Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 5:34:34 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Ir.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 19 5 2519 1503 233 Max 28 20 6 2530 1532 252 Sum 1967 1389 403 181597 109101 17369 bravais-lattice index = 14 lattice parameter (alat) = 5.3734 a.u. unit-cell volume = 1878.6275 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.373436 celldm(2)= 2.667136 celldm(3)= 4.539828 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 2.667136 0.000000 ) a(3) = ( 0.000000 0.000000 4.539828 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.374934 -0.000000 ) b(3) = ( 0.000000 0.000000 0.220273 ) PseudoPot. # 1 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Ir 17.00 192.21700 Ir( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -2.2699138 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 2.2699138 ) isym = 4 180 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 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 2.2699138 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -2.2699138 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -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] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0000000 -0.0000000), wk = 0.0026882 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0026882 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0000000 -0.0000000), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0026882 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0026882 k( 16) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0000000 -0.0000000), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0000000 -0.0000000), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0026882 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0026882 k( 22) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0026882 k( 23) = ( 0.1964286 -0.0000000 -0.0000000), wk = 0.0026882 k( 24) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0026882 k( 25) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0026882 k( 26) = ( 0.2232143 -0.0000000 -0.0000000), wk = 0.0026882 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0026882 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0026882 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0026882 k( 30) = ( 0.2589286 -0.0000000 -0.0000000), wk = 0.0026882 k( 31) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0026882 k( 32) = ( 0.2767857 -0.0000000 -0.0000000), wk = 0.0026882 k( 33) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0026882 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0026882 k( 35) = ( 0.3035714 -0.0000000 -0.0000000), wk = 0.0026882 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0026882 k( 37) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0026882 k( 38) = ( 0.3303571 -0.0000000 -0.0000000), wk = 0.0026882 k( 39) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0026882 k( 40) = ( 0.3482143 -0.0000000 -0.0000000), wk = 0.0026882 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0026882 k( 42) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0026882 k( 43) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0026882 k( 44) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0026882 k( 45) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0026882 k( 46) = ( 0.4017857 -0.0000000 -0.0000000), wk = 0.0026882 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0026882 k( 48) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0026882 k( 49) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0026882 k( 50) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0026882 k( 51) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0026882 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0026882 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0026882 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0026882 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0026882 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0026882 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0089270 -0.0000000), wk = 0.0026882 k( 60) = ( 0.5000000 0.0178540 -0.0000000), wk = 0.0026882 k( 61) = ( 0.5000000 0.0267810 -0.0000000), wk = 0.0026882 k( 62) = ( 0.5000000 0.0357080 -0.0000000), wk = 0.0026882 k( 63) = ( 0.5000000 0.0446350 -0.0000000), wk = 0.0026882 k( 64) = ( 0.5000000 0.0535620 -0.0000000), wk = 0.0026882 k( 65) = ( 0.5000000 0.0624890 -0.0000000), wk = 0.0026882 k( 66) = ( 0.5000000 0.0714160 -0.0000000), wk = 0.0026882 k( 67) = ( 0.5000000 0.0803430 -0.0000000), wk = 0.0026882 k( 68) = ( 0.5000000 0.0892700 -0.0000000), wk = 0.0026882 k( 69) = ( 0.5000000 0.0981970 -0.0000000), wk = 0.0026882 k( 70) = ( 0.5000000 0.1071240 -0.0000000), wk = 0.0026882 k( 71) = ( 0.5000000 0.1160510 -0.0000000), wk = 0.0026882 k( 72) = ( 0.5000000 0.1249780 -0.0000000), wk = 0.0026882 k( 73) = ( 0.5000000 0.1339050 -0.0000000), wk = 0.0026882 k( 74) = ( 0.5000000 0.1428320 -0.0000000), wk = 0.0026882 k( 75) = ( 0.5000000 0.1517590 -0.0000000), wk = 0.0026882 k( 76) = ( 0.5000000 0.1606860 -0.0000000), wk = 0.0026882 k( 77) = ( 0.5000000 0.1696130 -0.0000000), wk = 0.0026882 k( 78) = ( 0.5000000 0.1785400 -0.0000000), wk = 0.0026882 k( 79) = ( 0.5000000 0.1874670 -0.0000000), wk = 0.0026882 k( 80) = ( 0.5000000 0.1874670 -0.0000000), wk = 0.0026882 k( 81) = ( 0.4910714 0.1874670 -0.0000000), wk = 0.0026882 k( 82) = ( 0.4821429 0.1874670 -0.0000000), wk = 0.0026882 k( 83) = ( 0.4732143 0.1874670 -0.0000000), wk = 0.0026882 k( 84) = ( 0.4642857 0.1874670 -0.0000000), wk = 0.0026882 k( 85) = ( 0.4553571 0.1874670 -0.0000000), wk = 0.0026882 k( 86) = ( 0.4464286 0.1874670 -0.0000000), wk = 0.0026882 k( 87) = ( 0.4375000 0.1874670 -0.0000000), wk = 0.0026882 k( 88) = ( 0.4285714 0.1874670 -0.0000000), wk = 0.0026882 k( 89) = ( 0.4196429 0.1874670 -0.0000000), wk = 0.0026882 k( 90) = ( 0.4107143 0.1874670 -0.0000000), wk = 0.0026882 k( 91) = ( 0.4017857 0.1874670 -0.0000000), wk = 0.0026882 k( 92) = ( 0.3928571 0.1874670 -0.0000000), wk = 0.0026882 k( 93) = ( 0.3839286 0.1874670 -0.0000000), wk = 0.0026882 k( 94) = ( 0.3750000 0.1874670 -0.0000000), wk = 0.0026882 k( 95) = ( 0.3660714 0.1874670 -0.0000000), wk = 0.0026882 k( 96) = ( 0.3571429 0.1874670 -0.0000000), wk = 0.0026882 k( 97) = ( 0.3482143 0.1874670 -0.0000000), wk = 0.0026882 k( 98) = ( 0.3392857 0.1874670 -0.0000000), wk = 0.0026882 k( 99) = ( 0.3303571 0.1874670 -0.0000000), wk = 0.0026882 k( 100) = ( 0.3214286 0.1874670 -0.0000000), wk = 0.0026882 k( 101) = ( 0.3125000 0.1874670 -0.0000000), wk = 0.0026882 k( 102) = ( 0.3035714 0.1874670 -0.0000000), wk = 0.0026882 k( 103) = ( 0.2946429 0.1874670 -0.0000000), wk = 0.0026882 k( 104) = ( 0.2857143 0.1874670 -0.0000000), wk = 0.0026882 k( 105) = ( 0.2767857 0.1874670 -0.0000000), wk = 0.0026882 k( 106) = ( 0.2678571 0.1874670 -0.0000000), wk = 0.0026882 k( 107) = ( 0.2589286 0.1874670 -0.0000000), wk = 0.0026882 k( 108) = ( 0.2500000 0.1874670 -0.0000000), wk = 0.0026882 k( 109) = ( 0.2410714 0.1874670 -0.0000000), wk = 0.0026882 k( 110) = ( 0.2321429 0.1874670 -0.0000000), wk = 0.0026882 k( 111) = ( 0.2232143 0.1874670 -0.0000000), wk = 0.0026882 k( 112) = ( 0.2142857 0.1874670 -0.0000000), wk = 0.0026882 k( 113) = ( 0.2053571 0.1874670 -0.0000000), wk = 0.0026882 k( 114) = ( 0.1964286 0.1874670 -0.0000000), wk = 0.0026882 k( 115) = ( 0.1875000 0.1874670 -0.0000000), wk = 0.0026882 k( 116) = ( 0.1785714 0.1874670 -0.0000000), wk = 0.0026882 k( 117) = ( 0.1696429 0.1874670 -0.0000000), wk = 0.0026882 k( 118) = ( 0.1607143 0.1874670 -0.0000000), wk = 0.0026882 k( 119) = ( 0.1517857 0.1874670 -0.0000000), wk = 0.0026882 k( 120) = ( 0.1428571 0.1874670 -0.0000000), wk = 0.0026882 k( 121) = ( 0.1339286 0.1874670 -0.0000000), wk = 0.0026882 k( 122) = ( 0.1250000 0.1874670 -0.0000000), wk = 0.0026882 k( 123) = ( 0.1160714 0.1874670 -0.0000000), wk = 0.0026882 k( 124) = ( 0.1071429 0.1874670 -0.0000000), wk = 0.0026882 k( 125) = ( 0.0982143 0.1874670 -0.0000000), wk = 0.0026882 k( 126) = ( 0.0892857 0.1874670 -0.0000000), wk = 0.0026882 k( 127) = ( 0.0803571 0.1874670 -0.0000000), wk = 0.0026882 k( 128) = ( 0.0714286 0.1874670 -0.0000000), wk = 0.0026882 k( 129) = ( 0.0625000 0.1874670 -0.0000000), wk = 0.0026882 k( 130) = ( 0.0535714 0.1874670 -0.0000000), wk = 0.0026882 k( 131) = ( 0.0446429 0.1874670 -0.0000000), wk = 0.0026882 k( 132) = ( 0.0357143 0.1874670 -0.0000000), wk = 0.0026882 k( 133) = ( 0.0267857 0.1874670 -0.0000000), wk = 0.0026882 k( 134) = ( 0.0178571 0.1874670 -0.0000000), wk = 0.0026882 k( 135) = ( 0.0089286 0.1874670 -0.0000000), wk = 0.0026882 k( 136) = ( 0.0000000 0.1874670 -0.0000000), wk = 0.0026882 k( 137) = ( 0.0000000 0.1874670 -0.0000000), wk = 0.0026882 k( 138) = ( 0.0000000 0.1785400 -0.0000000), wk = 0.0026882 k( 139) = ( 0.0000000 0.1696130 -0.0000000), wk = 0.0026882 k( 140) = ( 0.0000000 0.1606860 -0.0000000), wk = 0.0026882 k( 141) = ( 0.0000000 0.1517590 -0.0000000), wk = 0.0026882 k( 142) = ( 0.0000000 0.1428320 -0.0000000), wk = 0.0026882 k( 143) = ( 0.0000000 0.1339050 -0.0000000), wk = 0.0026882 k( 144) = ( 0.0000000 0.1249780 -0.0000000), wk = 0.0026882 k( 145) = ( 0.0000000 0.1160510 -0.0000000), wk = 0.0026882 k( 146) = ( 0.0000000 0.1071240 -0.0000000), wk = 0.0026882 k( 147) = ( 0.0000000 0.0981970 -0.0000000), wk = 0.0026882 k( 148) = ( 0.0000000 0.0892700 -0.0000000), wk = 0.0026882 k( 149) = ( 0.0000000 0.0803430 -0.0000000), wk = 0.0026882 k( 150) = ( 0.0000000 0.0714160 -0.0000000), wk = 0.0026882 k( 151) = ( 0.0000000 0.0624890 -0.0000000), wk = 0.0026882 k( 152) = ( 0.0000000 0.0535620 -0.0000000), wk = 0.0026882 k( 153) = ( 0.0000000 0.0446350 -0.0000000), wk = 0.0026882 k( 154) = ( 0.0000000 0.0357080 -0.0000000), wk = 0.0026882 k( 155) = ( 0.0000000 0.0267810 -0.0000000), wk = 0.0026882 k( 156) = ( 0.0000000 0.0178540 -0.0000000), wk = 0.0026882 k( 157) = ( 0.0000000 0.0089270 -0.0000000), wk = 0.0026882 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 160) = ( 0.0000000 0.0000000 0.0084720), wk = 0.0026882 k( 161) = ( 0.0000000 0.0000000 0.0169441), wk = 0.0026882 k( 162) = ( 0.0000000 0.0000000 0.0254161), wk = 0.0026882 k( 163) = ( 0.0000000 0.0000000 0.0338881), wk = 0.0026882 k( 164) = ( 0.0000000 0.0000000 0.0423601), wk = 0.0026882 k( 165) = ( 0.0000000 0.0000000 0.0508322), wk = 0.0026882 k( 166) = ( 0.0000000 0.0000000 0.0593042), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0677762), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0762482), wk = 0.0026882 k( 169) = ( 0.0000000 0.0000000 0.0847203), wk = 0.0026882 k( 170) = ( 0.0000000 0.0000000 0.0931923), wk = 0.0026882 k( 171) = ( 0.0000000 0.0000000 0.1016643), wk = 0.0026882 k( 172) = ( 0.0000000 0.0000000 0.1101363), wk = 0.0026882 k( 173) = ( 0.0000000 0.0000000 0.1101363), wk = 0.0026882 k( 174) = ( 0.0089286 -0.0000000 0.1101363), wk = 0.0026882 k( 175) = ( 0.0178571 -0.0000000 0.1101363), wk = 0.0026882 k( 176) = ( 0.0267857 -0.0000000 0.1101363), wk = 0.0026882 k( 177) = ( 0.0357143 -0.0000000 