 -13.7878 -13.7878 -9.7458 -9.7458 -9.7447 -9.7447 -0.5761 -0.5761 -0.5726 -0.5726 1.1093 1.1093 1.1122 1.1122 3.5825 3.5825 3.5866 3.5866 4.1773 4.1773 4.1850 4.1850 5.0555 5.0555 5.0711 5.0711 6.4077 6.4077 6.4176 6.4176 16.6154 16.6154 16.6207 16.6207 17.8826 17.8826 17.8840 17.8840 k = 0.2411 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.7998 -13.7998 -13.7993 -13.7993 -9.7648 -9.7648 -9.7638 -9.7638 -0.5768 -0.5768 -0.5733 -0.5733 1.1541 1.1541 1.1570 1.1570 3.6159 3.6159 3.6201 3.6201 4.2005 4.2005 4.2079 4.2079 5.0671 5.0671 5.0829 5.0829 6.3959 6.3959 6.4059 6.4059 16.6189 16.6189 16.6241 16.6241 17.8578 17.8578 17.8592 17.8592 k = 0.2321 0.3353 0.3004 ( 2056 PWs) bands (ev): -13.8113 -13.8113 -13.8108 -13.8108 -9.7836 -9.7836 -9.7826 -9.7826 -0.5775 -0.5775 -0.5742 -0.5742 1.1976 1.1976 1.2004 1.2004 3.6491 3.6491 3.6536 3.6536 4.2247 4.2247 4.2317 4.2317 5.0807 5.0807 5.0968 5.0968 6.3838 6.3838 6.3939 6.3939 16.6191 16.6191 16.6241 16.6241 17.8274 17.8274 17.8288 17.8288 k = 0.2232 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.8227 -13.8227 -13.8222 -13.8222 -9.8021 -9.8021 -9.8012 -9.8012 -0.5784 -0.5784 -0.5752 -0.5752 1.2394 1.2394 1.2422 1.2422 3.6824 3.6824 3.6871 3.6871 4.2493 4.2493 4.2559 4.2559 5.0967 5.0967 5.1131 5.1131 6.3714 6.3714 6.3816 6.3816 16.6158 16.6158 16.6206 16.6206 17.7918 17.7918 17.7932 17.7932 k = 0.2143 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.8339 -13.8339 -13.8335 -13.8335 -9.8204 -9.8204 -9.8195 -9.8195 -0.5794 -0.5794 -0.5763 -0.5763 1.2796 1.2796 1.2823 1.2823 3.7158 3.7158 3.7207 3.7207 4.2739 4.2739 4.2801 4.2801 5.1152 5.1152 5.1317 5.1317 6.3587 6.3587 6.3690 6.3690 16.6089 16.6089 16.6134 16.6134 17.7515 17.7515 17.7530 17.7530 k = 0.2054 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.8450 -13.8450 -13.8446 -13.8446 -9.8383 -9.8383 -9.8374 -9.8374 -0.5804 -0.5804 -0.5775 -0.5775 1.3179 1.3179 1.3206 1.3206 3.7494 3.7494 3.7546 3.7546 4.2981 4.2981 4.3039 4.3039 5.1363 5.1363 5.1531 5.1531 6.3457 6.3457 6.3561 6.3561 16.5984 16.5984 16.6027 16.6027 17.7073 17.7073 17.7088 17.7088 k = 0.1964 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.8558 -13.8558 -13.8554 -13.8554 -9.8559 -9.8559 -9.8550 -9.8550 -0.5816 -0.5816 -0.5788 -0.5788 1.3543 1.3543 1.3569 1.3569 3.7832 3.7832 3.7887 3.7887 4.3214 4.3214 4.3268 4.3268 5.1602 5.1602 5.1772 5.1772 6.3323 6.3323 6.3429 6.3429 16.5842 16.5842 16.5883 16.5883 17.6596 17.6596 17.6612 17.6612 k = 0.1875 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.8664 -13.8664 -13.8660 -13.8660 -9.8730 -9.8730 -9.8721 -9.8721 -0.5828 -0.5828 -0.5801 -0.5801 1.3887 1.3887 1.3912 1.3912 3.8174 3.8174 3.8232 3.8232 4.3436 4.3436 4.3485 4.3485 5.1870 5.1870 5.2040 5.2040 6.3187 6.3187 6.3294 6.3294 16.5665 16.5665 16.5703 16.5703 17.6092 17.6092 17.6109 17.6109 k = 0.1786 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.8767 -13.8767 -13.8763 -13.8763 -9.8896 -9.8896 -9.8887 -9.8887 -0.5841 -0.5841 -0.5816 -0.5816 1.4211 1.4211 1.4235 1.4235 3.8519 3.8519 3.8580 3.8580 4.3642 4.3642 4.3687 4.3687 5.2165 5.2165 5.2336 5.2336 6.3048 6.3048 6.3156 6.3156 16.5454 16.5454 16.5490 16.5490 17.5568 17.5568 17.5586 17.5586 k = 0.1696 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.8867 -13.8867 -13.8863 -13.8863 -9.9056 -9.9056 -9.9048 -9.9048 -0.5855 -0.5855 -0.5830 -0.5830 1.4513 1.4513 1.4537 1.4537 3.8867 3.8867 3.8931 3.8931 4.3831 4.3831 4.3871 4.3871 5.2486 5.2486 5.2657 5.2657 6.2906 6.2906 6.3016 6.3016 16.5212 16.5212 16.5246 16.5246 17.5030 17.5030 17.5048 17.5048 k = 0.1607 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.8964 -13.8964 -13.8961 -13.8961 -9.9211 -9.9211 -9.9203 -9.9203 -0.5870 -0.5870 -0.5846 -0.5846 1.4795 1.4795 1.4818 1.4818 3.9218 3.9218 3.9284 3.9284 4.4001 4.4001 4.4038 4.4038 5.2831 5.2831 5.3002 5.3002 6.2761 6.2761 6.2873 6.2873 16.4942 16.4942 16.4973 16.4973 17.4484 17.4484 17.4502 17.4502 k = 0.1518 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9057 -13.9057 -13.9054 -13.9054 -9.9360 -9.9360 -9.9352 -9.9352 -0.5884 -0.5884 -0.5862 -0.5862 1.5056 1.5056 1.5078 1.5078 3.9570 3.9570 3.9638 3.9638 4.4153 4.4153 4.4186 4.4186 5.3197 5.3197 5.3369 5.3369 6.2613 6.2613 6.2727 6.2727 16.4647 16.4647 16.4675 16.4675 17.3935 17.3935 17.3953 17.3953 k = 0.1429 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9147 -13.9147 -13.9143 -13.9143 -9.9502 -9.9502 -9.9495 -9.9495 -0.5899 -0.5899 -0.5878 -0.5878 1.5297 1.5297 1.5318 1.5318 3.9922 3.9922 3.9992 3.9992 4.4285 4.4285 4.4315 4.4315 5.3582 5.3582 5.3753 5.3753 6.2463 6.2463 6.2578 6.2578 16.4332 16.4332 16.4358 16.4358 17.3389 17.3389 17.3407 17.3407 k = 0.1339 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9232 -13.9232 -13.9228 -13.9228 -9.9637 -9.9637 -9.9630 -9.9630 -0.5914 -0.5914 -0.5895 -0.5895 1.5517 1.5517 1.5537 1.5537 4.0273 4.0273 4.0345 4.0345 4.4399 4.4399 4.4427 4.4427 5.3980 5.3980 5.4150 5.4150 6.2309 6.2309 6.2427 6.2427 16.4000 16.4000 16.4024 16.4024 17.2851 17.2851 17.2869 17.2869 k = 0.1250 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9312 -13.9312 -13.9309 -13.9309 -9.9765 -9.9765 -9.9759 -9.9759 -0.5929 -0.5929 -0.5911 -0.5911 1.5718 1.5718 1.5737 1.5737 4.0621 4.0621 4.0693 4.0693 4.4495 4.4495 4.4523 4.4523 5.4388 5.4388 5.4558 5.4558 6.2152 6.2152 6.2273 6.2273 16.3658 16.3658 16.3679 16.3679 17.2325 17.2325 17.2343 17.2343 k = 0.1161 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9388 -13.9388 -13.9386 -13.9386 -9.9886 -9.9886 -9.9880 -9.9880 -0.5943 -0.5943 -0.5926 -0.5926 1.5901 1.5901 1.5919 1.5919 4.0962 4.0962 4.1036 4.1036 4.4576 4.4576 4.4604 4.4604 5.4802 5.4802 5.4971 5.4971 6.1993 6.1993 6.2115 6.2115 16.3309 16.3309 16.3329 16.3329 17.1816 17.1816 17.1833 17.1833 k = 0.1071 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9460 -13.9460 -13.9457 -13.9457 -9.9998 -9.9998 -9.9993 -9.9993 -0.5957 -0.5957 -0.5942 -0.5942 1.6066 1.6066 1.6082 1.6082 4.1296 4.1296 4.1371 4.1371 4.4641 4.4641 4.4671 4.4671 5.5218 5.5218 5.5386 5.5386 6.1829 6.1829 6.1955 6.1955 16.2960 16.2960 16.2978 16.2978 17.1327 17.1327 17.1344 17.1344 k = 0.0982 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.9526 -13.9526 -13.9523 -13.9523 -10.0103 -10.0103 -10.0098 -10.0098 -0.5971 -0.5971 -0.5957 -0.5957 1.6213 1.6213 1.6229 1.6229 4.1620 4.1620 4.1695 4.1695 4.4693 4.4693 4.4725 4.4725 5.5632 5.5632 5.5800 5.5800 6.1662 6.1662 6.1790 6.1790 16.2616 16.2616 16.2632 16.2632 17.0863 17.0863 17.0879 17.0879 k = 0.0893 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9587 -13.9587 -13.9585 -13.9585 -10.0199 -10.0199 -10.0195 -10.0195 -0.5984 -0.5984 -0.5971 -0.5971 1.6345 1.6345 1.6359 1.6359 4.1931 4.1931 4.2005 4.2005 4.4732 4.4732 4.4767 4.4767 5.6041 5.6041 5.6208 5.6208 6.1491 6.1491 6.1622 6.1622 16.2282 16.2282 16.2296 16.2296 17.0427 17.0427 17.0442 17.0442 k = 0.0804 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.9643 -13.9643 -13.9641 -13.9641 -10.0287 -10.0287 -10.0283 -10.0283 -0.5996 -0.5996 -0.5985 -0.5985 1.6460 1.6460 1.6473 1.6473 4.2226 4.2226 4.2300 4.2300 4.4761 4.4761 4.4799 4.4799 5.6441 5.6441 5.6608 5.6608 6.1316 6.1316 6.1450 6.1450 16.1963 16.1963 16.1975 16.1975 17.0021 17.0021 17.0036 17.0036 k = 0.0714 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9693 -13.9693 -13.9692 -13.9692 -10.0366 -10.0366 -10.0362 -10.0362 -0.6008 -0.6008 -0.5997 -0.5997 1.6562 1.6562 1.6573 1.6573 4.2503 4.2503 4.2576 4.2576 4.4780 4.4780 4.4820 4.4820 5.6831 5.6831 5.6998 5.6998 6.1136 6.1136 6.1272 6.1272 16.1663 16.1663 16.1674 16.1674 16.9650 16.9650 16.9663 16.9663 k = 0.0625 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9738 -13.9738 -13.9736 -13.9736 -10.0436 -10.0436 -10.0433 -10.0433 -0.6018 -0.6018 -0.6009 -0.6009 1.6649 1.6649 1.6659 1.6659 4.2760 4.2760 4.2831 4.2831 4.4790 4.4790 4.4832 4.4832 5.7208 5.7208 5.7374 5.7374 