0.1101363), wk = 0.0026882 k( 178) = ( 0.0446429 -0.0000000 0.1101363), wk = 0.0026882 k( 179) = ( 0.0535714 -0.0000000 0.1101363), wk = 0.0026882 k( 180) = ( 0.0625000 -0.0000000 0.1101363), wk = 0.0026882 k( 181) = ( 0.0714286 -0.0000000 0.1101363), wk = 0.0026882 k( 182) = ( 0.0803571 -0.0000000 0.1101363), wk = 0.0026882 k( 183) = ( 0.0892857 -0.0000000 0.1101363), wk = 0.0026882 k( 184) = ( 0.0982143 -0.0000000 0.1101363), wk = 0.0026882 k( 185) = ( 0.1071429 -0.0000000 0.1101363), wk = 0.0026882 k( 186) = ( 0.1160714 -0.0000000 0.1101363), wk = 0.0026882 k( 187) = ( 0.1250000 -0.0000000 0.1101363), wk = 0.0026882 k( 188) = ( 0.1339286 -0.0000000 0.1101363), wk = 0.0026882 k( 189) = ( 0.1428571 -0.0000000 0.1101363), wk = 0.0026882 k( 190) = ( 0.1517857 -0.0000000 0.1101363), wk = 0.0026882 k( 191) = ( 0.1607143 -0.0000000 0.1101363), wk = 0.0026882 k( 192) = ( 0.1696429 -0.0000000 0.1101363), wk = 0.0026882 k( 193) = ( 0.1785714 -0.0000000 0.1101363), wk = 0.0026882 k( 194) = ( 0.1875000 -0.0000000 0.1101363), wk = 0.0026882 k( 195) = ( 0.1964286 -0.0000000 0.1101363), wk = 0.0026882 k( 196) = ( 0.2053571 -0.0000000 0.1101363), wk = 0.0026882 k( 197) = ( 0.2142857 -0.0000000 0.1101363), wk = 0.0026882 k( 198) = ( 0.2232143 -0.0000000 0.1101363), wk = 0.0026882 k( 199) = ( 0.2321429 -0.0000000 0.1101363), wk = 0.0026882 k( 200) = ( 0.2410714 -0.0000000 0.1101363), wk = 0.0026882 k( 201) = ( 0.2500000 -0.0000000 0.1101363), wk = 0.0026882 k( 202) = ( 0.2589286 -0.0000000 0.1101363), wk = 0.0026882 k( 203) = ( 0.2678571 -0.0000000 0.1101363), wk = 0.0026882 k( 204) = ( 0.2767857 -0.0000000 0.1101363), wk = 0.0026882 k( 205) = ( 0.2857143 -0.0000000 0.1101363), wk = 0.0026882 k( 206) = ( 0.2946429 -0.0000000 0.1101363), wk = 0.0026882 k( 207) = ( 0.3035714 -0.0000000 0.1101363), wk = 0.0026882 k( 208) = ( 0.3125000 -0.0000000 0.1101363), wk = 0.0026882 k( 209) = ( 0.3214286 -0.0000000 0.1101363), wk = 0.0026882 k( 210) = ( 0.3303571 -0.0000000 0.1101363), wk = 0.0026882 k( 211) = ( 0.3392857 -0.0000000 0.1101363), wk = 0.0026882 k( 212) = ( 0.3482143 -0.0000000 0.1101363), wk = 0.0026882 k( 213) = ( 0.3571429 -0.0000000 0.1101363), wk = 0.0026882 k( 214) = ( 0.3660714 -0.0000000 0.1101363), wk = 0.0026882 k( 215) = ( 0.3750000 -0.0000000 0.1101363), wk = 0.0026882 k( 216) = ( 0.3839286 -0.0000000 0.1101363), wk = 0.0026882 k( 217) = ( 0.3928571 -0.0000000 0.1101363), wk = 0.0026882 k( 218) = ( 0.4017857 -0.0000000 0.1101363), wk = 0.0026882 k( 219) = ( 0.4107143 -0.0000000 0.1101363), wk = 0.0026882 k( 220) = ( 0.4196429 -0.0000000 0.1101363), wk = 0.0026882 k( 221) = ( 0.4285714 -0.0000000 0.1101363), wk = 0.0026882 k( 222) = ( 0.4375000 -0.0000000 0.1101363), wk = 0.0026882 k( 223) = ( 0.4464286 -0.0000000 0.1101363), wk = 0.0026882 k( 224) = ( 0.4553571 -0.0000000 0.1101363), wk = 0.0026882 k( 225) = ( 0.4642857 -0.0000000 0.1101363), wk = 0.0026882 k( 226) = ( 0.4732143 -0.0000000 0.1101363), wk = 0.0026882 k( 227) = ( 0.4821429 -0.0000000 0.1101363), wk = 0.0026882 k( 228) = ( 0.4910714 -0.0000000 0.1101363), wk = 0.0026882 k( 229) = ( 0.5000000 -0.0000000 0.1101363), wk = 0.0026882 k( 230) = ( 0.5000000 -0.0000000 0.1101363), wk = 0.0026882 k( 231) = ( 0.5000000 0.0089270 0.1101363), wk = 0.0026882 k( 232) = ( 0.5000000 0.0178540 0.1101363), wk = 0.0026882 k( 233) = ( 0.5000000 0.0267810 0.1101363), wk = 0.0026882 k( 234) = ( 0.5000000 0.0357080 0.1101363), wk = 0.0026882 k( 235) = ( 0.5000000 0.0446350 0.1101363), wk = 0.0026882 k( 236) = ( 0.5000000 0.0535620 0.1101363), wk = 0.0026882 k( 237) = ( 0.5000000 0.0624890 0.1101363), wk = 0.0026882 k( 238) = ( 0.5000000 0.0714160 0.1101363), wk = 0.0026882 k( 239) = ( 0.5000000 0.0803430 0.1101363), wk = 0.0026882 k( 240) = ( 0.5000000 0.0892700 0.1101363), wk = 0.0026882 k( 241) = ( 0.5000000 0.0981970 0.1101363), wk = 0.0026882 k( 242) = ( 0.5000000 0.1071240 0.1101363), wk = 0.0026882 k( 243) = ( 0.5000000 0.1160510 0.1101363), wk = 0.0026882 k( 244) = ( 0.5000000 0.1249780 0.1101363), wk = 0.0026882 k( 245) = ( 0.5000000 0.1339050 0.1101363), wk = 0.0026882 k( 246) = ( 0.5000000 0.1428320 0.1101363), wk = 0.0026882 k( 247) = ( 0.5000000 0.1517590 0.1101363), wk = 0.0026882 k( 248) = ( 0.5000000 0.1606860 0.1101363), wk = 0.0026882 k( 249) = ( 0.5000000 0.1696130 0.1101363), wk = 0.0026882 k( 250) = ( 0.5000000 0.1785400 0.1101363), wk = 0.0026882 k( 251) = ( 0.5000000 0.1874670 0.1101363), wk = 0.0026882 k( 252) = ( 0.5000000 0.1874670 0.1101363), wk = 0.0026882 k( 253) = ( 0.4910714 0.1874670 0.1101363), wk = 0.0026882 k( 254) = ( 0.4821429 0.1874670 0.1101363), wk = 0.0026882 k( 255) = ( 0.4732143 0.1874670 0.1101363), wk = 0.0026882 k( 256) = ( 0.4642857 0.1874670 0.1101363), wk = 0.0026882 k( 257) = ( 0.4553571 0.1874670 0.1101363), wk = 0.0026882 k( 258) = ( 0.4464286 0.1874670 0.1101363), wk = 0.0026882 k( 259) = ( 0.4375000 0.1874670 0.1101363), wk = 0.0026882 k( 260) = ( 0.4285714 0.1874670 0.1101363), wk = 0.0026882 k( 261) = ( 0.4196429 0.1874670 0.1101363), wk = 0.0026882 k( 262) = ( 0.4107143 0.1874670 0.1101363), wk = 0.0026882 k( 263) = ( 0.4017857 0.1874670 0.1101363), wk = 0.0026882 k( 264) = ( 0.3928571 0.1874670 0.1101363), wk = 0.0026882 k( 265) = ( 0.3839286 0.1874670 0.1101363), wk = 0.0026882 k( 266) = ( 0.3750000 0.1874670 0.1101363), wk = 0.0026882 k( 267) = ( 0.3660714 0.1874670 0.1101363), wk = 0.0026882 k( 268) = ( 0.3571429 0.1874670 0.1101363), wk = 0.0026882 k( 269) = ( 0.3482143 0.1874670 0.1101363), wk = 0.0026882 k( 270) = ( 0.3392857 0.1874670 0.1101363), wk = 0.0026882 k( 271) = ( 0.3303571 0.1874670 0.1101363), wk = 0.0026882 k( 272) = ( 0.3214286 0.1874670 0.1101363), wk = 0.0026882 k( 273) = ( 0.3125000 0.1874670 0.1101363), wk = 0.0026882 k( 274) = ( 0.3035714 0.1874670 0.1101363), wk = 0.0026882 k( 275) = ( 0.2946429 0.1874670 0.1101363), wk = 0.0026882 k( 276) = ( 0.2857143 0.1874670 0.1101363), wk = 0.0026882 k( 277) = ( 0.2767857 0.1874670 0.1101363), wk = 0.0026882 k( 278) = ( 0.2678571 0.1874670 0.1101363), wk = 0.0026882 k( 279) = ( 0.2589286 0.1874670 0.1101363), wk = 0.0026882 k( 280) = ( 0.2500000 0.1874670 0.1101363), wk = 0.0026882 k( 281) = ( 0.2410714 0.1874670 0.1101363), wk = 0.0026882 k( 282) = ( 0.2321429 0.1874670 0.1101363), wk = 0.0026882 k( 283) = ( 0.2232143 0.1874670 0.1101363), wk = 0.0026882 k( 284) = ( 0.2142857 0.1874670 0.1101363), wk = 0.0026882 k( 285) = ( 0.2053571 0.1874670 0.1101363), wk = 0.0026882 k( 286) = ( 0.1964286 0.1874670 0.1101363), wk = 0.0026882 k( 287) = ( 0.1875000 0.1874670 0.1101363), wk = 0.0026882 k( 288) = ( 0.1785714 0.1874670 0.1101363), wk = 0.0026882 k( 289) = ( 0.1696429 0.1874670 0.1101363), wk = 0.0026882 k( 290) = ( 0.1607143 0.1874670 0.1101363), wk = 0.0026882 k( 291) = ( 0.1517857 0.1874670 0.1101363), wk = 0.0026882 k( 292) = ( 0.1428571 0.1874670 0.1101363), wk = 0.0026882 k( 293) = ( 0.1339286 0.1874670 0.1101363), wk = 0.0026882 k( 294) = ( 0.1250000 0.1874670 0.1101363), wk = 0.0026882 k( 295) = ( 0.1160714 0.1874670 0.1101363), wk = 0.0026882 k( 296) = ( 0.1071429 0.1874670 0.1101363), wk = 0.0026882 k( 297) = ( 0.0982143 0.1874670 0.1101363), wk = 0.0026882 k( 298) = ( 0.0892857 0.1874670 0.1101363), wk = 0.0026882 k( 299) = ( 0.0803571 0.1874670 0.1101363), wk = 0.0026882 k( 300) = ( 0.0714286 0.1874670 0.1101363), wk = 0.0026882 k( 301) = ( 0.0625000 0.1874670 0.1101363), wk = 0.0026882 k( 302) = ( 0.0535714 0.1874670 0.1101363), wk = 0.0026882 k( 303) = ( 0.0446429 0.1874670 0.1101363), wk = 0.0026882 k( 304) = ( 0.0357143 0.1874670 0.1101363), wk = 0.0026882 k( 305) = ( 0.0267857 0.1874670 0.1101363), wk = 0.0026882 k( 306) = ( 0.0178571 0.1874670 0.1101363), wk = 0.0026882 k( 307) = ( 0.0089286 0.1874670 0.1101363), wk = 0.0026882 k( 308) = ( 0.0000000 0.1874670 0.1101363), wk = 0.0026882 k( 309) = ( 0.0000000 0.1874670 0.1101363), wk = 0.0026882 k( 310) = ( 0.0000000 0.1785400 0.1101363), wk = 0.0026882 k( 311) = ( 0.0000000 0.1696130 0.1101363), wk = 0.0026882 k( 312) = ( 0.0000000 0.1606860 0.1101363), wk = 0.0026882 k( 313) = ( 0.0000000 0.1517590 0.1101363), wk = 0.0026882 k( 314) = ( 0.0000000 0.1428320 0.1101363), wk = 0.0026882 k( 315) = ( 0.0000000 0.1339050 0.1101363), wk = 0.0026882 k( 316) = ( 0.0000000 0.1249780 0.1101363), wk = 0.0026882 k( 317) = ( 0.0000000 0.1160510 0.1101363), wk = 0.0026882 k( 318) = ( 0.0000000 0.1071240 0.1101363), wk = 0.0026882 k( 319) = ( 0.0000000 0.0981970 0.1101363), wk = 0.0026882 k( 320) = ( 0.0000000 0.0892700 0.1101363), wk = 0.0026882 k( 321) = ( 0.0000000 0.0803430 0.1101363), wk = 0.0026882 k( 322) = ( 0.0000000 0.0714160 0.1101363), wk = 0.0026882 k( 323) = ( 0.0000000 0.0624890 0.1101363), wk = 0.0026882 k( 324) = ( 0.0000000 0.0535620 0.1101363), wk = 0.0026882 k( 325) = ( 0.0000000 0.0446350 0.1101363), wk = 0.0026882 k( 326) = ( 0.0000000 0.0357080 0.1101363), wk = 0.0026882 k( 327) = ( 0.0000000 0.0267810 0.1101363), wk = 0.0026882 k( 328) = ( 0.0000000 0.0178540 0.1101363), wk = 0.0026882 k( 329) = ( 0.0000000 0.0089270 0.1101363), wk = 0.0026882 k( 330) = ( 0.0000000 0.0000000 0.1101363), wk = 0.0026882 k( 331) = ( 0.0000000 0.1874670 -0.0000000), wk = 0.0026882 k( 332) = ( 0.0000000 0.1874670 0.0084720), wk = 0.0026882 k( 333) = ( 0.0000000 0.1874670 0.0169441), wk = 0.0026882 k( 334) = ( 0.0000000 0.1874670 0.0254161), wk = 0.0026882 k( 335) = ( 0.0000000 0.1874670 0.0338881), wk = 0.0026882 k( 336) = ( 0.0000000 0.1874670 0.0423601), wk = 0.0026882 k( 337) = ( 0.0000000 0.1874670 0.0508322), wk = 0.0026882 k( 338) = ( 0.0000000 0.1874670 0.0593042), wk = 0.0026882 k( 339) = ( 0.0000000 0.1874670 0.0677762), wk = 0.0026882 k( 340) = ( 0.0000000 0.1874670 0.0762482), wk = 0.0026882 k( 341) = ( 0.0000000 0.1874670 0.0847203), wk = 0.0026882 k( 342) = ( 0.0000000 0.1874670 0.0931923), wk = 0.0026882 k( 343) = ( 0.0000000 0.1874670 0.1016643), wk = 0.0026882 k( 344) = ( 0.0000000 0.1874670 0.1101363), wk = 0.0026882 k( 345) = ( 0.5000000 -0.0000000 0.1101363), wk = 0.0026882 k( 346) = ( 0.5000000 -0.0000000 0.1016643), wk = 0.0026882 k( 347) = ( 0.5000000 -0.0000000 0.0931923), wk = 0.0026882 k( 348) = ( 0.5000000 -0.0000000 0.0847203), wk = 0.0026882 k( 349) = ( 0.5000000 -0.0000000 0.0762482), wk = 0.0026882 k( 350) = ( 0.5000000 -0.0000000 0.0677762), wk = 0.0026882 k( 351) = ( 0.5000000 -0.0000000 0.0593042), wk = 0.0026882 k( 352) = ( 0.5000000 -0.0000000 0.0508322), wk = 0.0026882 k( 353) = ( 0.5000000 -0.0000000 0.0423601), wk = 0.0026882 k( 354) = ( 0.5000000 -0.0000000 0.0338881), wk = 0.0026882 k( 355) = ( 0.5000000 -0.0000000 0.0254161), wk = 0.0026882 k( 356) = ( 0.5000000 -0.0000000 0.0169441), wk = 0.0026882 k( 357) = ( 0.5000000 -0.0000000 0.0084720), wk = 0.0026882 k( 358) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026882 k( 359) = ( 0.5000000 0.1874670 -0.0000000), wk = 0.0026882 k( 360) = ( 0.5000000 0.1874670 0.0084720), wk = 0.0026882 k( 361) = ( 0.5000000 0.1874670 0.0169441), wk = 0.0026882 k( 362) = ( 0.5000000 0.1874670 0.0254161), wk = 0.0026882 k( 363) = ( 0.5000000 0.1874670 0.0338881), wk = 0.0026882 k( 364) = ( 0.5000000 0.1874670 0.0423601), wk = 0.0026882 k( 365) = ( 0.5000000 0.1874670 0.0508322), wk = 0.0026882 k( 366) = ( 0.5000000 0.1874670 0.0593042), wk = 0.0026882 k( 367) = ( 0.5000000 0.1874670 0.0677762), wk = 0.0026882 k( 368) = ( 0.5000000 0.1874670 0.0762482), wk = 0.0026882 k( 369) = ( 0.5000000 0.1874670 0.0847203), wk = 0.0026882 k( 370) = ( 0.5000000 0.1874670 0.0931923), wk = 0.0026882 k( 371) = ( 0.5000000 0.1874670 0.1016643), wk = 0.0026882 k( 372) = ( 0.5000000 0.1874670 0.1101363), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0000000 -0.0000000), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0000000 -0.0000000), wk = 0.0026882 k( 4) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0026882 k( 5) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0026882 k( 6) = ( 0.0446429 0.0000000 -0.0000000), wk = 0.0026882 k( 7) = ( 0.0535714 0.0000000 -0.0000000), wk = 0.0026882 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0026882 k( 10) = ( 0.0803571 0.0000000 -0.0000000), wk = 0.0026882 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0026882 k( 12) = ( 0.0982143 0.0000000 -0.0000000), wk = 0.0026882 k( 13) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0026882 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0026882 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0026882 k( 16) = ( 0.1339286 0.0000000 -0.0000000), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0026882 k( 18) = ( 0.1517857 0.0000000 -0.0000000), wk = 0.0026882 k( 19) = ( 0.1607143 0.0000000 -0.0000000), wk = 0.0026882 k( 20) = ( 0.1696429 0.0000000 -0.0000000), wk = 0.0026882 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0026882 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0026882 k( 23) = ( 0.1964286 0.0000000 -0.0000000), wk = 0.0026882 k( 24) = ( 0.2053571 0.0000000 -0.0000000), wk = 0.0026882 k( 25) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0026882 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0026882 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0026882 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0026882 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026882 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0026882 k( 31) = ( 0.2678571 0.0000000 -0.0000000), wk = 0.0026882 k( 32) = ( 0.2767857 0.0000000 -0.0000000), wk = 0.0026882 k( 33) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0026882 k( 34) = ( 0.2946429 -0.0000000 0.0000000), wk = 0.0026882 k( 35) = ( 0.3035714 0.0000000 -0.0000000), wk = 0.0026882 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0026882 k( 37) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0026882 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0026882 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0026882 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0026882 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0026882 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0026882 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0026882 k( 44) = ( 0.3839286 0.0000000 -0.0000000), wk = 0.0026882 k( 45) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0026882 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0026882 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0026882 k( 48) = ( 0.4196429 0.0000000 -0.0000000), wk = 0.0026882 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0026882 k( 50) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0026882 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0026882 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0026882 k( 53) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0026882 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0026882 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0026882 k( 56) = ( 0.4910714 0.0000000 -0.0000000), wk = 0.0026882 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0238095 0.0000000), wk = 0.0026882 k( 60) = ( 0.5000000 0.0476191 0.0000000), wk = 0.0026882 k( 61) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0026882 k( 62) = ( 0.5000000 0.0952381 0.0000000), wk = 0.0026882 k( 63) = ( 0.5000000 0.1190476 -0.0000000), wk = 0.0026882 k( 64) = ( 0.5000000 0.1428571 -0.0000000), wk = 0.0026882 k( 65) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0026882 k( 66) = ( 0.5000000 0.1904762 0.0000000), wk = 0.0026882 k( 67) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0026882 k( 68) = ( 0.5000000 0.2380952 -0.0000000), wk = 0.0026882 k( 69) = ( 0.5000000 0.2619048 0.0000000), wk = 0.0026882 k( 70) = ( 0.5000000 0.2857143 -0.0000000), wk = 0.0026882 k( 71) = ( 0.5000000 0.3095238 -0.0000000), wk = 0.0026882 k( 72) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0026882 k( 73) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0026882 k( 74) = ( 0.5000000 0.3809524 0.0000000), wk = 0.0026882 k( 75) = ( 0.5000000 0.4047619 0.0000000), wk = 0.0026882 k( 76) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0026882 k( 77) = ( 0.5000000 0.4523809 -0.0000000), wk = 0.0026882 k( 78) = ( 0.5000000 0.4761905 -0.0000000), wk = 0.0026882 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026882 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026882 k( 81) = ( 0.4910714 0.5000000 -0.0000000), wk = 0.0026882 k( 82) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0026882 k( 83) = ( 0.4732143 0.5000000 0.0000000), wk = 0.0026882 k( 84) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0026882 k( 85) = ( 0.4553571 0.5000000 -0.0000000), wk = 0.0026882 k( 86) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0026882 k( 87) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0026882 k( 88) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026882 k( 89) = ( 0.4196429 0.5000000 0.0000000), wk = 0.0026882 k( 90) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0026882 k( 91) = ( 0.4017857 0.5000000 -0.0000000), wk = 0.0026882 k( 92) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026882 k( 93) = ( 0.3839286 0.5000000 -0.0000000), wk = 0.0026882 k( 94) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026882 k( 95) = ( 0.3660714 0.5000000 0.0000000), wk = 0.0026882 k( 96) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026882 k( 97) = ( 0.3482143 0.5000000 0.0000000), wk = 0.0026882 k( 98) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0026882 k( 99) = ( 0.3303571 0.5000000 0.0000000), wk = 0.0026882 k( 100) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0026882 k( 101) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0026882 k( 102) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0026882 k( 103) = ( 0.2946429 0.5000000 0.0000000), wk = 0.0026882 k( 104) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026882 k( 105) = ( 0.2767857 0.5000000 -0.0000000), wk = 0.0026882 k( 106) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0026882 k( 107) = ( 0.2589286 0.5000000 0.0000000), wk = 0.0026882 k( 108) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026882 k( 109) = ( 0.2410714 0.5000000 -0.0000000), wk = 0.0026882 k( 110) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0026882 k( 111) = ( 0.2232143 0.5000000 -0.0000000), wk = 0.0026882 k( 112) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026882 k( 113) = ( 0.2053571 0.5000000 -0.0000000), wk = 0.0026882 k( 114) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0026882 k( 115) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0026882 k( 116) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0026882 k( 117) = ( 0.1696429 0.5000000 0.0000000), wk = 0.0026882 k( 118) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0026882 k( 119) = ( 0.1517857 0.5000000 0.0000000), wk = 0.0026882 k( 120) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026882 k( 121) = ( 0.1339286 0.5000000 -0.0000000), wk = 0.0026882 k( 122) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026882 k( 123) = ( 0.1160714 0.5000000 0.0000000), wk = 0.0026882 k( 124) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0026882 k( 125) = ( 0.0982143 0.5000000 0.0000000), wk = 0.0026882 k( 126) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0026882 k( 127) = ( 0.0803571 0.5000000 0.0000000), wk = 0.0026882 k( 128) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026882 k( 129) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0026882 k( 130) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0026882 k( 131) = ( 0.0446429 0.5000000 0.0000000), wk = 0.0026882 k( 132) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0026882 k( 133) = ( 0.0267857 0.5000000 -0.0000000), wk = 0.0026882 k( 134) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0026882 k( 135) = ( 0.0089286 0.5000000 0.0000000), wk = 0.0026882 k( 136) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 138) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0026882 k( 139) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0026882 k( 140) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026882 k( 141) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026882 k( 142) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0026882 k( 143) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026882 k( 144) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026882 k( 145) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0026882 k( 146) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026882 k( 147) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0026882 k( 148) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0026882 k( 149) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026882 k( 150) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0026882 k( 151) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026882 k( 152) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026882 k( 153) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0026882 k( 154) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0026882 k( 155) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026882 k( 156) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0026882 k( 157) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026882 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 160) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026882 k( 161) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026882 k( 162) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026882 k( 163) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026882 k( 164) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026882 k( 165) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026882 k( 166) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0026882 k( 169) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026882 k( 170) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026882 k( 171) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026882 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 174) = ( 0.0089286 -0.0000000 0.5000000), wk = 0.0026882 k( 175) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0026882 k( 176) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0026882 k( 177) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0026882 k( 178) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0026882 k( 179) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0026882 k( 180) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0026882 k( 181) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0026882 k( 182) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0026882 k( 183) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0026882 k( 184) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0026882 k( 185) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0026882 k( 186) = ( 0.1160714 0.0000000 0.5000000), wk = 0.0026882 k( 187) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0026882 k( 188) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0026882 k( 189) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0026882 k( 190) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0026882 k( 191) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0026882 k( 192) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0026882 k( 193) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0026882 k( 194) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0026882 k( 195) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0026882 k( 196) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0026882 k( 197) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0026882 k( 198) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0026882 k( 199) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0026882 k( 200) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0026882 k( 201) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026882 k( 202) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0026882 k( 203) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0026882 k( 204) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0026882 k( 205) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0026882 k( 206) = ( 0.2946429 -0.0000000 0.5000000), wk = 0.0026882 k( 207) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0026882 k( 208) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0026882 k( 209) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0026882 k( 210) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0026882 k( 211) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0026882 k( 212) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0026882 k( 213) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0026882 k( 214) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0026882 k( 215) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026882 k( 216) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0026882 k( 217) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0026882 k( 220) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0026882 k( 221) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0026882 k( 222) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0026882 k( 223) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0026882 k( 224) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0026882 k( 225) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0026882 k( 226) = ( 0.4732143 -0.0000000 0.5000000), wk = 0.0026882 k( 227) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0026882 k( 228) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0026882 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 231) = ( 0.5000000 0.0238095 0.5000000), wk = 0.0026882 k( 232) = ( 0.5000000 0.0476191 0.5000000), wk = 0.0026882 k( 233) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0026882 k( 234) = ( 0.5000000 0.0952381 0.5000000), wk = 0.0026882 k( 235) = ( 0.5000000 0.1190476 0.5000000), wk = 0.0026882 k( 236) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0026882 k( 237) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0026882 k( 238) = ( 0.5000000 0.1904762 0.5000000), wk = 0.0026882 k( 239) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0026882 k( 240) = ( 0.5000000 0.2380952 0.5000000), wk = 0.0026882 k( 241) = ( 0.5000000 0.2619048 0.5000000), wk = 0.0026882 k( 242) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0026882 k( 243) = ( 0.5000000 0.3095238 0.5000000), wk = 0.0026882 k( 244) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0026882 k( 245) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0026882 k( 246) = ( 0.5000000 0.3809524 0.5000000), wk = 0.0026882 k( 247) = ( 0.5000000 0.4047619 0.5000000), wk = 0.0026882 k( 248) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0026882 k( 249) = ( 0.5000000 0.4523809 0.5000000), wk = 0.0026882 k( 250) = ( 0.5000000 0.4761905 0.5000000), wk = 0.0026882 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 253) = ( 0.4910714 0.5000000 0.5000000), wk = 0.0026882 k( 254) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0026882 k( 255) = ( 0.4732143 0.5000000 0.5000000), wk = 0.0026882 k( 256) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026882 k( 257) = ( 0.4553571 0.5000000 0.5000000), wk = 0.0026882 k( 258) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0026882 k( 259) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0026882 k( 260) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026882 k( 261) = ( 0.4196429 0.5000000 0.5000000), wk = 0.0026882 k( 262) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0026882 k( 263) = ( 0.4017857 0.5000000 0.5000000), wk = 0.0026882 k( 264) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026882 k( 265) = ( 0.3839286 0.5000000 0.5000000), wk = 0.0026882 k( 266) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0026882 k( 267) = ( 0.3660714 0.5000000 0.5000000), wk = 0.0026882 k( 268) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026882 k( 269) = ( 0.3482143 0.5000000 0.5000000), wk = 0.0026882 k( 270) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0026882 k( 271) = ( 0.3303571 0.5000000 0.5000000), wk = 0.0026882 k( 272) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026882 k( 273) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0026882 k( 274) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0026882 k( 275) = ( 0.2946429 0.5000000 0.5000000), wk = 0.0026882 k( 276) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026882 k( 277) = ( 0.2767857 0.5000000 0.5000000), wk = 0.0026882 k( 278) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0026882 k( 279) = ( 0.2589286 0.5000000 0.5000000), wk = 0.0026882 k( 280) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026882 k( 281) = ( 0.2410714 0.5000000 0.5000000), wk = 0.0026882 k( 282) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0026882 k( 283) = ( 0.2232143 0.5000000 0.5000000), wk = 0.0026882 k( 284) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026882 k( 285) = ( 0.2053571 0.5000000 0.5000000), wk = 0.0026882 k( 286) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0026882 k( 287) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0026882 k( 288) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026882 k( 289) = ( 0.1696429 0.5000000 0.5000000), wk = 0.0026882 k( 290) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0026882 k( 291) = ( 0.1517857 0.5000000 0.5000000), wk = 0.0026882 k( 292) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026882 k( 293) = ( 0.1339286 0.5000000 0.5000000), wk = 0.0026882 k( 294) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0026882 k( 295) = ( 0.1160714 0.5000000 0.5000000), wk = 0.0026882 k( 296) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026882 k( 297) = ( 0.0982143 0.5000000 0.5000000), wk = 0.0026882 k( 298) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0026882 k( 299) = ( 0.0803571 0.5000000 0.5000000), wk = 0.0026882 k( 300) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026882 k( 301) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0026882 k( 302) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0026882 k( 303) = ( 0.0446429 0.5000000 0.5000000), wk = 0.0026882 k( 304) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026882 k( 305) = ( 0.0267857 0.5000000 0.5000000), wk = 0.0026882 k( 306) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0026882 k( 307) = ( 0.0089286 0.5000000 0.5000000), wk = 0.0026882 k( 308) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 309) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 310) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0026882 k( 311) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0026882 k( 312) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0026882 k( 313) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0026882 k( 314) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0026882 k( 315) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0026882 k( 316) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026882 k( 317) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0026882 k( 318) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0026882 k( 319) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0026882 k( 320) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0026882 k( 321) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0026882 k( 322) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0026882 k( 323) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026882 k( 324) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0026882 k( 325) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0026882 k( 326) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0026882 k( 327) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0026882 k( 328) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0026882 k( 329) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0026882 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026882 k( 331) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026882 k( 332) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026882 k( 333) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026882 k( 334) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026882 k( 335) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026882 k( 336) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026882 k( 337) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026882 k( 338) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026882 k( 339) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026882 k( 340) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026882 k( 341) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026882 k( 342) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026882 k( 343) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026882 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026882 k( 345) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 346) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0026882 k( 347) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0026882 k( 348) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0026882 k( 349) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0026882 