6.0950 6.0950 6.1090 6.1090 16.1388 16.1388 16.1397 16.1397 16.9316 16.9316 16.9327 16.9327 k = 0.0536 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9777 -13.9777 -13.9776 -13.9776 -10.0497 -10.0497 -10.0495 -10.0495 -0.6027 -0.6027 -0.6019 -0.6019 1.6724 1.6724 1.6732 1.6732 4.2993 4.2993 4.3062 4.3062 4.4792 4.4792 4.4836 4.4836 5.7571 5.7571 5.7736 5.7736 6.0758 6.0758 6.0900 6.0900 16.1141 16.1141 16.1149 16.1149 16.9020 16.9020 16.9031 16.9031 k = 0.0446 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.9810 -13.9810 -13.9809 -13.9809 -10.0549 -10.0549 -10.0547 -10.0547 -0.6034 -0.6034 -0.6028 -0.6028 1.6786 1.6786 1.6793 1.6793 4.3202 4.3202 4.3267 4.3267 4.4788 4.4788 4.4832 4.4832 5.7918 5.7918 5.8082 5.8082 6.0558 6.0558 6.0704 6.0704 16.0926 16.0926 16.0932 16.0932 16.8767 16.8767 16.8776 16.8776 k = 0.0357 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9837 -13.9837 -13.9836 -13.9836 -10.0592 -10.0592 -10.0590 -10.0590 -0.6040 -0.6040 -0.6035 -0.6035 1.6836 1.6836 1.6841 1.6841 4.3383 4.3383 4.3441 4.3441 4.4779 4.4779 4.4821 4.4821 5.8249 5.8249 5.8412 5.8412 6.0351 6.0351 6.0499 6.0499 16.0746 16.0746 16.0751 16.0751 16.8557 16.8557 16.8564 16.8564 k = 0.0268 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9859 -13.9859 -13.9858 -13.9858 -10.0625 -10.0625 -10.0624 -10.0624 -0.6045 -0.6045 -0.6041 -0.6041 1.6874 1.6874 1.6879 1.6879 4.3533 4.3533 4.3582 4.3582 4.4769 4.4769 4.4805 4.4805 5.8563 5.8563 5.8725 5.8725 6.0134 6.0134 6.0285 6.0285 16.0603 16.0603 16.0607 16.0607 16.8392 16.8392 16.8397 16.8397 k = 0.0179 0.3353 0.3004 ( 2064 PWs) bands (ev): -13.9874 -13.9874 -13.9873 -13.9873 -10.0649 -10.0649 -10.0648 -10.0648 -0.6049 -0.6049 -0.6046 -0.6046 1.6902 1.6902 1.6905 1.6905 4.3648 4.3648 4.3684 4.3684 4.4760 4.4760 4.4787 4.4787 5.8860 5.8860 5.9020 5.9020 5.9908 5.9908 6.0060 6.0060 16.0500 16.0500 16.0502 16.0502 16.8274 16.8274 16.8277 16.8277 k = 0.0089 0.3353 0.3004 ( 2060 PWs) bands (ev): -13.9883 -13.9883 -13.9882 -13.9882 -10.0663 -10.0663 -10.0662 -10.0662 -0.6050 -0.6050 -0.6049 -0.6049 1.6918 1.6918 1.6920 1.6920 4.3724 4.3724 4.3743 4.3743 4.4756 4.4756 4.4771 4.4771 5.9139 5.9139 5.9295 5.9295 5.9674 5.9674 5.9825 5.9825 16.0438 16.0438 16.0439 16.0439 16.8203 16.8203 16.8204 16.8204 k = 0.0000 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9886 -13.9886 -13.9886 -13.9886 -10.0667 -10.0667 -10.0667 -10.0667 -0.6051 -0.6051 -0.6051 -0.6051 1.6924 1.6924 1.6924 1.6924 4.3756 4.3756 4.3756 4.3756 4.4759 4.4759 4.4759 4.4759 5.9391 5.9391 5.9391 5.9391 5.9589 5.9589 5.9589 5.9589 16.0417 16.0417 16.0417 16.0417 16.8179 16.8179 16.8179 16.8179 k = 0.0000 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9886 -13.9886 -13.9886 -13.9886 -10.0667 -10.0667 -10.0667 -10.0667 -0.6051 -0.6051 -0.6051 -0.6051 1.6924 1.6924 1.6924 1.6924 4.3756 4.3756 4.3756 4.3756 4.4759 4.4759 4.4759 4.4759 5.9391 5.9391 5.9391 5.9391 5.9589 5.9589 5.9589 5.9589 16.0417 16.0417 16.0417 16.0417 16.8179 16.8179 16.8179 16.8179 k = 0.0000 0.3265 0.3004 ( 2060 PWs) bands (ev): -13.9888 -13.9888 -13.9888 -13.9888 -10.0662 -10.0662 -10.0662 -10.0662 -0.6059 -0.6059 -0.6058 -0.6058 1.6933 1.6933 1.6934 1.6934 4.3753 4.3753 4.3753 4.3753 4.4743 4.4743 4.4743 4.4743 5.9397 5.9397 5.9397 5.9397 5.9596 5.9596 5.9596 5.9596 16.0363 16.0363 16.0368 16.0368 16.8246 16.8246 16.8252 16.8252 k = 0.0000 0.3177 0.3004 ( 2060 PWs) bands (ev): -13.9896 -13.9896 -13.9896 -13.9896 -10.0645 -10.0645 -10.0645 -10.0645 -0.6082 -0.6082 -0.6081 -0.6081 1.6961 1.6961 1.6963 1.6963 4.3742 4.3742 4.3743 4.3743 4.4694 4.4694 4.4695 4.4695 5.9414 5.9414 5.9414 5.9414 5.9615 5.9615 5.9616 5.9616 16.0211 16.0211 16.0221 16.0221 16.8445 16.8445 16.8457 16.8457 k = 0.0000 0.3088 0.3004 ( 2064 PWs) bands (ev): -13.9908 -13.9908 -13.9908 -13.9908 -10.0616 -10.0616 -10.0616 -10.0616 -0.6122 -0.6122 -0.6120 -0.6120 1.7007 1.7007 1.7011 1.7011 4.3725 4.3725 4.3725 4.3725 4.4614 4.4614 4.4616 4.4616 5.9441 5.9441 5.9442 5.9442 5.9648 5.9648 5.9649 5.9649 15.9978 15.9978 15.9992 15.9992 16.8761 16.8761 16.8779 16.8779 k = 0.0000 0.3000 0.3004 ( 2068 PWs) bands (ev): -13.9925 -13.9925 -13.9925 -13.9925 -10.0577 -10.0577 -10.0577 -10.0577 -0.6176 -0.6176 -0.6173 -0.6173 1.7071 1.7071 1.7075 1.7075 4.3701 4.3701 4.3701 4.3701 4.4505 4.4505 4.4508 4.4508 5.9478 5.9478 5.9479 5.9479 5.9692 5.9692 5.9695 5.9695 15.9682 15.9682 15.9698 15.9698 16.9175 16.9175 16.9197 16.9197 k = 0.0000 0.2912 0.3004 ( 2060 PWs) bands (ev): -13.9947 -13.9947 -13.9947 -13.9947 -10.0527 -10.0527 -10.0527 -10.0527 -0.6243 -0.6243 -0.6240 -0.6240 1.7151 1.7151 1.7156 1.7156 4.3670 4.3670 4.3670 4.3670 4.4370 4.4370 4.4374 4.4374 5.9523 5.9523 5.9524 5.9524 5.9748 5.9748 5.9751 5.9751 15.9342 15.9342 15.9361 15.9361 16.9665 16.9665 16.9692 16.9692 k = 0.0000 0.2824 0.3004 ( 2056 PWs) bands (ev): -13.9973 -13.9973 -13.9973 -13.9973 -10.0467 -10.0467 -10.0467 -10.0467 -0.6325 -0.6325 -0.6321 -0.6321 1.7246 1.7246 1.7253 1.7253 4.3632 4.3632 4.3633 4.3633 4.4213 4.4213 4.4216 4.4216 5.9576 5.9576 5.9577 5.9577 5.9814 5.9814 5.9817 5.9817 15.8974 15.8974 15.8995 15.8995 17.0214 17.0214 17.0244 17.0244 k = 0.0000 0.2735 0.3004 ( 2058 PWs) bands (ev): -14.0004 -14.0004 -14.0004 -14.0004 -10.0397 -10.0397 -10.0397 -10.0397 -0.6419 -0.6419 -0.6415 -0.6415 1.7355 1.7355 1.7363 1.7363 4.3588 4.3588 4.3590 4.3590 4.4036 4.4036 4.4039 4.4039 5.9635 5.9635 5.9637 5.9637 5.9886 5.9886 5.9890 5.9890 15.8592 15.8592 15.8613 15.8613 17.0806 17.0806 17.0838 17.0838 k = 0.0000 0.2647 0.3004 ( 2056 PWs) bands (ev): -14.0039 -14.0039 -14.0039 -14.0039 -10.0317 -10.0317 -10.0317 -10.0317 -0.6524 -0.6524 -0.6520 -0.6520 1.7476 1.7476 1.7485 1.7485 4.3536 4.3536 4.3539 4.3539 4.3845 4.3845 4.3848 4.3848 5.9701 5.9701 5.9702 5.9702 5.9963 5.9963 5.9967 5.9967 15.8204 15.8204 15.8227 15.8227 17.1428 17.1428 17.1463 17.1463 k = 0.0000 0.2559 0.3004 ( 2052 PWs) bands (ev): -14.0077 -14.0077 -14.0077 -14.0077 -10.0228 -10.0228 -10.0228 -10.0228 -0.6640 -0.6640 -0.6635 -0.6635 1.7607 1.7607 1.7616 1.7616 4.3472 4.3472 4.3478 4.3478 4.3650 4.3650 4.3651 4.3651 5.9772 5.9772 5.9774 5.9774 6.0043 6.0043 6.0047 6.0047 15.7819 15.7819 15.7842 15.7842 17.2069 17.2069 17.2106 17.2106 k = 0.0000 0.2471 0.3004 ( 2052 PWs) bands (ev): -14.0119 -14.0119 -14.0119 -14.0119 -10.0132 -10.0132 -10.0132 -10.0132 -0.6765 -0.6765 -0.6759 -0.6759 1.7745 1.7745 1.7756 1.7756 4.3360 4.3360 4.3373 4.3373 4.3484 4.3484 4.3490 4.3490 5.9848 5.9848 5.9850 5.9850 6.0122 6.0122 6.0127 6.0127 15.7441 15.7441 15.7464 15.7464 17.2721 17.2721 17.2759 17.2759 k = 0.0000 0.2383 0.3004 ( 2052 PWs) bands (ev): -14.0164 -14.0164 -14.0164 -14.0164 -10.0027 -10.0027 -10.0027 -10.0027 -0.6898 -0.6898 -0.6892 -0.6892 1.7890 1.7890 1.7901 1.7901 4.3171 4.3171 4.3183 4.3183 4.3395 4.3395 4.3399 4.3399 5.9928 5.9928 5.9930 5.9930 6.0198 6.0198 6.0204 6.0204 15.7075 15.7075 15.7097 15.7097 17.3373 17.3373 17.3413 17.3413 k = 0.0000 0.2294 0.3004 ( 2056 PWs) bands (ev): -14.0212 -14.0212 -14.0212 -14.0212 -9.9916 -9.9916 -9.9916 -9.9916 -0.7038 -0.7038 -0.7032 -0.7032 1.8038 1.8038 1.8050 1.8050 4.2958 4.2958 4.2970 4.2970 4.3324 4.3324 4.3327 4.3327 6.0011 6.0011 6.0013 6.0013 6.0271 6.0271 6.0276 6.0276 15.6722 15.6722 15.6745 15.6745 17.4018 17.4018 17.4060 17.4060 k = 0.0000 0.2206 0.3004 ( 2056 PWs) bands (ev): -14.0263 -14.0263 -14.0263 -14.0263 -9.9798 -9.9798 -9.9798 -9.9798 -0.7183 -0.7183 -0.7176 -0.7176 1.8187 1.8187 1.8200 1.8200 4.2744 4.2744 4.2756 4.2756 4.3255 4.3255 4.3257 4.3257 6.0096 6.0096 6.0098 6.0098 6.0338 6.0338 6.0344 6.0344 15.6387 15.6387 15.6410 15.6410 17.4649 17.4649 17.4692 17.4692 k = 0.0000 0.2118 0.3004 ( 2056 PWs) bands (ev): -14.0315 -14.0315 -14.0315 -14.0315 -9.9675 -9.9675 -9.9675 -9.9675 -0.7332 -0.7332 -0.7326 -0.7326 1.8336 1.8336 1.8349 1.8349 4.2536 4.2536 4.2548 4.2548 4.3184 4.3184 