k( 350) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0026882 k( 351) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0026882 k( 352) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0026882 k( 353) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0026882 k( 354) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0026882 k( 355) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0026882 k( 356) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0026882 k( 357) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0026882 k( 358) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026882 k( 360) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0026882 k( 361) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0026882 k( 362) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0026882 k( 363) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0026882 k( 364) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0026882 k( 365) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0026882 k( 366) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0026882 k( 367) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0026882 k( 368) = ( 0.5000000 0.5000000 0.3461539), wk = 0.0026882 k( 369) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0026882 k( 370) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0026882 k( 371) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0026882 k( 372) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 Dense grid: 181597 G-vectors FFT dimensions: ( 32, 81, 144) Smooth grid: 109101 G-vectors FFT dimensions: ( 25, 72, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 388, 42) NL pseudopotentials 0.20 Mb ( 194, 68) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2521) G-vector shells 0.01 Mb ( 1274) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 388, 168) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.09 Mb ( 68, 2, 42) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ir.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.4 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.2 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.0 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.9 secs Computing kpt #: 30 total cpu time spent up to now is 15.4 secs Computing kpt #: 31 total cpu time spent up to now is 15.9 secs Computing kpt #: 32 total cpu time spent up to now is 16.4 secs Computing kpt #: 33 total cpu time spent up to now is 16.9 secs Computing kpt #: 34 total cpu time spent up to now is 17.4 secs Computing kpt #: 35 total cpu time spent up to now is 17.9 secs Computing kpt #: 36 total cpu time spent up to now is 18.4 secs Computing kpt #: 37 total cpu time spent up to now is 18.9 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.0 secs Computing kpt #: 42 total cpu time spent up to now is 21.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.0 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.2 secs Computing kpt #: 46 total cpu time spent up to now is 23.9 secs Computing kpt #: 47 total cpu time spent up to now is 24.5 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.8 secs Computing kpt #: 50 total cpu time spent up to now is 26.2 secs Computing kpt #: 51 total cpu time spent up to now is 26.7 secs Computing kpt #: 52 total cpu time spent up to now is 27.1 secs Computing kpt #: 53 total cpu time spent up to now is 27.6 secs Computing kpt #: 54 total cpu time spent up to now is 28.0 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.9 secs Computing kpt #: 57 total cpu time spent up to now is 29.3 secs Computing kpt #: 58 total cpu time spent up to now is 29.8 secs Computing kpt #: 59 total cpu time spent up to now is 30.2 secs Computing kpt #: 60 total cpu time spent up to now is 30.7 secs Computing kpt #: 61 total cpu time spent up to now is 31.2 secs Computing kpt #: 62 total cpu time spent up to now is 31.6 secs Computing kpt #: 63 total cpu time spent up to now is 32.1 secs Computing kpt #: 64 total cpu time spent up to now is 32.6 secs Computing kpt #: 65 total cpu time spent up to now is 33.0 secs Computing kpt #: 66 total cpu time spent up to now is 33.5 secs Computing kpt #: 67 total cpu time spent up to now is 33.9 secs Computing kpt #: 68 total cpu time spent up to now is 34.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.8 secs Computing kpt #: 70 total cpu time spent up to now is 35.3 secs Computing kpt #: 71 total cpu time spent up to now is 35.7 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.8 secs Computing kpt #: 74 total cpu time spent up to now is 37.3 secs Computing kpt #: 75 total cpu time spent up to now is 37.7 secs Computing kpt #: 76 total cpu time spent up to now is 38.2 secs Computing kpt #: 77 total cpu time spent up to now is 38.6 secs Computing kpt #: 78 total cpu time spent up to now is 39.1 secs Computing kpt #: 79 total cpu time spent up to now is 39.5 secs Computing kpt #: 80 total cpu time spent up to now is 40.0 secs Computing kpt #: 81 total cpu time spent up to now is 40.4 secs Computing kpt #: 82 total cpu time spent up to now is 40.8 secs Computing kpt #: 83 total cpu time spent up to now is 41.3 secs Computing kpt #: 84 total cpu time spent up to now is 41.7 secs Computing kpt #: 85 total cpu time spent up to now is 42.2 secs Computing kpt #: 86 total cpu time spent up to now is 42.6 secs Computing kpt #: 87 total cpu time spent up to now is 43.1 secs Computing kpt #: 88 total cpu time spent up to now is 43.7 secs Computing kpt #: 89 total cpu time spent up to now is 44.7 secs Computing kpt #: 90 total cpu time spent up to now is 45.9 secs Computing kpt #: 91 total cpu time spent up to now is 46.9 secs Computing kpt #: 92 total cpu time spent up to now is 47.6 secs Computing kpt #: 93 total cpu time spent up to now is 48.3 secs Computing kpt #: 94 total cpu time spent up to now is 49.0 secs Computing kpt #: 95 total cpu time spent up to now is 49.7 secs Computing kpt #: 96 total cpu time spent up to now is 50.4 secs Computing kpt #: 97 total cpu time spent up to now is 51.1 secs Computing kpt #: 98 total cpu time spent up to now is 52.0 secs Computing kpt #: 99 total cpu time spent up to now is 52.9 secs Computing kpt #: 100 total cpu time spent up to now is 53.8 secs Computing kpt #: 101 total cpu time spent up to now is 54.7 secs Computing kpt #: 102 total cpu time spent up to now is 55.6 secs Computing kpt #: 103 total cpu time spent up to now is 56.4 secs Computing kpt #: 104 total cpu time spent up to now is 57.1 secs Computing kpt #: 105 total cpu time spent up to now is 58.1 secs Computing kpt #: 106 total cpu time spent up to now is 59.0 secs Computing kpt #: 107 total cpu time spent up to now is 59.9 secs Computing kpt #: 108 total cpu time spent up to now is 60.8 secs Computing kpt #: 109 total cpu time spent up to now is 61.5 secs Computing kpt #: 110 total cpu time spent up to now is 62.2 secs Computing kpt #: 111 total cpu time spent up to now is 62.9 secs Computing kpt #: 112 total cpu time spent up to now is 63.8 secs Computing kpt #: 113 total cpu time spent up to now is 64.4 secs Computing kpt #: 114 total cpu time spent up to now is 65.0 secs Computing kpt #: 115 total cpu time spent up to now is 65.7 secs Computing kpt #: 116 total cpu time spent up to now is 66.3 secs Computing kpt #: 117 total cpu time spent up to now is 66.9 secs Computing kpt #: 118 total cpu time spent up to now is 67.5 secs Computing kpt #: 119 total cpu time spent up to now is 68.1 secs Computing kpt #: 120 total cpu time spent up to now is 68.6 secs Computing kpt #: 121 total cpu time spent up to now is 69.1 secs Computing kpt #: 122 total cpu time spent up to now is 69.6 secs Computing kpt #: 123 total cpu time spent up to now is 70.1 secs Computing kpt #: 124 total cpu time spent up to now is 70.6 secs Computing kpt #: 125 total cpu time spent up to now is 71.1 secs Computing kpt #: 126 total cpu time spent up to now is 71.9 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.8 secs Computing kpt #: 129 total cpu time spent up to now is 73.2 secs Computing kpt #: 130 total cpu time spent up to now is 73.7 secs Computing kpt #: 131 total cpu time spent up to now is 74.2 secs Computing kpt #: 132 total cpu time spent up to now is 74.6 secs Computing kpt #: 133 total cpu time spent up to now is 75.1 secs Computing kpt #: 134 total cpu time spent up to now is 75.5 secs Computing kpt #: 135 total cpu time spent up to now is 76.0 secs Computing kpt #: 136 total cpu time spent up to now is 76.4 secs Computing kpt #: 137 total cpu time spent up to now is 76.8 secs Computing kpt #: 138 total cpu time spent up to now is 77.3 secs Computing kpt #: 139 total cpu time spent up to now is 77.7 secs Computing kpt #: 140 total cpu time spent up to now is 78.1 secs Computing kpt #: 141 total cpu time spent up to now is 78.6 secs Computing kpt #: 142 total cpu time spent up to now is 79.0 secs Computing kpt #: 143 total cpu time spent up to now is 79.5 secs Computing kpt #: 144 total cpu time spent up to now is 79.9 secs Computing kpt #: 145 total cpu time spent up to now is 80.4 secs Computing kpt #: 146 total cpu time spent up to now is 80.8 secs Computing kpt #: 147 total cpu time spent up to now is 81.2 secs Computing kpt #: 148 total cpu time spent up to now is 81.7 secs Computing kpt #: 149 total cpu time spent up to now is 82.1 secs Computing kpt #: 150 total cpu time spent up to now is 82.5 secs Computing kpt #: 151 total cpu time spent up to now is 83.0 secs Computing kpt #: 152 total cpu time spent up to now is 83.4 secs Computing kpt #: 153 total cpu time spent up to now is 83.8 secs Computing kpt #: 154 total cpu time spent up to now is 84.2 secs Computing kpt #: 155 total cpu time spent up to now is 84.6 secs Computing kpt #: 156 total cpu time spent up to now is 85.1 secs Computing kpt #: 157 total cpu time spent up to now is 85.5 secs Computing kpt #: 158 total cpu time spent up to now is 85.9 secs Computing kpt #: 159 total cpu time spent up to now is 86.3 secs Computing kpt #: 160 total cpu time spent up to now is 86.7 secs Computing kpt #: 161 total cpu time spent up to now is 87.1 secs Computing kpt #: 162 total cpu time spent up to now is 87.5 secs Computing kpt #: 163 total cpu time spent up to now is 88.0 secs Computing kpt #: 164 total cpu time spent up to now is 88.4 secs Computing kpt #: 165 total cpu time spent up to now is 88.9 secs Computing kpt #: 166 total cpu time spent up to now is 89.3 secs Computing kpt #: 167 total cpu time spent up to now is 89.8 secs Computing kpt #: 168 total cpu time spent up to now is 90.4 secs Computing kpt #: 169 total cpu time spent up to now is 91.0 secs Computing kpt #: 170 total cpu time spent up to now is 91.5 secs Computing kpt #: 171 total cpu time spent up to now is 92.0 secs Computing kpt #: 172 total cpu time spent up to now is 92.4 secs Computing kpt #: 173 total cpu time spent up to now is 92.9 secs Computing kpt #: 174 total cpu time spent up to now is 93.3 secs Computing kpt #: 175 total cpu time spent up to now is 93.8 secs Computing kpt #: 176 total cpu time spent up to now is 94.2 secs Computing kpt #: 177 total cpu time spent up to now is 94.6 secs Computing kpt #: 178 total cpu time spent up to now is 95.0 secs Computing kpt #: 179 total cpu time spent up to now is 95.4 secs Computing kpt #: 180 total cpu time spent up to now is 95.8 secs Computing kpt #: 181 total cpu time spent up to now is 96.3 secs Computing kpt #: 182 total cpu time spent up to now is 96.7 secs Computing kpt #: 183 total cpu time spent up to now is 97.1 secs Computing kpt #: 184 total cpu time spent up to now is 97.6 secs Computing kpt #: 185 total cpu time spent up to now is 98.0 secs Computing kpt #: 186 total cpu time spent up to now is 98.4 secs Computing kpt #: 187 total cpu time spent up to now is 98.9 secs Computing kpt #: 188 total cpu time spent up to now is 99.3 secs Computing kpt #: 189 total cpu time spent up to now is 99.7 secs Computing kpt #: 190 total cpu time spent up to now is 100.2 secs Computing kpt #: 191 total cpu time spent up to now is 100.6 secs Computing kpt #: 192 total cpu time spent up to now is 101.0 secs Computing kpt #: 193 total cpu time spent up to now is 101.5 secs Computing kpt #: 194 total cpu time spent up to now is 102.0 secs Computing kpt #: 195 total cpu time spent up to now is 102.4 secs Computing kpt #: 196 total cpu time spent up to now is 102.9 secs Computing kpt #: 197 total cpu time spent up to now is 103.5 secs Computing kpt #: 198 total cpu time spent up to now is 104.4 secs Computing kpt #: 199 total cpu time spent up to now is 104.8 secs Computing kpt #: 200 total cpu time spent up to now is 105.6 secs Computing kpt #: 201 total cpu time spent up to now is 106.6 secs Computing kpt #: 202 total cpu time spent up to now is 107.4 secs Computing kpt #: 203 total cpu time spent up to now is 108.3 secs Computing kpt #: 204 total cpu time spent up to now is 109.2 secs Computing kpt #: 205 total cpu time spent up to now is 110.1 secs Computing kpt #: 206 total cpu time spent up to now is 111.0 secs Computing kpt #: 207 total cpu time spent up to now is 112.0 secs Computing kpt #: 208 total cpu time spent up to now is 112.6 secs Computing kpt #: 209 total cpu time spent up to now is 113.5 secs Computing kpt #: 210 total cpu time spent up to now is 114.4 secs Computing kpt #: 211 total cpu time spent up to now is 115.1 secs Computing kpt #: 212 total cpu time spent up to now is 115.8 secs Computing kpt #: 213 total cpu time spent up to now is 116.5 secs Computing kpt #: 214 total cpu time spent up to now is 117.2 secs Computing kpt #: 215 total cpu time spent up to now is 117.8 secs Computing kpt #: 216 total cpu time spent up to now is 118.6 secs Computing kpt #: 217 total cpu time spent up to now is 119.5 secs Computing kpt #: 218 total cpu time spent up to now is 120.5 secs Computing kpt #: 219 total cpu time spent up to now is 121.4 secs Computing kpt #: 220 total cpu time spent up to now is 122.6 secs Computing kpt #: 221 total cpu time spent up to now is 123.2 secs Computing kpt #: 222 total cpu time spent up to now is 123.8 secs Computing kpt #: 223 total cpu time spent up to now is 124.3 secs Computing kpt #: 224 total cpu time spent up to now is 124.9 secs Computing kpt #: 225 total cpu time spent up to now is 125.4 secs Computing kpt #: 226 total cpu time spent up to now is 125.7 secs Computing kpt #: 227 total cpu time spent up to now is 126.1 secs Computing kpt #: 228 total cpu time spent up to now is 126.5 secs Computing kpt #: 229 total cpu time spent up to now is 127.0 secs Computing kpt #: 230 total cpu time spent up to now is 127.4 secs Computing kpt #: 231 total cpu time spent up to now is 127.8 secs Computing kpt #: 232 total cpu time spent up to now is 128.2 secs Computing kpt #: 233 total cpu time spent up to now is 128.6 secs Computing kpt #: 234 total cpu time spent up to now is 129.1 secs Computing kpt #: 235 total cpu time spent up to now is 129.5 secs Computing kpt #: 236 total cpu time spent up to now is 129.9 secs Computing kpt #: 237 total cpu time spent up to now is 130.4 secs Computing kpt #: 238 total cpu time spent up to now is 130.8 secs Computing kpt #: 239 total cpu time spent up to now is 131.2 secs Computing kpt #: 240 total cpu time spent up to now is 131.6 secs Computing kpt #: 241 total cpu time spent up to now is 132.0 secs Computing kpt #: 242 total cpu time spent up to now is 132.5 secs Computing kpt #: 243 total cpu time spent up to now is 132.9 secs Computing kpt #: 244 total cpu time spent up to now is 133.3 secs Computing kpt #: 245 total cpu time spent up to now is 133.8 secs Computing kpt #: 246 total cpu time spent up to now is 134.2 secs Computing kpt #: 247 total cpu time spent up to now is 134.6 secs Computing kpt #: 248 total cpu time spent up to now is 135.1 secs Computing kpt #: 249 total cpu time spent up to now is 135.5 secs Computing kpt #: 250 total cpu time spent up to now is 136.0 secs Computing kpt #: 251 total cpu time spent up to now is 136.4 secs Computing kpt #: 252 total cpu time spent up to now is 136.8 secs Computing kpt #: 253 total cpu time spent up to now is 137.2 secs Computing kpt #: 254 total cpu time spent up to now is 137.6 secs Computing kpt #: 255 total cpu time spent up to now is 138.0 secs Computing kpt #: 256 total cpu time spent up to now is 138.5 secs Computing kpt #: 257 total cpu time spent up to now is 139.0 secs Computing kpt #: 258 total cpu time spent up to now is 139.6 secs Computing kpt #: 259 total cpu time spent up to now is 140.0 secs Computing kpt #: 260 total cpu time spent up to now is 140.7 secs Computing kpt #: 261 total cpu time spent up to now is 141.7 secs Computing kpt #: 262 total cpu time spent up to now is 142.6 secs Computing kpt #: 263 total cpu time spent up to now is 143.5 secs Computing kpt #: 264 total cpu time spent up to now is 144.2 secs Computing kpt #: 265 total cpu time spent up to now is 144.9 secs Computing kpt #: 266 total cpu time spent up to now is 145.6 secs Computing kpt #: 267 total cpu time spent up to now is 146.2 secs Computing kpt #: 268 total cpu time spent up to now is 146.9 secs Computing kpt #: 269 total cpu time spent up to now is 147.6 secs Computing kpt #: 270 total cpu time spent up to now is 148.3 secs Computing kpt #: 271 total cpu time spent up to now is 149.2 secs Computing kpt #: 272 total cpu time spent up to now is 150.1 secs Computing kpt #: 273 total cpu time spent up to now is 151.0 secs Computing kpt #: 274 total cpu time spent up to now is 151.9 secs Computing kpt #: 275 total cpu time spent up to now is 152.7 secs Computing kpt #: 276 total cpu time spent up to now is 153.7 secs Computing kpt #: 277 total cpu time spent up to now is 154.6 secs Computing kpt #: 278 total cpu time spent up to now is 155.5 secs Computing kpt #: 279 total cpu time spent up to now is 156.4 secs Computing kpt #: 280 total cpu time spent up to now is 157.2 secs Computing kpt #: 281 total cpu time spent up to now is 157.7 secs Computing kpt #: 282 total cpu time spent up to now is 158.3 secs Computing kpt #: 283 total cpu time spent up to now is 159.3 secs Computing kpt #: 284 total cpu time spent up to now is 159.9 secs Computing kpt #: 285 total cpu time spent up to now is 160.4 secs Computing kpt #: 286 total cpu time spent up to now is 160.9 secs Computing kpt #: 287 total cpu time spent up to now is 161.3 secs Computing kpt #: 288 total cpu time spent up to now is 161.8 secs Computing kpt #: 289 total cpu time spent up to now is 162.2 secs Computing kpt #: 290 total cpu time spent up to now is 162.7 secs Computing kpt #: 291 total cpu time spent up to now is 163.1 secs Computing kpt #: 292 total cpu time spent up to now is 163.5 secs Computing kpt #: 293 total cpu time spent up to now is 164.0 secs Computing kpt #: 294 total cpu time spent up to now is 164.4 secs Computing kpt #: 295 total cpu time spent up to now is 164.9 secs Computing kpt #: 296 total cpu time spent up to now is 165.3 secs Computing kpt #: 297 total cpu time spent up to now is 165.8 secs Computing kpt #: 298 total cpu time spent up to now is 166.4 secs Computing kpt #: 299 total cpu time spent up to now is 166.9 secs Computing kpt #: 300 total cpu time spent up to now is 167.4 secs Computing kpt #: 301 total cpu time spent up to now is 168.0 secs Computing kpt #: 302 total cpu time spent up to now is 168.5 secs Computing kpt #: 303 total cpu time spent up to now is 169.0 secs Computing kpt #: 304 total cpu time spent up to now is 169.5 secs Computing kpt #: 305 total cpu time spent up to now is 170.2 secs Computing kpt #: 306 total cpu time spent up to now is 170.7 secs Computing kpt #: 307 total cpu time spent up to now is 171.1 secs Computing kpt #: 308 total cpu time spent up to now is 171.5 secs Computing kpt #: 309 total cpu time spent up to now is 172.0 secs Computing kpt #: 310 total cpu time spent up to now is 172.4 secs Computing kpt #: 311 total cpu time spent up to now is 172.8 secs Computing kpt #: 312 total cpu time spent up to now is 173.2 secs Computing kpt #: 313 total cpu time spent up to now is 173.6 secs Computing kpt #: 314 total cpu time spent up to now is 174.0 secs Computing kpt #: 315 total cpu time spent up to now is 174.5 secs Computing kpt #: 316 total cpu time spent up to now is 174.9 secs Computing kpt #: 317 total cpu time spent up to now is 175.3 secs Computing kpt #: 318 total cpu time spent up to now is 175.7 secs Computing kpt #: 319 total cpu time spent up to now is 176.1 secs Computing kpt #: 320 total cpu time spent up to now is 176.6 secs Computing kpt #: 321 total cpu time spent up to now is 177.1 secs Computing kpt #: 322 total cpu time spent up to now is 177.5 secs Computing kpt #: 323 total cpu time spent up to now is 177.9 secs Computing kpt #: 324 total cpu time spent up to now is 178.3 secs Computing kpt #: 325 total cpu time spent up to now is 178.7 secs Computing kpt #: 326 total cpu time spent up to now is 179.2 secs Computing kpt #: 327 total cpu time spent up to now is 179.6 secs Computing kpt #: 328 total cpu time spent up to now is 180.0 secs Computing kpt #: 329 total cpu time spent up to now is 180.4 secs Computing kpt #: 330 total cpu time spent up to now is 180.9 secs Computing kpt #: 331 total cpu time spent up to now is 181.3 secs Computing kpt #: 332 total cpu time spent up to now is 181.7 secs Computing kpt #: 333 total cpu time spent up to now is 182.1 secs Computing kpt #: 334 total cpu time spent up to now is 182.6 secs Computing kpt #: 335 total cpu time spent up to now is 183.0 secs Computing kpt #: 336 total cpu time spent up to now is 183.4 secs Computing kpt #: 337 total cpu time spent up to now is 183.9 secs Computing kpt #: 338 total cpu time spent up to now is 184.4 secs Computing kpt #: 339 total cpu time spent up to now is 184.8 secs Computing kpt #: 340 total cpu time spent up to now is 185.4 secs Computing kpt #: 341 total cpu time spent up to now is 186.0 secs Computing kpt #: 342 total cpu time spent up to now is 186.6 secs Computing kpt #: 343 total cpu time spent up to now