4.3186 4.3186 6.0179 6.0179 6.0182 6.0182 6.0400 6.0400 6.0406 6.0406 15.6069 15.6069 15.6091 15.6091 17.5257 17.5257 17.5301 17.5301 k = 0.0000 0.2030 0.3004 ( 2054 PWs) bands (ev): -14.0369 -14.0369 -14.0369 -14.0369 -9.9548 -9.9548 -9.9548 -9.9548 -0.7484 -0.7484 -0.7478 -0.7478 1.8481 1.8481 1.8495 1.8495 4.2337 4.2337 4.2349 4.2349 4.3113 4.3113 4.3114 4.3114 6.0258 6.0258 6.0260 6.0260 6.0459 6.0459 6.0465 6.0465 15.5770 15.5770 15.5792 15.5792 17.5834 17.5834 17.5880 17.5880 k = 0.0000 0.1941 0.3004 ( 2058 PWs) bands (ev): -14.0425 -14.0425 -14.0424 -14.0424 -9.9417 -9.9417 -9.9417 -9.9417 -0.7639 -0.7639 -0.7632 -0.7632 1.8622 1.8622 1.8636 1.8636 4.2151 4.2151 4.2162 4.2162 4.3040 4.3040 4.3041 4.3041 6.0325 6.0325 6.0327 6.0327 6.0520 6.0520 6.0526 6.0526 15.5491 15.5491 15.5512 15.5512 17.6374 17.6374 17.6420 17.6420 k = 0.0000 0.1853 0.3004 ( 2068 PWs) bands (ev): -14.0481 -14.0481 -14.0481 -14.0481 -9.9284 -9.9284 -9.9283 -9.9283 -0.7794 -0.7794 -0.7787 -0.7787 1.8755 1.8755 1.8770 1.8770 4.1979 4.1979 4.1991 4.1991 4.2967 4.2967 4.2968 4.2968 6.0372 6.0372 6.0373 6.0373 6.0590 6.0590 6.0595 6.0595 15.5230 15.5230 15.5251 15.5251 17.6869 17.6869 17.6915 17.6915 k = 0.0000 0.1765 0.3004 ( 2068 PWs) bands (ev): -14.0538 -14.0538 -14.0538 -14.0538 -9.9148 -9.9148 -9.9148 -9.9148 -0.7949 -0.7949 -0.7942 -0.7942 1.8881 1.8881 1.8896 1.8896 4.1825 4.1825 4.1837 4.1837 4.2893 4.2893 4.2894 4.2894 6.0397 6.0397 6.0397 6.0397 6.0671 6.0671 6.0675 6.0675 15.4990 15.4990 15.5010 15.5010 17.7314 17.7314 17.7361 17.7361 k = 0.0000 0.1677 0.3004 ( 2068 PWs) bands (ev): -14.0595 -14.0595 -14.0595 -14.0595 -9.9012 -9.9012 -9.9012 -9.9012 -0.8102 -0.8102 -0.8096 -0.8096 1.8997 1.8997 1.9012 1.9012 4.1690 4.1690 4.1702 4.1702 4.2820 4.2820 4.2821 4.2821 6.0400 6.0400 6.0402 6.0402 6.0760 6.0760 6.0762 6.0762 15.4768 15.4768 15.4788 15.4788 17.7704 17.7704 17.7751 17.7751 k = 0.0000 0.1588 0.3004 ( 2068 PWs) bands (ev): -14.0652 -14.0652 -14.0652 -14.0652 -9.8876 -9.8876 -9.8875 -9.8875 -0.8254 -0.8254 -0.8247 -0.8247 1.9102 1.9102 1.9117 1.9117 4.1574 4.1574 4.1586 4.1586 4.2748 4.2748 4.2749 4.2749 6.0387 6.0387 6.0389 6.0389 6.0852 6.0852 6.0854 6.0854 15.4565 15.4565 15.4584 15.4584 17.8037 17.8037 17.8082 17.8082 k = 0.0000 0.1500 0.3004 ( 2068 PWs) bands (ev): -14.0708 -14.0708 -14.0707 -14.0707 -9.8740 -9.8740 -9.8740 -9.8740 -0.8401 -0.8401 -0.8395 -0.8395 1.9195 1.9195 1.9210 1.9210 4.1480 4.1480 4.1492 4.1492 4.2677 4.2677 4.2678 4.2678 6.0358 6.0358 6.0361 6.0361 6.0945 6.0945 6.0946 6.0946 15.4381 15.4381 15.4399 15.4399 17.8310 17.8310 17.8354 17.8354 k = 0.0000 0.1412 0.3004 ( 2070 PWs) bands (ev): -14.0763 -14.0763 -14.0762 -14.0762 -9.8607 -9.8607 -9.8607 -9.8607 -0.8545 -0.8545 -0.8539 -0.8539 1.9277 1.9277 1.9291 1.9291 4.1406 4.1406 4.1418 4.1418 4.2607 4.2607 4.2609 4.2609 6.0316 6.0316 6.0319 6.0319 6.1037 6.1037 6.1038 6.1038 15.4214 15.4214 15.4231 15.4231 17.8526 17.8526 17.8568 17.8568 k = 0.0000 0.1324 0.3004 ( 2070 PWs) bands (ev): -14.0816 -14.0816 -14.0816 -14.0816 -9.8476 -9.8476 -9.8476 -9.8476 -0.8684 -0.8684 -0.8678 -0.8678 1.9347 1.9347 1.9361 1.9361 4.1352 4.1352 4.1364 4.1364 4.2540 4.2540 4.2541 4.2541 6.0263 6.0263 6.0266 6.0266 6.1128 6.1128 6.1129 6.1129 15.4063 15.4063 15.4080 15.4080 17.8687 17.8687 17.8727 17.8727 k = 0.0000 0.1235 0.3004 ( 2074 PWs) bands (ev): -14.0868 -14.0868 -14.0868 -14.0868 -9.8349 -9.8349 -9.8349 -9.8349 -0.8818 -0.8818 -0.8812 -0.8812 1.9404 1.9404 1.9418 1.9418 4.1318 4.1318 4.1330 4.1330 4.2476 4.2476 4.2477 4.2477 6.0200 6.0200 6.0203 6.0203 6.1216 6.1216 6.1217 6.1217 15.3929 15.3929 15.3945 15.3945 17.8797 17.8797 17.8836 17.8836 k = 0.0000 0.1147 0.3004 ( 2076 PWs) bands (ev): -14.0918 -14.0918 -14.0918 -14.0918 -9.8227 -9.8227 -9.8227 -9.8227 -0.8945 -0.8945 -0.8939 -0.8939 1.9451 1.9451 1.9464 1.9464 4.1303 4.1303 4.1314 4.1314 4.2414 4.2414 4.2415 4.2415 6.0129 6.0129 6.0132 6.0132 6.1301 6.1301 6.1301 6.1301 15.3809 15.3809 15.3824 15.3824 17.8864 17.8864 17.8899 17.8899 k = 0.0000 0.1059 0.3004 ( 2078 PWs) bands (ev): -14.0965 -14.0965 -14.0965 -14.0965 -9.8110 -9.8110 -9.8110 -9.8110 -0.9065 -0.9065 -0.9060 -0.9060 1.9487 1.9487 1.9500 1.9500 4.1303 4.1303 4.1314 4.1314 4.2356 4.2356 4.2357 4.2357 6.0050 6.0050 6.0054 6.0054 6.1381 6.1381 6.1382 6.1382 15.3704 15.3704 15.3718 15.3718 17.8893 17.8893 17.8926 17.8926 k = 0.0000 0.0971 0.3004 ( 2078 PWs) bands (ev): -14.1010 -14.1010 -14.1010 -14.1010 -9.7999 -9.7999 -9.7999 -9.7999 -0.9178 -0.9178 -0.9173 -0.9173 1.9514 1.9514 1.9526 1.9526 4.1318 4.1318 4.1328 4.1328 4.2301 4.2301 4.2302 4.2302 5.9968 5.9968 5.9971 5.9971 6.1458 6.1458 6.1458 6.1458 15.3611 15.3611 15.3624 15.3624 17.8892 17.8892 17.8922 17.8922 k = 0.0000 0.0882 0.3004 ( 2074 PWs) bands (ev): -14.1052 -14.1052 -14.1052 -14.1052 -9.7895 -9.7895 -9.7895 -9.7895 -0.9282 -0.9282 -0.9277 -0.9277 1.9532 1.9532 1.9543 1.9543 4.1345 4.1345 4.1355 4.1355 4.2250 4.2250 4.2251 4.2251 5.9883 5.9883 5.9885 5.9885 6.1529 6.1529 6.1529 6.1529 15.3530 15.3530 15.3542 15.3542 17.8867 17.8867 17.8895 17.8895 k = 0.0000 0.0794 0.3004 ( 2080 PWs) bands (ev): -14.1090 -14.1090 -14.1090 -14.1090 -9.7799 -9.7799 -9.7799 -9.7799 -0.9378 -0.9378 -0.9374 -0.9374 1.9543 1.9543 1.9553 1.9553 4.1381 4.1381 4.1390 4.1390 4.2203 4.2203 4.2204 4.2204 5.9796 5.9796 5.9799 5.9799 6.1595 6.1595 6.1595 6.1595 15.3460 15.3460 15.3471 15.3471 17.8826 17.8826 17.8850 17.8850 k = 0.0000 0.0706 0.3004 ( 2084 PWs) bands (ev): -14.1126 -14.1126 -14.1126 -14.1126 -9.7711 -9.7711 -9.7711 -9.7711 -0.9465 -0.9465 -0.9461 -0.9461 1.9549 1.9549 1.9558 1.9558 4.1423 4.1423 4.1431 4.1431 4.2161 4.2161 4.2162 4.2162 5.9712 5.9712 5.9714 5.9714 6.1655 6.1655 6.1655 6.1655 15.3400 15.3400 15.3410 15.3410 17.8773 17.8773 17.8795 17.8795 k = 0.0000 0.0618 0.3004 ( 2076 PWs) bands (ev): -14.1157 -14.1157 -14.1157 -14.1157 -9.7632 -9.7632 -9.7632 -9.7632 -0.9542 -0.9542 -0.9539 -0.9539 1.9550 1.9550 1.9558 1.9558 4.1469 4.1469 4.1476 4.1476 4.2123 4.2123 4.2125 4.2125 5.9631 5.9631 5.9634 5.9634 6.1709 6.1709 6.1709 6.1709 15.3350 15.3350 15.3359 15.3359 17.8716 17.8716 17.8734 17.8734 k = 0.0000 0.0529 0.3004 ( 2076 PWs) bands (ev): -14.1185 -14.1185 -14.1185 -14.1185 -9.7562 -9.7562 -9.7562 -9.7562 -0.9610 -0.9610 -0.9607 -0.9607 1.9548 1.9548 1.9555 1.9555 4.1515 4.1515 4.1522 4.1522 4.2091 4.2091 4.2092 4.2092 5.9556 5.9556 5.9558 5.9558 6.1756 6.1756 6.1756 6.1756 15.3308 15.3308 15.3316 15.3316 17.8657 17.8657 17.8673 17.8673 k = 0.0000 0.0441 0.3004 ( 2076 PWs) bands (ev): -14.1208 -14.1208 -14.1208 -14.1208 -9.7502 -9.7502 -9.7502 -9.7502 -0.9668 -0.9668 -0.9666 -0.9666 1.9544 1.9544 1.9550 1.9550 4.1559 4.1559 4.1565 4.1565 4.2063 4.2063 4.2064 4.2064 5.9489 5.9489 5.9491 5.9491 6.1796 6.1796 6.1796 6.1796 15.3274 15.3274 15.3281 15.3281 17.8601 17.8601 17.8614 17.8614 k = 0.0000 0.0353 0.3004 ( 2076 PWs) bands (ev): -14.1228 -14.1228 -14.1228 -14.1228 -9.7453 -9.7453 -9.7453 -9.7453 -0.9716 -0.9716 -0.9714 -0.9714 1.9540 1.9540 1.9544 1.9544 4.1599 4.1599 4.1604 4.1604 4.2040 4.2040 4.2041 4.2041 5.9431 5.9431 5.9433 5.9433 6.1829 6.1829 6.1830 6.1830 15.3247 15.3247 15.3253 15.3253 17.8552 17.8552 17.8562 17.8562 k = 0.0000 0.0265 0.3004 ( 2076 PWs) bands (ev): -14.1243 -14.1243 -14.1243 -14.1243 -9.7414 -9.7414 -9.7414 -9.7414 -0.9753 -0.9753 -0.9751 -0.9751 1.9535 1.9535 1.9539 1.9539 4.1632 4.1632 4.1636 4.1636 4.2023 4.2023 4.2024 4.2024 5.9385 5.9385 5.9386 5.9386 6.1856 6.1856 6.1856 6.1856 15.3227 15.3227 15.3231 15.3231 17.8511 17.8511 17.8519 17.8519 k = 0.0000 0.0176 0.3004 ( 2076 PWs) bands (ev): -14.1254 -14.1254 -14.1254 -14.1254 -9.7386 -9.7386 -9.7386 -9.7386 -0.9779 -0.9779 -0.9778 -0.9778 1.9531 1.9531 1.9534 1.9534 4.1657 4.1657 4.1660 4.1660 4.2011 4.2011 4.2012 4.2012 5.9350 5.9350 5.9351 5.9351 6.1874 6.1874 6.1874 6.1874 15.3213 15.3213 15.3216 15.3216 17.8481 17.8481 17.8486 17.8486 k = 0.0000 0.0088 0.3004 ( 2072 PWs) bands (ev): -14.1261 -14.1261 -14.1261 -14.1261 -9.7369 -9.7369 -9.7369 -9.7369 -0.9795 -0.9795 -0.9795 -0.9795 1.9529 1.9529 1.9531 1.9531 4.1673 4.1673 4.1674 4.1674 4.2004 4.2004 4.2004 4.2004 5.9330 5.9330 5.9330 5.9330 6.1886 6.1886 6.1886 6.1886 15.3206 15.3206 15.3207 15.3207 17.8463 17.8463 17.8465 17.8465 k = 0.0000 0.0000 0.3004 ( 2064 PWs) bands (ev): -14.1263 -14.1263 -14.1263 -14.1263 -9.7363 -9.7363 -9.7363 -9.7363 -0.9800 -0.9800 -0.9800 -0.9800 1.9529 1.9529 1.9529 1.9529 4.1679 4.1679 4.1679 4.1679 4.2002 4.2002 4.2002 4.2002 5.9323 5.9323 5.9323 5.9323 6.1890 6.1890 6.1890 6.1890 15.3203 15.3203 15.3203 15.3203 17.8457 17.8457 17.8457 17.8457 k = 0.0000 0.3353-0.0000 ( 2050 PWs) bands (ev): -14.4567 -14.4567 -13.4686 -13.4686 -10.7228 -10.7228 -9.2291 -9.2291 -1.0206 -1.0206 -0.9809 -0.9809 0.7261 0.7261 3.0374 3.0374 3.9215 3.9215 4.1701 4.1701 4.7980 4.7980 4.8830 4.8830 5.4402 5.4402 5.4577 5.4577 6.5084 6.5084 7.3607 7.3607 14.7303 14.7303 15.6055 15.6055 15.9099 15.9099 16.4343 16.4343 k = 0.0000 0.3353 0.0088 ( 2058 PWs) bands (ev): -14.4563 -14.4563 -13.4692 -13.4692 -10.7221 -10.7221 -9.2301 -9.2301 -1.0198 -1.0198 -0.9801 -0.9801 0.7268 0.7268 3.0365 3.0365 3.9220 3.9220 4.1679 4.1679 4.8006 4.8006 4.8825 4.8825 5.4397 5.4397 5.4577 5.4577 6.5077 6.5077 7.3585 7.3585 14.7322 14.7322 15.6079 15.6079 15.9106 15.9106 16.4351 16.4351 k = 0.0000 0.3353 0.0177 ( 2062 PWs) bands (ev): -14.4549 -14.4549 -13.4710 -13.4710 -10.7203 -10.7203 -9.2332 -9.2332 -1.0173 -1.0173 -0.9776 -0.9776 0.7289 0.7289 3.0337 3.0337 3.9234 3.9234 4.1615 4.1615 4.8083 4.8083 4.8808 4.8808 5.4380 5.4380 5.4579 5.4579 6.5058 6.5058 7.3522 7.3522 14.7380 14.7380 15.6151 15.6151 15.9126 15.9126 16.4376 16.4376 k = 0.0000 0.3353 0.0265 ( 2062 PWs) bands (ev): -14.4525 -14.4525 -13.4739 -13.4739 -10.7172 -10.7172 -9.2383 -9.2383 -1.0130 -1.0130 -0.9734 -0.9734 0.7323 0.7323 3.0291 3.0291 3.9256 3.9256 4.1513 4.1513 4.8205 4.8205 4.8781 4.8781 5.4344 5.4344 5.4591 5.4591 6.5026 6.5026 7.3417 7.3417 14.7477 14.7477 15.6269 15.6269 15.9161 15.9161 16.4418 16.4418 k = 0.0000 0.3353 0.0353 ( 2058 PWs) bands (ev): -14.4492 -14.4492 -13.4779 -13.4779 -10.7128 -10.7128 -9.2454 -9.2454 -1.0072 -1.0072 -0.9677 -0.9677 0.7371 0.7371 3.0225 3.0225 3.9289 3.9289 4.1380 4.1380 4.8367 4.8367 4.8746 4.8746 5.4285 5.4285 5.4616 5.4616 6.4981 6.4981 7.3271 7.3271 14.7612 14.7612 15.6434 15.6434 15.9209 15.9209 16.4476 16.4476 k = 0.0000 0.3353 0.0442 ( 2060 PWs) bands (ev): -14.4450 -14.4450 -13.4832 -13.4832 -10.7072 -10.7072 -9.2546 -9.2546 -0.9997 -0.9997 -0.9603 -0.9603 0.7434 0.7434 3.0138 3.0138 3.9330 3.9330 4.1224 4.1224 4.8548 4.8548 4.8717 4.8717 5.4203 5.4203 5.4654 5.4654 6.4924 6.4924 7.3085 7.3085 14.7785 14.7785 15.6642 15.6642 15.9271 15.9271 16.4550 16.4550 k = 0.0000 0.3353 0.0530 ( 2060 PWs) bands (ev): -14.4398 -14.4398 -13.4895 -13.4895 -10.7004 -10.7004 -9.2657 -9.2657 -0.9907 -0.9907 -0.9515 -0.9515 0.7511 0.7511 3.0029 3.0029 3.9380 3.9380 4.1053 4.1053 4.8598 4.8598 4.8837 4.8837 5.4099 5.4099 5.4704 5.4704 6.4854 6.4854 7.2860 7.2860 14.7994 14.7994 15.6893 15.6893 15.9346 15.9346 16.4639 16.4639 k = 0.0000 0.3353 0.0618 ( 2064 PWs) bands (ev): -14.4337 -14.4337 -13.4969 -13.4969 -10.6923 -10.6923 -9.2786 -9.2786 -0.9803 -0.9803 -0.9412 -0.9412 0.7602 0.7602 2.9894 2.9894 3.9439 3.9439 4.0874 4.0874 4.8538 4.8538 4.9083 4.9083 5.3974 5.3974 5.4765 5.4765 6.4772 6.4772 7.2599 7.2599 14.8238 14.8238 15.7184 15.7184 15.9434 15.9434 16.4744 16.4744 k = 0.0000 0.3353 0.0707 ( 2056 PWs) bands (ev): -14.4266 -14.4266 -13.5054 -13.5054 -10.6831 -10.6831 -9.2935 -9.2935 -0.9684 -0.9684 -0.9295 -0.9295 0.7709 0.7709 2.9733 2.9733 3.9507 3.9507 4.0697 4.0697 4.8458 4.8458 4.9358 4.9358 5.3829 5.3829 5.4837 5.4837 6.4679 6.4679 7.2302 7.2302 14.8517 14.8517 15.7511 15.7511 15.9535 15.9535 16.4864 16.4864 k = 0.0000 0.3353 0.0795 ( 2060 PWs) bands (ev): -14.4187 -14.4187 -13.5151 -13.5151 -10.6726 -10.6726 -9.3101 -9.3101 -0.9553 -0.9553 -0.9166 -0.9166 0.7830 0.7830 2.9542 2.9542 3.9583 3.9583 4.0528 4.0528 4.8365 4.8365 4.9652 4.9652 5.3664 5.3664 5.4919 5.4919 6.4573 6.4573 7.1973 7.1973 14.8829 14.8829 15.7872 15.7872 15.9650 15.9650 16.4997 16.4997 k = 0.0000 0.3353 0.0884 ( 2064 PWs) bands (ev): -14.4099 -14.4099 -13.5257 -13.5257 -10.6609 -10.6609 -9.3285 -9.3285 -0.9411 -0.9411 -0.9026 -0.9026 0.7968 0.7968 2.9322 2.9322 3.9667 3.9667 4.0373 4.0373 4.8262 4.8262 4.9960 4.9960 5.3480 5.3480 5.5011 5.5011 6.4456 6.4456 7.1612 7.1612 14.9172 14.9172 15.8261 15.8261 15.9778 15.9778 16.5143 16.5143 k = 0.0000 0.3353 0.0972 ( 2052 PWs) bands (ev): -14.4002 -14.4002 -13.5373 -13.5373 -10.6479 -10.6479 -9.3485 -9.3485 -0.9257 -0.9257 -0.8876 -0.8876 0.8122 0.8122 2.9069 2.9069 3.9759 3.9759 4.0239 4.0239 4.8149 4.8149 5.0280 5.0280 5.3277 5.3277 5.5112 5.5112 6.4329 6.4329 7.1224 7.1224 14.9545 14.9545 15.8672 15.8672 15.9923 15.9923 16.5302 16.5302 k = 0.0000 0.3353 0.1060 ( 2044 PWs) bands (ev): -14.3896 -14.3896 -13.5500 -13.5500 -10.6338 -10.6338 -9.3701 -9.3701 -0.9095 -0.9095 -0.8716 -0.8716 0.8292 0.8292 2.8782 2.8782 3.9857 3.9857 4.0131 4.0131 4.8025 4.8025 5.0610 5.0610 5.3055 5.3055 5.5223 5.5223 6.4191 6.4191 7.0809 7.0809 14.9945 14.9945 15.9094 15.9094 16.0090 16.0090 16.5472 16.5472 k = 0.0000 0.3353 0.1149 ( 2044 PWs) bands (ev): -14.3782 -14.3782 -13.5636 -13.5636 -10.6185 -10.6185 -9.3932 -9.3932 -0.8926 -0.8926 -0.8550 -0.8550 0.8480 0.8480 2.8462 2.8462 3.9944 3.9944 4.0070 4.0070 4.7893 4.7893 5.0948 5.0948 5.2814 5.2814 5.5343 5.5343 6.4042 6.4042 7.0370 7.0370 15.0371 15.0371 15.9507 15.9507 16.0295 16.0295 16.5652 16.5652 k = 0.0000 0.3353 0.1237 ( 2044 PWs) bands (ev): -14.3659 -14.3659 -13.5780 -13.5780 -10.6021 -10.6021 -9.4177 -9.4177 -0.8750 -0.8750 -0.8378 -0.8378 0.8685 0.8685 2.8107 2.8107 3.9955 3.9955 4.0121 4.0121 4.7752 4.7752 5.1294 5.1294 5.2556 5.2556 5.5471 5.5471 6.3884 6.3884 6.9911 6.9911 15.0821 15.0821 15.9875 15.9875 16.0568 16.0568 16.5840 16.5840 k = 0.0000 0.3353 0.1325 ( 2044 PWs) bands (ev): -14.3529 -14.3529 -13.5934 -13.5934 -10.5845 -10.5845 -9.4435 -9.4435 -0.8569 -0.8569 -0.8201 -0.8201 0.8909 0.8909 2.7719 2.7719 3.9942 3.9942 4.0237 4.0237 4.7602 4.7602 5.1644 5.1644 5.2281 5.2281 5.5608 5.5608 6.3717 6.3717 6.9433 6.9433 15.1292 15.1292 16.0163 16.0163 16.0938 16.0938 16.6035 16.6035 k = 0.0000 0.3353 0.1414 ( 2044 PWs) bands (ev): -14.3391 -14.3391 -13.6096 -13.6096 -10.5657 -10.5657 -9.4706 -9.4706 -0.8384 -0.8384 -0.8022 -0.8022 0.9151 0.9151 2.7299 2.7299 3.9954 3.9954 4.0368 4.0368 4.7444 4.7444 5.1943 5.1943 5.2047 5.2047 5.5754 5.5754 6.3541 6.3541 6.8938 6.8938 15.1782 15.1782 16.0385 16.0385 16.1386 16.1386 16.6236 16.6236 k = 0.0000 0.3353 0.1502 ( 2044 PWs) bands (ev): -14.3245 -14.3245 -13.6265 -13.6265 -10.5459 -10.5459 -9.4989 -9.4989 -0.8198 -0.8198 -0.7841 -0.7841 0.9413 0.9413 2.6848 2.6848 3.9997 3.9997 4.0508 4.0508 4.7278 4.7278 5.1668 5.1668 5.2375 5.2375 5.5907 5.5907 6.3356 6.3356 6.8431 6.8431 15.2288 15.2288 16.0571 16.0571 16.1875 16.1875 16.6440 16.6440 k = 0.0000 0.3353 0.1590 ( 2044 PWs) bands (ev): -14.3091 -14.3091 -13.6443 -13.6443 -10.5249 -10.5249 -9.5282 -9.5282 -0.8011 -0.8011 -0.7662 -0.7662 0.9695 0.9695 2.6369 2.6369 4.0073 4.0073 4.0656 4.0656 4.7106 4.7106 5.1343 5.1343 5.2743 5.2743 5.6069 5.6069 6.3164 6.3164 6.7912 6.7912 15.2808 15.2808 16.0738 16.0738 16.2382 16.2382 16.6647 16.6647 k = 0.0000 0.3353 0.1679 ( 2044 PWs) bands (ev): -14.2931 -14.2931 -13.6627 -13.6627 -10.5029 -10.5029 -9.5585 -9.5585 -0.7825 -0.7825 -0.7484 -0.7484 0.9997 0.9997 2.5864 2.5864 4.0180 4.0180 4.0811 4.0811 4.6926 4.6926 5.1001 5.1001 5.3118 5.3118 5.6238 5.6238 6.2964 6.2964 6.7384 6.7384 15.3339 15.3339 16.0892 16.0892 16.2895 16.2895 16.6852 16.6852 k = 0.0000 0.3353 