is 187.2 secs Computing kpt #: 344 total cpu time spent up to now is 187.7 secs Computing kpt #: 345 total cpu time spent up to now is 188.2 secs Computing kpt #: 346 total cpu time spent up to now is 188.6 secs Computing kpt #: 347 total cpu time spent up to now is 189.2 secs Computing kpt #: 348 total cpu time spent up to now is 189.6 secs Computing kpt #: 349 total cpu time spent up to now is 190.1 secs Computing kpt #: 350 total cpu time spent up to now is 190.5 secs Computing kpt #: 351 total cpu time spent up to now is 191.0 secs Computing kpt #: 352 total cpu time spent up to now is 191.4 secs Computing kpt #: 353 total cpu time spent up to now is 191.9 secs Computing kpt #: 354 total cpu time spent up to now is 192.3 secs Computing kpt #: 355 total cpu time spent up to now is 192.8 secs Computing kpt #: 356 total cpu time spent up to now is 193.3 secs Computing kpt #: 357 total cpu time spent up to now is 193.7 secs Computing kpt #: 358 total cpu time spent up to now is 194.2 secs Computing kpt #: 359 total cpu time spent up to now is 194.6 secs Computing kpt #: 360 total cpu time spent up to now is 195.1 secs Computing kpt #: 361 total cpu time spent up to now is 195.5 secs Computing kpt #: 362 total cpu time spent up to now is 196.0 secs Computing kpt #: 363 total cpu time spent up to now is 196.5 secs Computing kpt #: 364 total cpu time spent up to now is 196.9 secs Computing kpt #: 365 total cpu time spent up to now is 197.4 secs Computing kpt #: 366 total cpu time spent up to now is 197.8 secs Computing kpt #: 367 total cpu time spent up to now is 198.3 secs Computing kpt #: 368 total cpu time spent up to now is 198.7 secs Computing kpt #: 369 total cpu time spent up to now is 199.2 secs Computing kpt #: 370 total cpu time spent up to now is 199.6 secs Computing kpt #: 371 total cpu time spent up to now is 200.1 secs Computing kpt #: 372 total cpu time spent up to now is 200.5 secs ethr = 2.94E-08, avg # of iterations = 20.8 total cpu time spent up to now is 200.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13689 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7368 -3.7368 -3.7342 -3.7342 -3.5780 -3.5780 -3.5327 -3.5327 -2.7246 -2.7246 -2.7196 -2.7196 -2.0215 -2.0215 -2.0152 -2.0152 -1.5105 -1.5105 -1.5100 -1.5100 0.4376 0.4376 k = 0.0089-0.0000-0.0000 ( 13687 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4251 -46.4251 -46.4250 -46.4250 -46.3905 -46.3905 -46.3904 -46.3904 -6.2836 -6.2836 -6.2797 -6.2797 -3.7366 -3.7366 -3.7340 -3.7340 -3.5775 -3.5775 -3.5322 -3.5322 -2.7242 -2.7242 -2.7192 -2.7192 -2.0244 -2.0244 -2.0182 -2.0182 -1.5137 -1.5137 -1.5134 -1.5134 0.4410 0.4410 k = 0.0179-0.0000-0.0000 ( 13705 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9484 -59.9484 -59.9483 -59.9483 -46.4256 -46.4256 -46.4256 -46.4256 -46.3904 -46.3904 -46.3904 -46.3904 -6.2748 -6.2748 -6.2709 -6.2709 -3.7360 -3.7360 -3.7334 -3.7334 -3.5760 -3.5760 -3.5308 -3.5308 -2.7231 -2.7231 -2.7181 -2.7181 -2.0332 -2.0332 -2.0271 -2.0271 -1.5234 -1.5234 -1.5233 -1.5233 0.4511 0.4511 k = 0.0268-0.0000-0.0000 ( 13695 PWs) bands (ev): -93.1111 -93.1111 -93.1110 -93.1110 -59.9485 -59.9485 -59.9484 -59.9484 -46.4264 -46.4264 -46.4264 -46.4264 -46.3903 -46.3903 -46.3902 -46.3902 -6.2601 -6.2601 -6.2563 -6.2563 -3.7351 -3.7351 -3.7325 -3.7325 -3.5735 -3.5735 -3.5285 -3.5285 -2.7212 -2.7212 -2.7162 -2.7162 -2.0476 -2.0476 -2.0417 -2.0417 -1.5396 -1.5396 -1.5393 -1.5393 0.4678 0.4678 k = 0.0357-0.0000-0.0000 ( 13683 PWs) bands (ev): -93.1110 -93.1110 -93.1110 -93.1110 -59.9487 -59.9487 -59.9487 -59.9487 -46.4275 -46.4275 -46.4275 -46.4275 -46.3901 -46.3901 -46.3901 -46.3901 -6.2396 -6.2396 -6.2357 -6.2357 -3.7338 -3.7338 -3.7312 -3.7312 -3.5701 -3.5701 -3.5253 -3.5253 -2.7185 -2.7185 -2.7136 -2.7136 -2.0674 -2.0674 -2.0616 -2.0616 -1.5619 -1.5619 -1.5612 -1.5612 0.4908 0.4908 k = 0.0446-0.0000-0.0000 ( 13683 PWs) bands (ev): -93.1109 -93.1109 -93.1109 -93.1109 -59.9490 -59.9490 -59.9489 -59.9489 -46.4290 -46.4290 -46.4290 -46.4290 -46.3899 -46.3899 -46.3899 -46.3899 -6.2132 -6.2132 -6.2093 -6.2093 -3.7322 -3.7322 -3.7296 -3.7296 -3.5657 -3.5657 -3.5212 -3.5212 -2.7151 -2.7151 -2.7102 -2.7102 -2.0921 -2.0921 -2.0867 -2.0867 -1.5900 -1.5900 -1.5887 -1.5887 0.5198 0.5198 k = 0.0536-0.0000-0.0000 ( 13681 PWs) bands (ev): -93.1108 -93.1108 -93.1108 -93.1108 -59.9493 -59.9493 -59.9492 -59.9492 -46.4308 -46.4308 -46.4308 -46.4308 -46.3896 -46.3896 -46.3896 -46.3896 -6.1811 -6.1811 -6.1771 -6.1771 -3.7302 -3.7302 -3.7277 -3.7277 -3.5605 -3.5605 -3.5164 -3.5164 -2.7109 -2.7109 -2.7060 -2.7060 -2.1215 -2.1215 -2.1163 -2.1163 -1.6234 -1.6234 -1.6215 -1.6215 0.5544 0.5544 k = 0.0625-0.0000-0.0000 ( 13691 PWs) bands (ev): -93.1107 -93.1107 -93.1107 -93.1107 -59.9497 -59.9497 -59.9496 -59.9496 -46.4329 -46.4329 -46.4329 -46.4329 -46.3893 -46.3893 -46.3893 -46.3893 -6.1431 -6.1431 -6.1392 -6.1392 -3.7280 -3.7280 -3.7255 -3.7255 -3.5544 -3.5544 -3.5109 -3.5109 -2.7060 -2.7060 -2.7012 -2.7012 -2.1549 -2.1549 -2.1499 -2.1499 -1.6616 -1.6616 -1.6591 -1.6591 0.5942 0.5942 k = 0.0714-0.0000-0.0000 ( 13689 PWs) bands (ev): -93.1106 -93.1106 -93.1106 -93.1106 -59.9501 -59.9501 -59.9500 -59.9500 -46.4353 -46.4353 -46.4353 -46.4353 -46.3890 -46.3890 -46.3889 -46.3889 -6.0994 -6.0994 -6.0955 -6.0955 -3.7254 -3.7254 -3.7230 -3.7230 -3.5477 -3.5477 -3.5048 -3.5048 -2.7004 -2.7004 -2.6956 -2.6956 -2.1918 -2.1918 -2.1870 -2.1870 -1.7040 -1.7040 -1.7009 -1.7009 0.6388 0.6388 k = 0.0804-0.0000-0.0000 ( 13697 PWs) bands (ev): -93.1104 -93.1104 -93.1104 -93.1104 -59.9506 -59.9506 -59.9505 -59.9505 -46.4380 -46.4380 -46.4380 -46.4380 -46.3886 -46.3886 -46.3885 -46.3885 -6.0500 -6.0500 -6.0460 -6.0460 -3.7227 -3.7227 -3.7203 -3.7203 -3.5404 -3.5404 -3.4983 -3.4983 -2.6941 -2.6941 -2.6893 -2.6893 -2.2318 -2.2318 -2.2270 -2.2270 -1.7501 -1.7501 -1.7466 -1.7466 0.6878 0.6878 k = 0.0893-0.0000-0.0000 ( 13683 PWs) bands (ev): -93.1103 -93.1103 -93.1102 -93.1102 -59.9511 -59.9511 -59.9510 -59.9510 -46.4410 -46.4410 -46.4410 -46.4410 -46.3881 -46.3881 -46.3881 -46.3881 -5.9949 -5.9949 -5.9909 -5.9909 -3.7198 -3.7198 -3.7174 -3.7174 -3.5327 -3.5327 -3.4914 -3.4914 -2.6871 -2.6871 -2.6824 -2.6824 -2.2741 -2.2741 -2.2692 -2.2692 -1.7995 -1.7995 -1.7955 -1.7955 0.7409 0.7409 k = 0.0982-0.0000-0.0000 ( 13691 PWs) bands (ev): -93.1101 -93.1101 -93.1101 -93.1101 -59.9517 -59.9517 -59.9516 -59.9516 -46.4442 -46.4442 -46.4442 -46.4442 -46.3876 -46.3876 -46.3876 -46.3876 -5.9343 -5.9343 -5.9302 -5.9302 -3.7167 -3.7167 -3.7143 -3.7143 -3.5248 -3.5248 -3.4844 -3.4844 -2.6794 -2.6794 -2.6748 -2.6748 -2.3182 -2.3182 -2.3132 -2.3132 -1.8516 -1.8516 -1.8473 -1.8473 0.7976 0.7976 k = 0.1071-0.0000-0.0000 ( 13701 PWs) bands (ev): -93.1099 -93.1099 -93.1099 -93.1099 -59.9523 -59.9523 -59.9523 -59.9523 -46.4478 -46.4478 -46.4478 -46.4478 -46.3871 -46.3871 -46.3871 -46.3871 -5.8680 -5.8680 -5.8639 -5.8639 -3.7135 -3.7135 -3.7112 -3.7112 -3.5167 -3.5167 -3.4775 -3.4775 -2.6711 -2.6711 -2.6665 -2.6665 -2.3635 -2.3635 -2.3581 -2.3581 -1.9060 -1.9060 -1.9013 -1.9013 0.8577 0.8577 k = 0.1161-0.0000-0.0000 ( 13699 PWs) bands (ev): -93.1097 -93.1097 -93.1097 -93.1097 -59.9530 -59.9530 -59.9529 -59.9529 -46.4515 -46.4515 -46.4515 -46.4515 -46.3866 -46.3866 -46.3865 -46.3865 -5.7963 -5.7963 -5.7921 -5.7921 -3.7103 -3.7103 -3.7081 -3.7081 -3.5089 -3.5089 -3.4709 -3.4709 -2.6621 -2.6621 -2.6576 -2.6576 -2.4093 -2.4093 -2.4033 -2.4033 -1.9621 -1.9621 -1.9573 -1.9573 0.9208 0.9208 k = 0.1250-0.0000-0.0000 ( 13703 PWs) bands (ev): -93.1095 -93.1095 -93.1094 -93.1094 -59.9537 -59.9537 -59.9537 -59.9537 -46.4556 -46.4556 -46.4556 -46.4556 -46.3860 -46.3860 -46.3859 -46.3859 -5.7192 -5.7192 -5.7150 -5.7150 -3.7071 -3.7071 -3.7050 -3.7050 -3.5016 -3.5016 -3.4650 -3.4650 -2.6525 -2.6525 -2.6482 -2.6482 -2.4550 -2.4550 -2.4483 -2.4483 -2.0197 -2.0197 -2.0147 -2.0147 0.9868 0.9868 k = 0.1339-0.0000-0.0000 ( 13719 PWs) bands (ev): -93.1092 -93.1092 -93.1092 -93.1092 -59.9545 -59.9545 -59.9544 -59.9544 -46.4598 -46.4598 -46.4598 -46.4598 -46.3853 -46.3853 -46.3853 -46.3853 -5.6368 -5.6368 -5.6325 -5.6325 -3.7041 -3.7041 -3.7020 -3.7020 -3.4950 -3.4950 -3.4600 -3.4600 -2.6424 -2.6424 -2.6382 -2.6382 -2.4999 -2.4999 -2.4922 -2.4922 -2.0782 -2.0782 -2.0731 -2.0731 1.0554 1.0554 k = 0.1429-0.0000-0.0000 ( 13707 PWs) bands (ev): -93.1090 -93.1090 -93.1090 -93.1090 -59.9553 -59.9553 -59.9552 -59.9552 -46.4643 -46.4643 -46.4643 -46.4643 -46.3847 -46.3847 -46.3847 -46.3847 -5.5492 -5.5492 -5.5449 -5.5449 -3.7012 -3.7012 -3.6992 -3.6992 -3.4897 -3.4897 -3.4565 -3.4565 -2.6318 -2.6318 -2.6277 -2.6277 -2.5432 -2.5432 -2.5342 -2.5342 -2.1373 -2.1373 -2.1322 -2.1322 1.1265 1.1265 k = 0.1518-0.0000-0.0000 ( 13705 PWs) bands (ev): -93.1087 -93.1087 -93.1087 -93.1087 -59.9561 -59.9561 -59.9561 -59.9561 -46.4689 -46.4689 -46.4689 -46.4689 -46.3840 -46.3840 -46.3840 -46.3840 -5.4565 -5.4565 -5.4522 -5.4522 -3.6987 -3.6987 -3.6968 -3.6968 -3.4860 -3.4860 -3.4548 -3.4548 -2.6207 -2.6207 -2.6170 -2.6170 -2.5841 -2.5841 -2.5735 -2.5735 -2.1965 -2.1965 -2.1915 -2.1915 1.1999 1.1999 k = 0.1607-0.0000-0.0000 ( 13705 PWs) bands (ev): -93.1084 -93.1084 -93.1084 -93.1084 -59.9570 -59.9570 -59.9569 -59.9569 -46.4738 -46.4738 -46.4738 -46.4738 -46.3833 -46.3833 -46.3832 -46.3832 -5.3589 -5.3589 -5.3546 -5.3546 -3.6965 -3.6965 -3.6947 -3.6947 -3.4844 -3.4844 -3.4554 -3.4554 -2.6227 -2.6227 -2.6140 -2.6140 -2.6083 -2.6083 -2.6013 -2.6013 -2.2557 -2.2557 -2.2507 -2.2507 1.2755 1.2755 k = 0.1696-0.0000-0.0000 ( 13697 PWs) bands (ev): -93.1082 -93.1082 -93.1081 -93.1081 -59.9579 -59.9579 -59.9578 -59.9578 -46.4788 -46.4788 -46.4788 -46.4788 -46.3825 -46.3825 -46.3825 -46.3825 -5.2566 -5.2566 -5.2523 -5.2523 -3.6949 -3.6949 -3.6932 -3.6932 -3.4853 -3.4853 -3.4587 -3.4587 -2.6566 -2.6566 -2.6435 -2.6435 -2.5966 -2.5966 -2.5920 -2.5920 -2.3143 -2.3143 -2.3095 -2.3095 1.3532 1.3532 k = 0.1786-0.0000-0.0000 ( 13689 PWs) bands (ev): -93.1079 -93.1079 -93.1079 -93.1079 -59.9588 -59.9588 -59.9588 -59.9588 -46.4840 -46.4840 -46.4840 -46.4840 -46.3817 -46.3817 -46.3817 -46.3817 -5.1499 -5.1499 -5.1456 -5.1456 -3.6940 -3.6940 -3.6924 -3.6924 -3.4892 -3.4892 -3.4650 -3.4650 -2.6862 -2.6862 -2.6709 -2.6709 -2.5840 -2.5840 -2.5797 -2.5797 -2.3720 -2.3720 -2.3674 -2.3674 1.4330 1.4330 k = 0.1875-0.0000-0.0000 ( 13669 PWs) bands (ev): -93.1076 -93.1076 -93.1076 -93.1076 -59.9597 -59.9597 -59.9597 -59.9597 -46.4893 -46.4893 -46.4892 -46.4892 -46.3809 -46.3809 -46.3809 -46.3809 -5.0391 -5.0391 -5.0348 -5.0348 -3.6939 -3.6939 -3.6924 -3.6924 -3.4960 -3.4960 -3.4744 -3.4744 -2.7107 -2.7107 -2.6932 -2.6932 -2.5711 -2.5711 -2.5670 -2.5670 -2.4286 -2.4286 -2.4242 -2.4242 1.5146 1.5146 k = 0.1964-0.0000-0.0000 ( 13669 PWs) bands (ev): -93.1073 -93.1073 -93.1073 -93.1073 -59.9607 -59.9607 -59.9607 -59.9607 -46.4947 -46.4947 -46.4947 -46.4947 -46.3801 -46.3801 -46.3801 -46.3801 -4.9247 -4.9247 -4.9205 -4.9205 -3.6948 -3.6948 -3.6934 -3.6934 -3.5059 -3.5059 -3.4868 -3.4868 -2.7296 -2.7296 -2.7101 -2.7101 -2.5578 -2.5578 -2.5538 -2.5538 -2.4837 -2.4837 -2.4796 -2.4796 1.5982 1.5982 k = 