0.1767 ( 2044 PWs) bands (ev): -14.2764 -14.2764 -13.6817 -13.6817 -10.4798 -10.4798 -9.5896 -9.5896 -0.7642 -0.7642 -0.7311 -0.7311 1.0319 1.0319 2.5335 2.5335 4.0319 4.0319 4.0973 4.0973 4.6740 4.6740 5.0644 5.0644 5.3499 5.3499 5.6414 5.6414 6.2757 6.2757 6.6850 6.6850 15.3877 15.3877 16.1033 16.1033 16.3406 16.3406 16.7055 16.7055 k = 0.0000 0.3353 0.1855 ( 2048 PWs) bands (ev): -14.2590 -14.2590 -13.7014 -13.7014 -10.4558 -10.4558 -9.6215 -9.6215 -0.7463 -0.7463 -0.7143 -0.7143 1.0663 1.0663 2.4785 2.4785 4.0488 4.0488 4.1142 4.1142 4.6549 4.6549 5.0273 5.0273 5.3886 5.3886 5.6598 5.6598 6.2544 6.2544 6.6310 6.6310 15.4420 15.4420 16.1160 16.1160 16.3908 16.3908 16.7252 16.7252 k = 0.0000 0.3353 0.1944 ( 2042 PWs) bands (ev): -14.2409 -14.2409 -13.7216 -13.7216 -10.4307 -10.4307 -9.6541 -9.6541 -0.7289 -0.7289 -0.6983 -0.6983 1.1027 1.1027 2.4218 2.4218 4.0685 4.0685 4.1317 4.1317 4.6352 4.6352 4.9889 4.9889 5.4278 5.4278 5.6788 5.6788 6.2326 6.2326 6.5768 6.5768 15.4965 15.4965 16.1271 16.1271 16.4398 16.4398 16.7442 16.7442 k = 0.0000 0.3353 0.2032 ( 2042 PWs) bands (ev): -14.2223 -14.2223 -13.7423 -13.7423 -10.4046 -10.4046 -9.6873 -9.6873 -0.7122 -0.7122 -0.6832 -0.6832 1.1413 1.1413 2.3635 2.3635 4.0910 4.0910 4.1498 4.1498 4.6151 4.6151 4.9493 4.9493 5.4677 5.4677 5.6985 5.6985 6.2102 6.2102 6.5225 6.5225 15.5508 15.5508 16.1364 16.1364 16.4871 16.4871 16.7621 16.7621 k = 0.0000 0.3353 0.2121 ( 2042 PWs) bands (ev): -14.2031 -14.2031 -13.7635 -13.7635 -10.3777 -10.3777 -9.7210 -9.7210 -0.6963 -0.6963 -0.6690 -0.6690 1.1819 1.1819 2.3040 2.3040 4.1160 4.1160 4.1685 4.1685 4.5945 4.5945 4.9086 4.9086 5.5081 5.5081 5.7188 5.7188 6.1874 6.1874 6.4683 6.4683 15.6047 15.6047 16.1436 16.1436 16.5323 16.5323 16.7788 16.7788 k = 0.0000 0.3353 0.2209 ( 2050 PWs) bands (ev): -14.1835 -14.1835 -13.7851 -13.7851 -10.3498 -10.3498 -9.7551 -9.7551 -0.6814 -0.6814 -0.6561 -0.6561 1.2246 1.2246 2.2435 2.2435 4.1435 4.1435 4.1877 4.1877 4.5735 4.5735 4.8670 4.8670 5.5492 5.5492 5.7397 5.7397 6.1642 6.1642 6.4143 6.4143 15.6577 15.6577 16.1484 16.1484 16.5751 16.5751 16.7938 16.7938 k = 0.0000 0.3353 0.2297 ( 2054 PWs) bands (ev): -14.1633 -14.1633 -13.8070 -13.8070 -10.3211 -10.3211 -9.7896 -9.7896 -0.6676 -0.6676 -0.6444 -0.6444 1.2694 1.2694 2.1822 2.1822 4.1731 4.1731 4.2075 4.2075 4.5522 4.5522 4.8246 4.8246 5.5909 5.5909 5.7611 5.7611 6.1406 6.1406 6.3605 6.3605 15.7095 15.7095 16.1505 16.1505 16.6151 16.6151 16.8070 16.8070 k = 0.0000 0.3353 0.2386 ( 2054 PWs) bands (ev): -14.1426 -14.1426 -13.8292 -13.8292 -10.2916 -10.2916 -9.8242 -9.8242 -0.6548 -0.6548 -0.6340 -0.6340 1.3162 1.3162 2.1204 2.1204 4.2046 4.2046 4.2280 4.2280 4.5307 4.5307 4.7815 4.7815 5.6333 5.6333 5.7830 5.7830 6.1168 6.1168 6.3072 6.3072 15.7598 15.7598 16.1495 16.1495 16.6523 16.6523 16.8181 16.8181 k = 0.0000 0.3353 0.2474 ( 2054 PWs) bands (ev): -14.1215 -14.1215 -13.8517 -13.8517 -10.2614 -10.2614 -9.8590 -9.8590 -0.6433 -0.6433 -0.6251 -0.6251 1.3649 1.3649 2.0584 2.0584 4.2370 4.2370 4.2500 4.2500 4.5089 4.5089 4.7379 4.7379 5.6764 5.6764 5.8053 5.8053 6.0927 6.0927 6.2545 6.2545 15.8083 15.8083 16.1453 16.1453 16.6863 16.6863 16.8268 16.8268 k = 0.0000 0.3353 0.2562 ( 2050 PWs) bands (ev): -14.1000 -14.1000 -13.8743 -13.8743 -10.2304 -10.2304 -9.8939 -9.8939 -0.6332 -0.6332 -0.6177 -0.6177 1.4155 1.4155 1.9963 1.9963 4.2651 4.2651 4.2784 4.2784 4.4869 4.4869 4.6941 4.6941 5.7202 5.7202 5.8281 5.8281 6.0684 6.0684 6.2024 6.2024 15.8545 15.8545 16.1376 16.1376 16.7170 16.7170 16.8330 16.8330 k = 0.0000 0.3353 0.2651 ( 2052 PWs) bands (ev): -14.0782 -14.0782 -13.8971 -13.8971 -10.1988 -10.1988 -9.9288 -9.9288 -0.6245 -0.6245 -0.6118 -0.6118 1.4678 1.4678 1.9344 1.9344 4.2879 4.2879 4.3141 4.3141 4.4648 4.4648 4.6500 4.6500 5.7647 5.7647 5.8513 5.8513 6.0440 6.0440 6.1509 6.1509 15.8982 15.8982 16.1262 16.1262 16.7443 16.7443 16.8363 16.8363 k = 0.0000 0.3353 0.2739 ( 2056 PWs) bands (ev): -14.0562 -14.0562 -13.9199 -13.9199 -10.1665 -10.1665 -9.9636 -9.9636 -0.6172 -0.6172 -0.6076 -0.6076 1.5218 1.5218 1.8729 1.8729 4.3098 4.3098 4.3524 4.3524 4.4427 4.4427 4.6060 4.6060 5.8099 5.8099 5.8748 5.8748 6.0196 6.0196 6.1002 6.1002 15.9390 15.9390 16.1109 16.1109 16.7680 16.7680 16.8366 16.8366 k = 0.0000 0.3353 0.2827 ( 2060 PWs) bands (ev): -14.0338 -14.0338 -13.9429 -13.9429 -10.1337 -10.1337 -9.9982 -9.9982 -0.6116 -0.6116 -0.6051 -0.6051 1.5773 1.5773 1.8119 1.8119 4.3317 4.3317 4.3919 4.3919 4.4208 4.4208 4.5622 4.5622 5.8557 5.8557 5.8987 5.8987 5.9951 5.9951 6.0504 6.0504 15.9767 15.9767 16.0917 16.0917 16.7882 16.7882 16.8337 16.8337 k = 0.0000 0.3353 0.2916 ( 2064 PWs) bands (ev): -14.0113 -14.0113 -13.9658 -13.9658 -10.1005 -10.1005 -10.0326 -10.0326 -0.6075 -0.6075 -0.6043 -0.6043 1.6343 1.6343 1.7517 1.7517 4.3536 4.3536 4.3975 4.3975 4.4341 4.4341 4.5187 4.5187 5.9014 5.9014 5.9231 5.9231 5.9707 5.9707 6.0019 6.0019 16.0110 16.0110 16.0687 16.0687 16.8048 16.8048 16.8275 16.8275 k = 0.0000 0.3353 0.3004 ( 2068 PWs) bands (ev): -13.9886 -13.9886 -13.9886 -13.9886 -10.0667 -10.0667 -10.0667 -10.0667 -0.6051 -0.6051 -0.6051 -0.6051 1.6924 1.6924 1.6924 1.6924 4.3756 4.3756 4.3756 4.3756 4.4759 4.4759 4.4759 4.4759 5.9391 5.9391 5.9391 5.9391 5.9589 5.9589 5.9589 5.9589 16.0417 16.0417 16.0417 16.0417 16.8179 16.8179 16.8179 16.8179 k = 0.5000-0.0000 0.3004 ( 2068 PWs) bands (ev): -13.6344 -13.6344 -13.6342 -13.6342 -9.2916 -9.2916 -9.2911 -9.2911 -0.4943 -0.4943 -0.4893 -0.4893 0.7095 0.7095 0.7185 0.7185 2.6033 2.6033 2.6041 2.6041 3.4477 3.4477 3.4521 3.4521 5.1147 5.1147 5.1268 5.1268 6.5019 6.5019 6.5105 6.5105 16.5031 16.5031 16.5076 16.5076 17.3336 17.3336 17.3424 17.3424 k = 0.5000-0.0000 0.2916 ( 2072 PWs) bands (ev): -13.6345 -13.6345 -13.6343 -13.6342 -9.2916 -9.2916 -9.2911 -9.2910 -0.4939 -0.4938 -0.4889 -0.4889 0.7098 0.7100 0.7189 0.7190 2.6042 2.6045 2.6050 2.6054 3.4460 3.4461 3.4504 3.4505 5.1142 5.1144 5.1264 5.1264 6.5003 6.5005 6.5089 6.5090 16.5054 16.5054 16.5099 16.5100 17.3359 17.3362 17.3448 17.3449 k = 0.5000-0.0000 0.2827 ( 2072 PWs) bands (ev): -13.6346 -13.6346 -13.6344 -13.6343 -9.2915 -9.2914 -9.2910 -9.2909 -0.4927 -0.4925 -0.4877 -0.4877 0.7109 0.7113 0.7202 0.7202 2.6074 2.6079 2.6082 2.6088 3.4411 3.4413 3.4456 3.4458 5.1128 5.1132 5.1251 5.1251 6.4958 6.4962 6.5045 6.5047 16.5122 16.5123 16.5168 16.5168 17.3432 17.3437 17.3521 17.3523 k = 0.5000-0.0000 0.2739 ( 2072 PWs) bands (ev): -13.6348 -13.6348 -13.6346 -13.6345 -9.2914 -9.2912 -9.2909 -9.2907 -0.4907 -0.4904 -0.4856 -0.4856 0.7129 0.7135 0.7222 0.7222 2.6127 2.6134 2.6135 2.6144 3.4331 3.4334 3.4376 3.4379 5.1105 5.1111 5.1229 5.1230 6.4885 6.4890 6.4972 6.4975 16.5235 16.5237 16.5282 16.5282 17.3554 17.3561 17.3643 17.3646 k = 0.5000-0.0000 0.2651 ( 2072 PWs) bands (ev): -13.6351 -13.6350 -13.6349 -13.6348 -9.2912 -9.2910 -9.2907 -9.2905 -0.4878 -0.4874 -0.4827 -0.4827 0.7157 0.7165 0.7251 0.7252 2.6201 2.6208 2.6212 2.6221 3.4220 3.4225 3.4265 3.4269 5.1074 5.1082 5.1198 5.1199 6.4784 6.4790 6.4871 6.4875 16.5391 16.5393 16.5438 16.5439 17.3724 17.3735 17.3814 17.3817 k = 0.5000-0.0000 0.2562 ( 2068 PWs) bands (ev): -13.6354 -13.6353 -13.6352 -13.6351 -9.2909 -9.2907 -9.2904 -9.2901 -0.4841 -0.4836 -0.4790 -0.4790 0.7195 0.7204 0.7289 0.7289 2.6296 2.6301 2.6309 2.6319 3.4079 3.4086 3.4124 3.4130 5.1032 5.1043 5.1158 5.1158 6.4656 6.4664 6.4744 6.4748 16.5588 16.5591 16.5636 16.5638 17.3944 17.3957 17.4032 17.4037 k = 0.5000-0.0000 0.2474 ( 2072 PWs) bands (ev): -13.6358 -13.6357 -13.6356 -13.6355 -9.2906 -9.2903 -9.2901 -9.2898 -0.4797 -0.4792 -0.4746 -0.4746 0.7241 0.7252 0.7336 0.7336 2.6409 2.6414 2.6426 2.6436 3.3910 3.3919 3.3955 3.3963 5.0981 5.0993 5.1108 5.1108 6.4503 6.4512 6.4591 6.4596 16.5824 16.5828 16.5873 16.5875 17.4211 17.4227 17.4299 17.4305 k = 0.5000-0.0000 0.2386 ( 2068 PWs) bands (ev): -13.6363 -13.6362 -13.6361 -13.6359 -9.2902 -9.2899 -9.2898 -9.2893 -0.4746 -0.4739 -0.4695 -0.4694 0.7296 0.7309 0.7391 0.7392 2.6541 2.6544 2.6561 2.6570 3.3716 3.3726 3.3761 3.3771 5.0919 5.0933 5.1046 5.1046 6.4327 6.4337 6.4415 6.4421 16.6095 16.6099 16.6145 16.6147 17.4526 17.4544 17.4613 17.4620 k = 0.5000-0.0000 0.2297 ( 2066 PWs) bands (ev): -13.6368 -13.6367 -13.6366 -13.6364 -9.2898 -9.2894 -9.2893 -9.2889 -0.4689 -0.4681 -0.4637 -0.4637 0.7362 0.7376 0.7457 0.7458 2.6688 2.6689 2.6712 2.6721 3.3498 3.3511 3.3543 3.3556 5.0846 5.0862 5.0973 5.0973 6.4130 6.4141 6.4218 6.4225 16.6398 16.6403 16.6449 16.6452 17.4888 17.4908 17.4973 17.4982 k = 0.5000-0.0000 0.2209 ( 2074 PWs) bands (ev): -13.6374 -13.6373 -13.6372 -13.6370 -9.2893 -9.2889 -9.2888 -9.2883 -0.4625 -0.4617 -0.4574 -0.4574 0.7437 0.7453 0.7532 0.7534 2.6847 2.6847 2.6876 2.6885 3.3260 3.3276 3.3304 3.3322 5.0760 5.0778 5.0888 5.0888 6.3914 6.3926 6.4002 6.4010 16.6728 16.6734 16.6780 16.6784 17.5296 17.5318 17.5378 17.5389 k = 0.5000-0.0000 0.2121 ( 2074 PWs) bands (ev): -13.6381 -13.6379 -13.6379 -13.6377 -9.2888 -9.2884 -9.2883 -9.2878 -0.4557 -0.4548 -0.4506 -0.4505 0.7523 0.7541 0.7618 0.7620 2.7015 2.7016 2.7050 2.7059 3.3007 3.3026 3.3051 3.3073 5.0661 5.0681 5.0788 5.0789 6.3682 6.3696 6.3770 6.3778 16.7082 16.7089 16.7135 16.7139 17.5749 17.5773 17.5828 17.5841 k = 0.5000-0.0000 0.2032 ( 2074 PWs) bands (ev): -13.6388 -13.6386 -13.6386 -13.6384 -9.2882 -9.2878 -9.2877 -9.2872 -0.4484 -0.4474 -0.4433 -0.4432 0.7620 0.7639 0.7714 0.7717 2.7186 2.7189 2.7230 2.7239 3.2744 3.2768 3.2788 3.2816 5.0548 5.0569 5.0675 5.0676 6.3437 6.3452 6.3525 6.3534 16.7454 16.7462 16.7509 16.7513 17.6246 17.6271 17.6322 17.6337 k = 0.5000-0.0000 0.1944 ( 2078 PWs) bands (ev): -13.6395 -13.6393 -13.6393 -13.6391 -9.2876 -9.2872 -9.2870 -9.2865 -0.4407 -0.4396 -0.4357 -0.4356 0.7728 0.7749 0.7822 0.7825 2.7354 2.7360 2.7407 2.7416 3.2480 3.2510 3.2523 3.2559 5.0419 5.0441 5.0545 5.0547 6.3182 6.3198 6.3270 6.3279 16.7840 16.7849 16.7896 16.7901 17.6784 17.6811 17.6857 17.6874 k = 0.5000-0.0000 0.1855 ( 2068 PWs) bands (ev): -13.6402 -13.6401 -13.6400 -13.6398 -9.2870 -9.2866 -9.2863 -9.2859 -0.4326 -0.4315 -0.4277 -0.4276 0.7848 0.7871 0.7941 0.7945 2.7510 2.7517 2.7573 2.7583 3.2226 3.2262 3.2267 3.2312 5.0274 5.0298 5.0398 5.0401 6.2920 6.2937 6.3007 6.3017 16.8235 16.8246 16.8292 16.8298 17.7363 17.7391 17.7432 17.7452 k = 0.5000-0.0000 0.1767 ( 2064 PWs) bands (ev): -13.6410 -13.6408 -13.6408 -13.6406 -9.2863 -9.2859 -9.2856 -9.2852 -0.4244 -0.4232 -0.4195 -0.4194 0.7979 0.8004 0.8072 0.8076 2.7640 2.7649 2.7714 2.7726 3.1996 3.2034 3.2039 3.2090 5.0111 5.0136 5.0233 5.0238 6.2655 6.2672 6.2741 6.2751 16.8635 16.8646 16.8692 16.8700 17.7980 17.8009 17.8045 17.8067 k = 0.5000-0.0000 0.1679 ( 2060 PWs) bands (ev): -13.6418 -13.6416 -13.6415 -13.6413 -9.2857 -9.2853 -9.2849 -9.2845 -0.4160 -0.4147 -0.4113 -0.4111 0.8122 0.8149 0.8214 0.8219 2.7729 2.7738 2.7813 2.7827 3.1808 3.1843 3.1859 3.1910 4.9929 4.9955 5.0049 5.0055 6.2390 6.2407 6.2474 6.2484 16.9034 16.9047 16.9092 16.9100 17.8631 17.8661 17.8692 17.8717 k = 0.5000-0.0000 0.1590 ( 2060 PWs) bands (ev): -13.6426 -13.6425 -13.6423 -13.6422 -9.2850 -9.2846 -9.2842 -9.2837 -0.4075 -0.4062 -0.4029 -0.4027 0.8278 0.8305 0.8368 0.8374 2.7757 2.7767 2.7850 2.7868 3.1684 3.1714 3.1743 3.1792 4.9728 4.9755 4.9845 4.9852 6.2127 6.2144 6.2209 6.2219 16.9429 16.9442 16.9487 16.9496 17.9313 17.9344 17.9370 17.9397 k = 0.5000-0.0000 0.1502 ( 2062 PWs) bands (ev): -13.6435 -13.6433 -13.6432 -13.6430 -9.2843 -9.2839 -9.2834 -9.2830 -0.3991 -0.3978 -0.3947 -0.3944 0.8445 0.8474 0.8533 0.8541 2.7710 2.7718 2.7809 2.7830 3.1641 3.1667 3.1706 3.1752 4.9506 4.9534 4.9620 4.9628 6.1869 6.1887 6.1950 6.1959 16.9815 16.9830 16.9874 16.9883 18.0021 18.0053 18.0073 18.0103 k = 0.5000-0.0000 0.1414 ( 2062 PWs) bands (ev): -13.6443 -13.6442 -13.6440 -13.6438 -9.2836 -9.2833 -9.2827 -9.2823 -0.3908 -0.3894 -0.3865 -0.3862 0.8623 0.8654 0.8709 0.8718 2.7581 2.7587 2.7682 2.7707 3.1690 3.1709 3.1756 3.1799 4.9264 4.9293 4.9374 4.9384 6.1621 6.1638 6.1698 6.1708 17.0190 17.0205 17.0248 17.0257 18.0748 18.0781 18.0796 18.0827 k = 0.5000-0.0000 0.1325 ( 2052 PWs) bands (ev): -13.6451 -13.6449 -13.6448 -13.6446 -9.2829 -9.2826 -9.2820 -9.2816 -0.3826 -0.3811 -0.3785 -0.3781 0.8812 0.8845 0.8896 0.8907 2.7376 2.7378 2.7475 2.7504 3.1824 3.1839 3.1890 3.1928 4.9002 4.9032 4.9108 4.9120 6.1383 6.1399 6.1457 6.1466 17.0550 17.0566 17.0608 17.0617 18.1486 18.1519 18.1529 18.1563 k = 0.5000-0.0000 0.1237 ( 2054 PWs) bands (ev): -13.6459 -13.6458 -13.6456 -13.6454 -9.2822 -9.2819 -9.2813 -9.2809 -0.3747 -0.3732 -0.3707 -0.3703 0.9011 0.9045 0.9092 0.9105 2.7106 2.7108 2.7202 2.7233 3.2031 3.2041 3.2095 3.2127 4.8720 4.8750 4.8821 4.8835 6.1157 6.1174 6.1228 6.1237 17.0893 17.0909 17.0949 17.0958 18.2223 18.2257 18.2262 18.2296 k = 0.5000-0.0000 0.1149 ( 2054 PWs) bands (ev): -13.6467 -13.6466 -13.6463 -13.6462 -9.2816 -9.2813 -9.2806 -9.2802 -0.3670 -0.3655 -0.3633 -0.3628 0.9218 0.9254 0.9297 0.9312 2.6787 2.6792 2.6882 2.6915 3.2294 3.2301 3.2355 3.2382 4.8420 4.8451 4.8516 4.8532 6.0947 6.0963 6.1014 6.1022 17.1216 17.1233 17.1271 17.1280 18.2942 18.2976 18.2976 18.3011 k = 0.5000-0.0000 0.1060 ( 2056 PWs) bands (ev): -13.6474 -13.6473 -13.6471 -13.6469 -9.2809 -9.2807 -9.2799 -9.2796 -0.3598 -0.3583 -0.3563 -0.3557 0.9433 0.9471 0.9508 0.9525 2.6436 2.6443 2.6530 2.6564 3.2598 3.2602 3.2656 3.2679 4.8105 4.8136 4.8195 4.8213 6.0752 6.0767 6.0815 6.0823 17.1519 17.1536 17.1572 17.1580 18.3622 18.3651 18.3655 18.3683 k = 0.5000-0.0000 0.0972 ( 2056 PWs) bands (ev): -13.6482 -13.6481 -13.6478 -13.6477 -9.2803 -9.2801 -9.2793 -9.2790 -0.3529 -0.3514 -0.3497 -0.3491 0.9652 0.9692 0.9724 0.9743 2.6067 2.6077 2.6160 2.6195 3.2931 3.2932 3.2986 3.3005 4.7776 4.7808 4.7860 4.7880 6.0574 6.0588 6.0633 6.0639 17.1799 17.1816 17.1850 17.1858 18.4237 18.4259 18.4267 18.4287 k = 0.5000-0.0000 0.0884 ( 2056 PWs) bands (ev): -13.6488 -13.6487 -13.6485 -13.6483 -9.2798 -9.2795 -9.2787 -9.2784 -0.3465 -0.3450 -0.3435 -0.3429 0.9874 0.9915 0.9941 0.9963 2.5691 2.5702 2.5784 2.5818 3.3280 3.3281 3.3334 3.3351 4.7437 4.7470 4.7514 4.7537 6.0413 6.0427 6.0467 6.0473 17.2057 17.2074 17.2105 17.2112 18.4768 18.4784 18.4793 18.4806 k = 0.5000-0.0000 0.0795 ( 2056 PWs) bands (ev): -13.6495 -13.6494 -13.6491 -13.6490 -9.2792 -9.2790 -9.2781 -9.2779 -0.3406 -0.3391 -0.3379 -0.3372 1.0095 1.0138 1.0158 1.0183 2.5317 2.5329 2.5411 2.5444 3.3638 3.3640 3.3693 3.3706 4.7093 4.7127 4.7164 4.7189 6.0269 6.0282 6.0319 6.0324 17.2291 17.2307 17.2336 17.2342 18.5217 18.5227 18.5237 18.5243 k = 0.5000-0.0000 0.0707 ( 2064 PWs) bands (ev): -13.6501 -13.6500 -13.6497 -13.6496 -9.2787 -9.2786 -9.2776 -9.2774 -0.3353 -0.3338 -0.3328 -0.3321 1.0312 1.0357 1.0370 1.0398 2.4955 2.4967 2.5050 2.5081 3.3997 3.4000 3.4052 3.4062 4.6749 4.6784 4.6813 4.6841 6.0143 6.0155 6.0188 6.0191 17.2501 17.2517 17.2543 17.2548 18.5596 18.5602 18.5611 18.5614 k = 0.5000-0.0000 0.0618 ( 2064 PWs) bands (ev): -13.6506 -13.6505 -13.6502 -13.6501 -9.2783 -9.2781 -9.2771 -9.2770 -0.3305 -0.3290 -0.3283 -0.3275 1.0521 1.0568 1.0574 1.0605 2.4611 2.4623 2.4707 2.4736 3.4348 3.4352 3.4404 3.4412 4.6412 4.6449 4.6469 4.6500 6.0033 6.0044 6.0073 6.0076 17.2687 17.2702 17.2725 17.2729 18.5919 18.5922 18.5931 18.5932 k = 0.5000-0.0000 0.0530 ( 2060 PWs) bands (ev): -13.6510 -13.6510 -13.6506 -13.6506 -9.2779 -9.2778 -9.2767 -9.2766 -0.3263 -0.3248 -0.3244 -0.3235 1.0718 1.0765 1.0767 1.0799 2.4293 2.4305 2.4392 2.4418 3.4683 3.4688 3.4740 3.4746 4.6091 4.6128 4.6140 4.6173 5.9940 5.9951 5.9975 5.9977 17.2849 17.2863 17.2883 17.2885 18.6195 18.6197 18.6204 18.6205 k = 0.5000-0.0000 0.0442 ( 2064 PWs) bands (ev): -13.6515 -13.6514 -13.6510 -13.6510 -9.2776 -9.2775 -9.2764 -9.2762 -0.3227 -0.3212 -0.3211 -0.3201 1.0897 1.0938 1.0947 1.0975 2.4009 2.4019 2.4109 2.4133 3.4993 3.4998 3.5051 3.5055 4.5792 4.5832 4.5834 4.5870 5.9863 5.9873 5.9893 5.9894 17.2987 17.3000 17.3016 17.3017 18.6429 18.6429 18.6436 18.6437 k = 0.5000-0.0000 0.0353 ( 2068 PWs) bands (ev): -13.6518 -13.6518 -13.6514 -13.6513 -9.2773 -9.2772 -9.2761 -9.2760 -0.3197 -0.3184 -0.3183 -0.3174 1.1054 1.1087 1.1105 1.1128 2.3765 2.3774 2.3868 2.3887 3.5267 3.5272 3.5327 3.5329 4.5528 4.5562 4.5568 4.5600 5.9801 5.9810 5.9826 5.9826 17.3099 17.3111 17.3124 17.3125 18.6621 18.6621 18.6627 18.6629 k = 0.5000-0.0000 0.0265 ( 2064 PWs) bands (ev): -13.6520 -13.6520 -13.6516 -13.6516 -9.2770 -9.2770 -9.2758 -9.2758 -0.3173 -0.3163 -0.3159 -0.3152 1.1184 1.1209 1.1235 1.1253 2.3567 2.3575 2.3673 2.3688 3.5496 3.5501 3.5557 3.5558 4.5307 4.5333 4.5349 4.5373 5.9755 5.9762 5.9773 5.9774 17.3188 17.3199 17.3207 17.3209 18.6772 18.6772 18.6777 18.6779 k = 0.5000-0.0000 0.0177 ( 2064 PWs) bands (ev): -13.6522 -13.6522 -13.6518 -13.6518 -9.2769 -9.2768 -9.2757 -9.2756 -0.3155 -0.3149 -0.3142 -0.3137 1.1281 1.1298 1.1333 1.1345 2.3422 2.3427 2.3530 2.3540 3.5669 3.5672 3.5730 3.5731 4.5142 4.5159 4.5185 4.5201 5.9723 5.9729 5.9735 5.9737 17.3252 17.3261 17.3265 17.3268 18.6880 18.6880 18.6885 18.6887 k = 0.5000-0.0000 0.0088 ( 2068 PWs) bands (ev): -13.6523 -13.6523 -13.6519 -13.6519 -9.2768 -9.2768 -9.2756 -9.2755 -0.3144 -0.3141 -0.3131 -0.3129 1.1343 1.1352 1.1395 1.1401 2.3334 2.3337 2.3443 2.3449 3.5777 3.5779 3.5839 3.5839 4.5040 4.5049 4.5083 4.5092 5.9705 5.9710 5.9711 5.9714 17.3292 17.3298 17.3300 17.3303 18.6946 18.6946 18.6951 18.6952 k = 0.5000-0.0000-0.0000 ( 2068 PWs) bands (ev): -13.6524 -13.6524 -13.6519 -13.6519 -9.2767 -9.2767 -9.2755 -9.2755 -0.3139 -0.3139 -0.3127 -0.3127 1.1367 1.1367 1.1418 1.1418 2.3305 2.3305 2.3416 2.3416 3.5815 3.5815 3.5876 3.5876 4.5008 4.5008 4.5052 4.5052 5.9701 5.9701 5.9705 5.9705 17.3307 17.3307 17.3314 17.3314 18.6968 18.6968 18.6973 18.6973 k = 0.5000 0.3353-0.0000 ( 2044 PWs) bands (ev): -13.5851 -13.5851 -13.5847 -13.5847 -9.4023 -9.4023 -9.4010 -9.4010 -0.2931 -0.2931 -0.2914 -0.2914 1.1816 1.1816 1.1817 1.1817 1.8820 1.8820 1.8869 1.8869 3.3872 3.3872 3.3992 3.3992 4.9842 4.9842 4.9956 4.9956 6.3819 6.3819 6.3868 6.3868 17.4971 17.4971 17.5042 17.5042 18.3462 18.3462 18.3537 18.3537 k = 0.5000 0.3353 0.0088 ( 2044 PWs) bands (ev): -13.5851 -13.5851 -13.5847 -13.5847 -9.4023 -9.4022 -9.4010 -9.4010 -0.2936 -0.2936 -0.2921 -0.2919 1.1748 1.1750 1.1753 1.1754 1.8890 1.8894 1.8938 1.8941 3.3875 3.3877 3.3996 3.3996 4.9848 4.9851 4.9963 4.9964 6.3818 6.3822 6.3868 6.3871 17.4923 17.4925 17.4989 17.5001 18.3457 18.3466 18.3535 18.3536 k = 0.5000 0.3353 0.0177 ( 2044 PWs) bands (ev): -13.5850 -13.5850 -13.5846 -13.5846 -9.4022 -9.4021 -9.4009 -9.4008 -0.2954 -0.2954 -0.2940 -0.2935 1.1558 1.1560 1.1567 1.1568 1.9094 1.9102 1.9142 1.9147 3.3885 3.3889 3.4007 3.4008 4.9870 4.9876 4.9986 4.9987 6.3820 6.3828 6.3870 6.3877 17.4785 17.4789 17.4845 17.4867 18.3449 18.3467 18.3528 18.3529 k = 0.5000 0.3353 0.0265 ( 2056 PWs) bands (ev): -13.5849 -13.5849 -13.5846 -13.5845 -9.4020 -9.4019 -9.4007 -9.4006 -0.2983 -0.2983 -0.2970 -0.2963 1.1266 1.1267 1.1276 1.1281 1.9412 1.9425 1.9460 1.9466 3.3904 3.3910 3.4026 3.4027 4.9906 4.9916 5.0023 5.0024 6.3825 6.3836 6.3875 6.3884 17.4561 17.4568 17.4614 17.4645 18.3433 18.3459 18.3510 18.3512 k = 0.5000 0.3353 0.0353 ( 2060 PWs) bands (ev): -13.5848 -13.5848 -13.5844 -13.5844 -9.4017 -9.4016 -9.4005 -9.4003 -0.3022 -0.3022 -0.3011 -0.3001 1.0896 1.0896 1.0907 1.0914 1.9821 1.9836 1.9867 1.9874 3.3931 3.3939 3.4054 3.4054 4.9956 4.9969 5.0074 5.0076 6.3833 6.3848 6.3883 6.3896 17.4260 17.4269 17.4305 17.4345 18.3403 18.3435 18.3477 18.3480 k = 0.5000 0.3353 0.0442 ( 2072 PWs) bands (ev): -13.5847 -13.5846 -13.5843 -13.5842 -9.4014 -9.4012 -9.4002 -9.4000 -0.3073 -0.3073 -0.3063 -0.3051 1.0469 1.0470 1.0482 1.0490 2.0295 2.0313 2.0341 2.0347 3.3968 3.3977 3.4090 3.4091 5.0019 5.0036 5.0137 5.0140 6.3843 6.3863 6.3894 6.3910 17.3891 17.3902 17.3928 17.3976 18.3350 18.3388 18.3420 18.3423 k = 0.5000 0.3353 0.0530 ( 2072 PWs) bands (ev): -13.5844 -13.5844 -13.5840 -13.5840 -9.4009 -9.4008 -9.3997 -9.3995 -0.3133 -0.3133 -0.3124 -0.3110 1.0004 1.0006 1.0018 1.0029 2.0817 2.0836 2.0861 2.0866 3.4014 3.4025 3.4137 3.4137 5.0094 5.0113 5.0212 5.0216 6.3858 6.3882 6.3908 6.3928 17.3464 17.3477 17.3495 17.3549 18.3268 18.3310 18.3332 18.3335 k = 0.5000 0.3353 0.0618 ( 2072 PWs) bands (ev): -13.5841 -13.5841 -13.5838 -13.5837 -9.4004 -9.4002 -9.3993 -9.3990 -0.3203 -0.3202 -0.3195 -0.3179 0.9516 0.9519 0.9531 0.9543 2.1369 2.1390 2.1413 2.1416 3.4072 3.4084 3.4194 3.4196 5.0177 5.0201 5.0295 5.0301 6.3877 6.3905 6.3927 6.3950 17.2990 17.3004 17.3014 17.3073 18.3150 18.3195 18.3208 18.3211 k = 0.5000 0.3353 0.0707 ( 2068 PWs) bands (ev): -13.5838 -13.5837 -13.5834 -13.5834 -9.3999 -9.3997 -9.3987 -9.3984 -0.3280 -0.3280 -0.3274 -0.3256 0.9015 0.9018 0.9030 0.9044 2.1941 2.1963 2.1985 2.1985 3.4144 3.4156 3.4264 3.4267 5.0268 5.0296 5.0386 5.0393 6.3901 6.3932 6.3950 6.3977 17.2476 17.2493 17.2494 17.2558 18.2991 18.3039 18.3043 18.3046 k = 0.5000 0.3353 0.0795 ( 2068 PWs) bands (ev): -13.5834 -13.5834 -13.5831 -13.5830 -9.3993 -9.3990 -9.3981 -9.3978 -0.3366 -0.3365 -0.3360 -0.3341 0.8508 0.8511 0.8523 0.8538 2.2522 2.2545 2.2563 2.2566 3.4229 3.4242 3.4348 3.4353 5.0364 5.0395 5.0482 5.0490 6.3929 6.3965 6.3978 6.4008 17.1932 17.1945 17.1951 17.2012 18.2791 18.2836 18.2839 18.2839 k = 0.5000 0.3353 0.0884 ( 2080 PWs) bands (ev): -13.5831 -13.5830 -13.5828 -13.5827 -9.3986 -9.3983 -9.3975 -9.3971 -0.3459 -0.3458 -0.3455 -0.3433 0.8002 0.8004 0.8015 0.8032 2.3104 2.3129 2.3142 2.3148 3.4331 3.4344 3.4448 3.4456 5.0462 5.0497 5.0579 5.0590 6.3963 6.4003 6.4012 6.4045 17.1365 17.1374 17.1386 17.1443 18.2547 18.2587 18.2589 18.2595 k = 0.5000 0.3353 0.0972 ( 2080 PWs) bands (ev): -13.5827 -13.5826 -13.5824 -13.5822 -9.3978 -9.3975 -9.3968 -9.3964 -0.3558 -0.3556 -0.3554 -0.3531 0.7499 0.7501 0.7513 0.7530 2.3680 2.3707 2.3716 2.3726 3.4451 3.4465 3.4565 3.4577 5.0560 5.0600 5.0676 5.0689 6.4003 6.4047 6.4051 6.4088 17.0782 17.0787 17.0805 17.0859 18.2262 18.2296 18.2298 18.2310 k = 0.5000 0.3353 0.1060 ( 2076 PWs) bands (ev): -13.5822 -13.5821 -13.5819 -13.5818 -9.3971 -9.3967 -9.3960 -9.3956 -0.3661 -0.3660 -0.3659 -0.3634 0.7004 0.7006 0.7017 0.7035 2.4245 2.4273 2.4277 2.4292 3.4592 3.4605 3.4703 3.4718 5.0655 5.0699 5.0771 5.0786 6.4050 6.4097 6.4098 6.4137 17.0189 17.0192 17.0214 17.0264 18.1938 18.1968 18.1969 18.1987 k = 0.5000 0.3353 0.1149 ( 2076 PWs) bands (ev): -13.5818 -13.5817 -13.5815 -13.5813 -9.3963 -9.3959 -9.3953 -9.3948 -0.3769 -0.3767 -0.3767 -0.3741 0.6520 0.6522 0.6532 0.6551 2.4793 2.4821 2.4822 2.4841 3.4756 3.4768 3.4863 3.4883 5.0744 5.0794 5.0860 5.0878 6.4104 6.4149 6.4156 6.4194 16.9591 16.9592 16.9618 16.9665 18.1580 18.1606 18.1606 18.1628 k = 0.5000 0.3353 0.1237 ( 2088 PWs) bands (ev): -13.5813 -13.5812 -13.5810 -13.5809 -9.3954 -9.3950 -9.3945 -9.3940 -0.3879 -0.3878 -0.3877 -0.3851 0.6048 0.6049 0.6060 0.6079 2.5317 2.5342 2.5349 2.5367 3.4945 3.4954 3.5047 3.5072 5.0826 5.0880 5.0941 5.0962 6.4164 6.4209 6.4221 6.4257 16.8992 16.8994 16.9022 16.9066 18.1193 18.1214 18.1215 18.1239 k = 0.5000 0.3353 0.1325 ( 2084 PWs) bands (ev): -13.5808 -13.5807 -13.5805 -13.5804 -9.3945 -9.3941 -9.3936 -9.3931 -0.3992 -0.3991 -0.3988 -0.3963 0.5592 0.5592 0.5602 0.5621 2.5814 2.5835 2.5848 2.5866 3.5160 3.5168 3.5257 3.5287 5.0897 5.0956 5.1011 5.1036 6.4233 6.4276 6.4293 6.4328 16.8397 16.8402 16.8432 16.8473 18.0780 18.0798 18.0800 18.0826 k = 0.5000 0.3353 0.1414 ( 2088 PWs) bands (ev): -13.5803 -13.5802 -13.5800 -13.5799 -9.3937 -9.3932 -9.3928 -9.3922 -0.4105 -0.4105 -0.4101 -0.4076 0.5150 0.5151 0.5161 0.5180 2.6280 2.6298 2.6317 2.6334 3.5403 3.5408 3.5494 3.5531 5.0956 5.1020 5.1069 5.1097 6.4309 6.4351 6.4372 6.4406 16.7812 16.7817 16.7849 16.7887 18.0349 18.0363 18.0367 18.0394 k = 0.5000 0.3353 0.1502 ( 2092 PWs) bands (ev): -13.5798 -13.5797 -13.5796 -13.5794 -9.3928 -9.3923 -9.3919 -9.3913 -0.4219 -0.4218 -0.4213 -0.4188 0.4726 0.4727 0.4736 0.4756 2.6711 2.6726 2.6751 2.6768 3.5675 3.5677 3.5759 3.5802 5.1001 5.1069 5.1112 5.1144 6.4392 6.4432 6.4459 6.4491 16.7239 16.7245 16.7279 16.7314 17.9905 17.9916 17.9921 17.9949 k = 0.5000 0.3353 0.1590 ( 2084 PWs) bands (ev): -13.5793 -13.5792 -13.5790 -13.5789 -9.3919 -9.3914 -9.3911 -9.3905 -0.4331 -0.4330 -0.4324 -0.4300 0.4321 0.4323 0.4330 0.4350 2.7106 2.7118 2.7148 2.7166 3.5973 3.5975 3.6052 3.6101 5.1029 5.1103 5.1139 5.1175 6.4482 6.4520 6.4552 6.4583 16.6681 16.6689 16.6724 16.6757 17.9453 17.9461 17.9467 17.9496 k = 0.5000 0.3353 0.1679 ( 2076 PWs) bands (ev): -13.5787 -13.5786 -13.5785 -13.5783 -9.3910 -9.3904 -9.3902 -9.3896 -0.4441 -0.4439 -0.4433 -0.4409 0.3935 0.3937 0.3944 0.3964 2.7463 2.7472 2.7508 2.7526 3.6295 3.6301 3.6371 3.6426 5.1041 5.1119 5.1149 5.1189 6.4577 6.4614 6.4651 6.4680 16.6143 16.6151 16.6188 16.6218 17.8999 17.9005 17.9012 17.9041 k = 0.5000 0.3353 0.1767 ( 2076 PWs) bands (ev): -13.5782 -13.5781 -13.5780 -13.5778 -9.3901 -9.3895 -9.3894 -9.3887 -0.4548 -0.4546 -0.4539 -0.4516 0.3570 0.3573 0.3579 0.3598 2.7783 2.7789 2.7830 2.7848 3.6641 3.6650 3.6713 3.6774 5.1035 5.1118 5.1141 5.1185 6.4678 6.4713 6.4755 6.4782 16.5626 16.5634 16.5673 16.5701 17.8548 17.8552 17.8561 17.8588 k = 0.5000 0.3353 0.1855 ( 2076 PWs) bands (ev): -13.5778 -13.5776 -13.5776 -13.5774 -9.3892 -9.3887 -9.3886 -9.3879 -0.4651 -0.4649 -0.4641 -0.4619 0.3226 0.3230 0.3234 0.3254 2.8066 2.8070 2.8116 2.8133 3.7005 3.7020 3.7074 3.7141 5.1011 5.1099 5.1114 5.1164 6.4783 6.4815 6.4863 6.4888 16.5133 16.5142 16.5182 16.5208 17.8105 17.8108 17.8118 17.8144 k = 0.5000 0.3353 0.1944 ( 2080 PWs) bands (ev): -13.5773 -13.5772 -13.5771 -13.5769 -9.3884 -9.3878 -9.3878 -9.3871 -0.4750 -0.4747 -0.4738 -0.4718 0.2904 0.2910 0.2913 0.2932 2.8314 2.8317 2.8367 2.8383 3.7384 3.7404 3.7450 3.7521 5.0970 5.1063 5.1071 5.1125 6.4890 6.4920 6.4972 6.4995 16.4667 16.4676 16.4718 16.4741 17.7675 17.7676 17.7687 17.7713 k = 0.5000 0.3353 0.2032 ( 2080 PWs) bands (ev): -13.5768 -13.5767 -13.5767 -13.5765 -9.3876 -9.3870 -9.3870 -9.3863 -0.4843 -0.4840 -0.4830 -0.4811 0.2606 0.2612 0.2614 0.2633 2.8529 2.8532 2.8585 2.8601 3.7772 3.7797 3.7834 3.7910 5.0913 5.1010 5.1010 5.1069 6.4998 6.5026 6.5082 6.5104 16.4230 16.4238 16.4282 16.4303 17.7262 17.7263 17.7275 17.7299 k = 0.5000 0.3353 0.2121 ( 2084 PWs) bands (ev): -13.5764 -13.5763 -13.5763 -13.5761 -9.3868 -9.3863 -9.3862 -9.3856 -0.4931 -0.4928 -0.4916 -0.4898 0.2331 0.2338 0.2338 0.2358 2.8715 2.8717 2.8774 2.8789 3.8162 3.8192 3.8220 3.8301 5.0842 5.0935 5.0943 5.0999 6.5105 6.5131 6.5191 6.5211 16.3824 16.3832 16.3877 16.3896 17.6870 17.6870 17.6884 17.6906 k = 0.5000 0.3353 0.2209 ( 2084 PWs) bands (ev): -13.5760 -13.5759 -13.5759 -13.5757 -9.3861 -9.3857 -9.3855 -9.3849 -0.5011 -0.5008 -0.4996 -0.4979 0.2081 0.2087 0.2089 0.2106 2.8875 2.8875 2.8935 2.8949 3.8548 3.8584 3.8602 3.8686 5.0758 5.0846 5.0863 5.0916 6.5210 6.5233 6.5297 6.5315 16.3451 16.3458 16.3505 16.3522 17.6504 17.6504 17.6518 17.6539 k = 0.5000 0.3353 0.2297 ( 2088 PWs) bands (ev): -13.5757 -13.5756 -13.5755 -13.5754 -9.3855 -9.3851 -9.3848 -9.3843 -0.5085 -0.5082 -0.5068 -0.5053 0.1855 0.1861 0.1864 0.1880 2.9009 2.9010 2.9072 2.9085 3.8922 3.8964 3.8971 3.9060 5.0665 5.0748 5.0775 5.0824 6.5309 6.5330 6.5399 6.5414 16.3112 16.3119 16.3167 16.3182 17.6166 17.6167 17.6182 17.6201 k = 0.5000 0.3353 0.2386 ( 2088 PWs) bands (ev): -13.5754 -13.5753 -13.5752 -13.5751 -9.3849 -9.3845 -9.3842 -9.3838 -0.5151 -0.5148 -0.5133 -0.5119 0.1655 0.1660 0.1664 0.1679 2.9123 2.9123 2.9187 2.9199 3.9277 3.9322 3.9326 3.9414 5.0567 5.0644 5.0680 5.0725 6.5403 6.5421 6.5493 6.5507 16.2810 16.2816 16.2866 16.2879 17.5861 17.5862 17.5878 17.5894 k = 0.5000 0.3353 0.2474 ( 2088 PWs) bands (ev): -13.5751 -13.5750 -13.5749 -13.5748 -9.3844 -9.3840 -9.3837 -9.3833 -0.5208 -0.5206 -0.5189 -0.5178 0.1480 0.1485 0.1491 0.1503 2.9217 2.9217 2.9283 2.9293 3.9607 3.9647 3.9662 3.9741 5.0468 5.0537 5.0584 5.0624 6.5488 6.5504 6.5579 6.5591 16.2545 16.2550 16.2602 16.2613 17.5590 17.5591 17.5608 17.5623 k = 0.5000 0.3353 0.2562 ( 2088 PWs) bands (ev): -13.5748 -13.5747 -13.5746 -13.5745 -9.3839 -9.3836 -9.3832 -9.3829 -0.5258 -0.5256 -0.5238 -0.5228 0.1332 0.1336 0.1343 0.1354 2.9293 2.9293 2.9361 2.9370 3.9903 3.9937 3.9964 4.0033 5.0373 5.0433 5.0492 5.0526 6.5563 6.5576 6.5655 6.5665 16.2319 16.2323 16.2376 16.2386 17.5357 17.5358 17.5376 17.5388 k = 0.5000 0.3353 0.2651 ( 2088 PWs) bands (ev): -13.5746 -13.5745 -13.5744 -13.5743 -9.3835 -9.3833 -9.3828 -9.3826 -0.5298 -0.5297 -0.5277 -0.5269 0.1210 0.1213 0.1222 0.1231 2.9353 2.9353 2.9423 2.9430 4.0158 4.0187 4.0226 4.0283 5.0287 5.0337 5.0407 5.0436 6.5627 6.5638 6.5720 6.5728 16.2133 16.2136 16.2191 16.2198 17.5163 17.5164 17.5184 17.5194 k = 0.5000 0.3353 0.2739 ( 2088 PWs) bands (ev): -13.5744 -13.5744 -13.5742 -13.5742 -9.3832 -9.3831 -9.3825 -9.3823 -0.5330 -0.5329 -0.5308 -0.5302 0.1115 0.1118 0.1128 0.1135 2.9399 2.9399 2.9470 2.9475 4.0366 4.0388 4.0441 4.0485 5.0214 5.0253 5.0336 5.0358 6.5679 6.5687 6.5771 6.5777 16.1987 16.1990 16.2046 16.2051 17.5011 17.5012 17.5033 17.5040 k = 0.5000 0.3353 0.2827 ( 2096 PWs) bands (ev): -13.5743 -13.5743 -13.5741 -13.5741 -9.3830 -9.3829 -9.3823 -9.3821 -0.5353 -0.5352 -0.5330 -0.5326 0.1047 0.1049 0.1061 0.1065 2.9431 2.9431 2.9503 2.9507 4.0520 4.0535 4.0601 4.0631 5.0161 5.0187 5.0282 5.0297 6.5716 6.5722 6.5809 6.5813 16.1882 16.1884 16.1942 16.1945 17.4901 17.4902 17.4924 17.4929 k = 0.5000 0.3353 0.2916 ( 2100 PWs) bands (ev): -13.5743 -13.5742 -13.5741 -13.5741 -9.3828 -9.3828 -9.3821 -9.3820 -0.5367 -0.5366 -0.5343 -0.5341 0.1007 0.1008 0.1021 0.1023 2.9450 2.9450 2.9523 2.9525 4.0617 4.0624 4.0703 4.0718 5.0130 5.0143 5.0250 5.0257 6.5740 6.5743 6.5833 6.5835 16.1820 16.1821 16.1879 16.1881 17.4835 17.4835 17.4859 17.4861 k = 0.5000 0.3353 0.3004 ( 2096 PWs) bands (ev): -13.5742 -13.5742 -13.5740 -13.5740 -9.3828 -9.3828 -9.3820 -9.3820 -0.5371 -0.5371 -0.5346 -0.5346 0.0994 0.0994 0.1009 0.1009 2.9456 2.9456 2.9530 2.9530 4.0652 4.0652 4.0742 4.0742 5.0124 5.0124 5.0241 5.0241 6.5749 6.5749 6.5841 6.5841 16.1799 16.1799 16.1859 16.1859 17.4813 17.4813 17.4838 17.4838 Writing output data file AlHO2.save init_run : 0.62s CPU 0.38s WALL ( 1 calls) electrons : 340.34s CPU 194.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 340.33s CPU 194.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.25s CPU 0.37s WALL ( 524 calls) cegterg : 308.77s CPU 175.70s WALL ( 581 calls) Called by sum_band: Called by *egterg: h_psi : 159.79s CPU 89.83s WALL ( 10530 calls) s_psi : 17.12s CPU 9.12s WALL ( 10530 calls) g_psi : 0.25s CPU 0.16s WALL ( 9425 calls) cdiaghg : 133.64s CPU 77.22s WALL ( 9949 calls) cegterg:over : 9.60s CPU 5.47s WALL ( 9425 calls) cegterg:upda : 6.26s CPU 3.53s WALL ( 9425 calls) cegterg:last : 3.46s CPU 2.03s WALL ( 1689 calls) cdiaghg:chol : 6.93s CPU 3.95s WALL ( 9949 calls) cdiaghg:inve : 3.76s CPU 2.23s WALL ( 9949 calls) cdiaghg:para : 6.98s CPU 4.16s WALL ( 19898 calls) Called by h_psi: h_psi:vloc : 135.27s CPU 76.49s WALL ( 10530 calls) h_psi:vnl : 24.23s CPU 13.19s WALL ( 10530 calls) add_vuspsi : 14.12s CPU 7.60s WALL ( 10530 calls) General routines calbec : 10.05s CPU 5.54s WALL ( 10530 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 128.28s CPU 72.46s WALL ( 920296 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.54s CPU 0.57s WALL ( 1048 calls) Parallel routines fft_scatter : 64.44s CPU 36.64s WALL ( 920319 calls) PWSCF : 5m55.40s CPU 3m45.10s WALL This run was terminated on: 5:48:13 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=