0.2054-0.0000-0.0000 ( 13665 PWs) bands (ev): -93.1069 -93.1069 -93.1069 -93.1069 -59.9617 -59.9617 -59.9617 -59.9617 -46.5002 -46.5002 -46.5002 -46.5002 -46.3793 -46.3793 -46.3793 -46.3793 -4.8072 -4.8072 -4.8032 -4.8032 -3.6968 -3.6968 -3.6956 -3.6956 -3.5183 -3.5183 -3.5015 -3.5015 -2.7428 -2.7428 -2.7213 -2.7213 -2.5443 -2.5443 -2.5405 -2.5405 -2.5368 -2.5368 -2.5331 -2.5331 1.6837 1.6837 k = 0.2143-0.0000-0.0000 ( 13673 PWs) bands (ev): -93.1066 -93.1066 -93.1066 -93.1066 -59.9627 -59.9627 -59.9627 -59.9627 -46.5058 -46.5058 -46.5058 -46.5058 -46.3785 -46.3785 -46.3784 -46.3784 -4.6878 -4.6878 -4.6840 -4.6840 -3.7002 -3.7002 -3.6991 -3.6991 -3.5322 -3.5322 -3.5173 -3.5173 -2.7503 -2.7503 -2.7270 -2.7270 -2.5882 -2.5882 -2.5846 -2.5846 -2.5304 -2.5304 -2.5266 -2.5266 1.7710 1.7710 k = 0.2232-0.0000-0.0000 ( 13649 PWs) bands (ev): -93.1063 -93.1063 -93.1063 -93.1063 -59.9637 -59.9637 -59.9637 -59.9637 -46.5115 -46.5115 -46.5115 -46.5115 -46.3776 -46.3776 -46.3776 -46.3776 -4.5679 -4.5679 -4.5644 -4.5644 -3.7050 -3.7050 -3.7041 -3.7041 -3.5457 -3.5457 -3.5325 -3.5325 -2.7523 -2.7523 -2.7275 -2.7275 -2.6369 -2.6369 -2.6336 -2.6336 -2.5163 -2.5163 -2.5126 -2.5126 1.8601 1.8601 k = 0.2321-0.0000-0.0000 ( 13653 PWs) bands (ev): -93.1060 -93.1060 -93.1060 -93.1060 -59.9648 -59.9648 -59.9648 -59.9648 -46.5172 -46.5172 -46.5172 -46.5172 -46.3767 -46.3767 -46.3767 -46.3767 -4.4499 -4.4499 -4.4470 -4.4470 -3.7116 -3.7116 -3.7108 -3.7108 -3.5561 -3.5561 -3.5441 -3.5441 -2.7493 -2.7493 -2.7234 -2.7234 -2.6828 -2.6828 -2.6798 -2.6798 -2.5020 -2.5020 -2.4984 -2.4984 1.9510 1.9510 k = 0.2411-0.0000-0.0000 ( 13653 PWs) bands (ev): -93.1057 -93.1057 -93.1057 -93.1057 -59.9658 -59.9658 -59.9658 -59.9658 -46.5229 -46.5229 -46.5229 -46.5229 -46.3759 -46.3759 -46.3759 -46.3759 -4.3380 -4.3380 -4.3358 -4.3358 -3.7199 -3.7199 -3.7194 -3.7194 -3.5588 -3.5588 -3.5475 -3.5475 -2.7419 -2.7419 -2.7261 -2.7261 -2.7233 -2.7233 -2.7144 -2.7144 -2.4876 -2.4876 -2.4841 -2.4841 2.0437 2.0437 k = 0.2500-0.0000-0.0000 ( 13649 PWs) bands (ev): -93.1053 -93.1053 -93.1053 -93.1053 -59.9669 -59.9669 -59.9668 -59.9668 -46.5287 -46.5287 -46.5287 -46.5287 -46.3750 -46.3750 -46.3750 -46.3750 -4.2384 -4.2384 -4.2372 -4.2372 -3.7303 -3.7303 -3.7300 -3.7300 -3.5470 -3.5470 -3.5359 -3.5359 -2.7658 -2.7658 -2.7633 -2.7633 -2.7303 -2.7303 -2.7026 -2.7026 -2.4731 -2.4731 -2.4697 -2.4697 2.1382 2.1382 k = 0.2589-0.0000-0.0000 ( 13643 PWs) bands (ev): -93.1050 -93.1050 -93.1050 -93.1050 -59.9679 -59.9679 -59.9679 -59.9679 -46.5344 -46.5344 -46.5344 -46.5344 -46.3741 -46.3741 -46.3741 -46.3741 -4.1596 -4.1596 -4.1594 -4.1594 -3.7428 -3.7428 -3.7426 -3.7426 -3.5119 -3.5119 -3.5008 -3.5008 -2.8021 -2.8021 -2.8000 -2.8000 -2.7155 -2.7155 -2.6871 -2.6871 -2.4585 -2.4585 -2.4552 -2.4552 2.2345 2.2345 k = 0.2679-0.0000-0.0000 ( 13639 PWs) bands (ev): -93.1047 -93.1047 -93.1047 -93.1047 -59.9689 -59.9689 -59.9689 -59.9689 -46.5401 -46.5401 -46.5401 -46.5401 -46.3733 -46.3733 -46.3733 -46.3733 -4.1090 -4.1090 -4.1083 -4.1083 -3.7574 -3.7574 -3.7573 -3.7573 -3.4463 -3.4463 -3.4353 -3.4353 -2.8350 -2.8350 -2.8332 -2.8332 -2.6977 -2.6977 -2.6688 -2.6688 -2.4439 -2.4439 -2.4408 -2.4408 2.3324 2.3324 k = 0.2768-0.0000-0.0000 ( 13629 PWs) bands (ev): -93.1044 -93.1044 -93.1043 -93.1043 -59.9700 -59.9700 -59.9700 -59.9700 -46.5458 -46.5458 -46.5458 -46.5458 -46.3724 -46.3724 -46.3724 -46.3724 -4.0859 -4.0859 -4.0848 -4.0848 -3.7742 -3.7742 -3.7740 -3.7740 -3.3499 -3.3499 -3.3394 -3.3394 -2.8644 -2.8644 -2.8629 -2.8629 -2.6771 -2.6771 -2.6476 -2.6476 -2.4294 -2.4294 -2.4263 -2.4263 2.4321 2.4321 k = 0.2857-0.0000-0.0000 ( 13627 PWs) bands (ev): -93.1040 -93.1040 -93.1040 -93.1040 -59.9710 -59.9710 -59.9710 -59.9710 -46.5514 -46.5514 -46.5514 -46.5514 -46.3716 -46.3716 -46.3715 -46.3715 -4.0841 -4.0841 -4.0828 -4.0828 -3.7930 -3.7930 -3.7927 -3.7927 -3.2289 -3.2289 -3.2194 -3.2194 -2.8902 -2.8902 -2.8890 -2.8890 -2.6540 -2.6540 -2.6238 -2.6238 -2.4149 -2.4149 -2.4120 -2.4120 2.5335 2.5335 k = 0.2946-0.0000-0.0000 ( 13629 PWs) bands (ev): -93.1037 -93.1037 -93.1037 -93.1037 -59.9720 -59.9720 -59.9720 -59.9720 -46.5570 -46.5570 -46.5570 -46.5570 -46.3707 -46.3707 -46.3707 -46.3707 -4.0965 -4.0965 -4.0951 -4.0951 -3.8137 -3.8137 -3.8132 -3.8132 -3.0912 -3.0912 -3.0831 -3.0831 -2.9127 -2.9127 -2.9117 -2.9117 -2.6278 -2.6278 -2.5965 -2.5965 -2.4006 -2.4006 -2.3977 -2.3977 2.6366 2.6366 k = 0.3036-0.0000-0.0000 ( 13637 PWs) bands (ev): -93.1034 -93.1034 -93.1034 -93.1034 -59.9730 -59.9730 -59.9730 -59.9730 -46.5624 -46.5624 -46.5624 -46.5624 -46.3699 -46.3699 -46.3699 -46.3699 -4.1176 -4.1176 -4.1161 -4.1161 -3.8360 -3.8360 -3.8354 -3.8354 -2.9441 -2.9441 -2.9390 -2.9390 -2.9313 -2.9313 -2.9310 -2.9310 -2.5971 -2.5971 -2.5637 -2.5637 -2.3865 -2.3865 -2.3837 -2.3837 2.7412 2.7412 k = 0.3125-0.0000-0.0000 ( 13633 PWs) bands (ev): -93.1031 -93.1031 -93.1031 -93.1031 -59.9740 -59.9740 -59.9740 -59.9740 -46.5677 -46.5677 -46.5677 -46.5677 -46.3691 -46.3691 -46.3690 -46.3690 -4.1438 -4.1438 -4.1424 -4.1424 -3.8597 -3.8597 -3.8589 -3.8589 -2.9482 -2.9482 -2.9476 -2.9476 -2.7970 -2.7970 -2.7948 -2.7948 -2.5559 -2.5559 -2.5191 -2.5191 -2.3726 -2.3726 -2.3698 -2.3698 2.8474 2.8474 k = 0.3214-0.0000-0.0000 ( 13627 PWs) bands (ev): -93.1028 -93.1028 -93.1028 -93.1028 -59.9750 -59.9750 -59.9750 -59.9750 -46.5729 -46.5729 -46.5729 -46.5729 -46.3683 -46.3683 -46.3682 -46.3682 -4.1729 -4.1729 -4.1715 -4.1715 -3.8844 -3.8844 -3.8836 -3.8836 -2.9616 -2.9616 -2.9613 -2.9613 -2.6729 -2.6729 -2.6726 -2.6726 -2.4841 -2.4841 -2.4452 -2.4452 -2.3589 -2.3589 -2.3561 -2.3561 2.9551 2.9551 k = 0.3304-0.0000-0.0000 ( 13641 PWs) bands (ev): -93.1025 -93.1025 -93.1025 -93.1025 -59.9760 -59.9760 -59.9759 -59.9759 -46.5780 -46.5780 -46.5780 -46.5780 -46.3675 -46.3675 -46.3675 -46.3675 -4.2035 -4.2035 -4.2022 -4.2022 -3.9099 -3.9099 -3.9090 -3.9090 -2.9726 -2.9726 -2.9724 -2.9724 -2.5980 -2.5980 -2.5938 -2.5938 -2.3566 -2.3566 -2.3454 -2.3454 -2.3446 -2.3446 -2.3204 -2.3204 3.0641 3.0641 k = 0.3393-0.0000-0.0000 ( 13633 PWs) bands (ev): -93.1023 -93.1023 -93.1022 -93.1022 -59.9769 -59.9769 -59.9768 -59.9768 -46.5829 -46.5829 -46.5829 -46.5829 -46.3668 -46.3668 -46.3667 -46.3667 -4.2347 -4.2347 -4.2334 -4.2334 -3.9358 -3.9358 -3.9349 -3.9349 -2.9814 -2.9814 -2.9813 -2.9813 -2.5548 -2.5548 -2.5459 -2.5459 -2.3327 -2.3327 -2.3305 -2.3305 -2.1921 -2.1921 -2.1622 -2.1622 3.1744 3.1744 k = 0.3482-0.0000-0.0000 ( 13625 PWs) bands (ev): -93.1020 -93.1020 -93.1020 -93.1020 -59.9777 -59.9777 -59.9777 -59.9777 -46.5876 -46.5876 -46.5876 -46.5876 -46.3660 -46.3660 -46.3660 -46.3660 -4.2658 -4.2658 -4.2645 -4.2645 -3.9619 -3.9619 -3.9608 -3.9608 -2.9883 -2.9883 -2.9883 -2.9883 -2.5223 -2.5223 -2.5110 -2.5110 -2.3201 -2.3201 -2.3180 -2.3180 -2.0129 -2.0129 -1.9856 -1.9856 3.2857 3.2857 k = 0.3571-0.0000-0.0000 ( 13629 PWs) bands (ev): -93.1017 -93.1017 -93.1017 -93.1017 -59.9786 -59.9786 -59.9785 -59.9785 -46.5922 -46.5922 -46.5921 -46.5921 -46.3653 -46.3653 -46.3653 -46.3653 -4.2963 -4.2963 -4.2950 -4.2950 -3.9878 -3.9878 -3.9867 -3.9867 -2.9937 -2.9937 -2.9935 -2.9935 -2.4941 -2.4941 -2.4816 -2.4816 -2.3080 -2.3080 -2.3059 -2.3059 -1.8261 -1.8261 -1.8000 -1.8000 3.3977 3.3977 k = 0.3661-0.0000-0.0000 ( 13613 PWs) bands (ev): -93.1015 -93.1015 -93.1015 -93.1015 -59.9794 -59.9794 -59.9793 -59.9793 -46.5965 -46.5965 -46.5965 -46.5965 -46.3647 -46.3647 -46.3646 -46.3646 -4.3259 -4.3259 -4.3247 -4.3247 -4.0132 -4.0132 -4.0121 -4.0121 -2.9976 -2.9976 -2.9974 -2.9974 -2.4682 -2.4682 -2.4551 -2.4551 -2.2965 -2.2965 -2.2944 -2.2944 -1.6343 -1.6343 -1.6085 -1.6085 3.5101 3.5101 k = 0.3750-0.0000-0.0000 ( 13613 PWs) bands (ev): -93.1012 -93.1012 -93.1012 -93.1012 -59.9801 -59.9801 -59.9801 -59.9801 -46.6006 -46.6006 -46.6006 -46.6006 -46.3640 -46.3640 -46.3640 -46.3640 -4.3544 -4.3544 -4.3532 -4.3532 -4.0380 -4.0380 -4.0369 -4.0369 -3.0004 -3.0004 -3.0001 -3.0001 -2.4439 -2.4439 -2.4307 -2.4307 -2.2854 -2.2854 -2.2834 -2.2834 -1.4387 -1.4387 -1.4129 -1.4129 3.6224 3.6224 k = 0.3839-0.0000-0.0000 ( 13613 PWs) bands (ev): -93.1010 -93.1010 -93.1010 -93.1010 -59.9809 -59.9809 -59.9808 -59.9808 -46.6045 -46.6045 -46.6045 -46.6045 -46.3634 -46.3634 -46.3634 -46.3634 -4.3815 -4.3815 -4.3803 -4.3803 -4.0618 -4.0618 -4.0607 -4.0607 -3.0022 -3.0022 -3.0019 -3.0019 -2.4209 -2.4209 -2.4079 -2.4079 -2.2749 -2.2749 -2.2730 -2.2730 -1.2402 -1.2402 -1.2139 -1.2139 3.7335 3.7335 k = 0.3929-0.0000-0.0000 ( 13615 PWs) bands (ev): -93.1008 -93.1008 -93.1008 -93.1008 -59.9816 -59.9816 -59.9815 -59.9815 -46.6081 -46.6081 -46.6081 -46.6081 -46.3629 -46.3629 -46.3628 -46.3628 -4.4070 -4.4070 -4.4058 -4.4058 -4.0846 -4.0846 -4.0835 -4.0835 -3.0033 -3.0033 -3.0029 -3.0029 -2.3994 -2.3994 -2.3866 -2.3866 -2.2651 -2.2651 -2.2632 -2.2632 -1.0394 -1.0394 -1.0125 -1.0125 3.8416 3.8416 k = 0.4018-0.0000-0.0000 ( 13593 PWs) bands (ev): -93.1006 -93.1006 -93.1006 -93.1006 -59.9822 -59.9822 -59.9821 -59.9821 -46.6115 -46.6115 -46.6115 -46.6115 -46.3624 -46.3624 -46.3623 -46.3623 -4.4308 -4.4308 -4.4297 -4.4297 -4.1061 -4.1061 -4.1050 -4.1050 -3.0037 -3.0037 -3.0033 -3.0033 -2.3792 -2.3792 -2.3666 -2.3666 -2.2558 -2.2558 -2.2540 -2.2540 -0.8369 -0.8369 -0.8092 -0.8092 3.9425 3.9425 k = 0.4107-0.0000-0.0000 ( 13583 PWs) bands (ev): -93.1004 -93.1004 -93.1004 -93.1004 -59.9827 -59.9827 -59.9827 -59.9827 -46.6146 -46.6146 -46.6146 -46.6146 -46.3619 -46.3619 -46.3618 -46.3618 -4.4529 -4.4529 -4.4518 -4.4518 -4.1261 -4.1261 -4.1250 -4.1250 -3.0037 -3.0037 -3.0032 -3.0032 -2.3604 -2.3604 -2.3482 -2.3482 -2.2473 -2.2473 -2.2455 -2.2455 -0.6335 -0.6335 -0.6049 -0.6049 4.0227 4.0227 k = 0.4196-0.0000-0.0000 ( 13589 PWs) bands (ev): -93.1003 -93.1003 -93.1002 -93.1002 -59.9833 -59.9833 -59.9832 -59.9832 -46.6175 -46.6175 -46.6175 -46.6175 -46.3614 -46.3614 -46.3614 -46.3614 -4.4731 -4.4731 -4.4721 -4.4721 -4.1446 -4.1446 -4.1436 -4.1436 -3.0033 -3.0033 -3.0028 -3.0028 -2.3431 -2.3431 -2.3312 -2.3312 -2.2395 -2.2395 -2.2377 -2.2377 -0.4299 -0.4299 -0.4003 -0.4003 4.0348 4.0348 k = 0.4286-0.0000-0.0000 ( 13595 PWs) bands (ev): -93.1001 -93.1001 -93.1001 -93.1001 -59.9838 -59.9838 -59.9837 -59.9837 -46.6201 -46.6201 -46.6201 -46.6201 -46.3610 -46.3610 -46.3610 -46.3610 -4.4914 -4.4914 -4.4903 -4.4903 -4.1615 -4.1615 -4.1604 -4.1604 -3.0027 -3.0027 -3.0023 -3.0023 -2.3274 -2.3274 -2.3159 -2.3159 -2.2324 -2.2324 -2.2307 -2.2307 -0.2273 -0.2273 -0.1966 -0.1966 3.8849 3.8849 k = 0.4375-0.0000-0.0000 ( 13583 PWs) bands (ev): -93.1000 -93.1000 -93.0999 -93.0999 -59.9842 -59.9842 -59.9841 -59.9841 -46.6224 -46.6224 -46.6224 -46.6224 -46.3607 -46.3607 -46.3606 -46.3606 -4.5076 -4.5076 -4.5066 -4.5066 -4.1765 -4.1765 -4.1754 -4.1754 -3.0020 -3.0020 -3.0015 -3.0015 -2.3134 -2.3134 -2.3021 -2.3021 -2.2261 -2.2261 -2.2244 -2.2244 -0.0269 -0.0269 0.0049 0.0049 3.6807 3.6807 k = 0.4464-0.0000-0.0000 ( 13579 PWs) bands (ev): -93.0999 -93.0999 -93.0998 -93.0998 -59.9846 -59.9846 -59.9845 -59.9845 -46.6244 -46.6244 -46.6244 -46.6244 -46.3604 -46.3604 -46.3603 -46.3603 -4.5218 -4.5218 -4.5208 -4.5208 -4.1897 -4.1897 -4.1887 -4.1887 -3.0012 -3.0012 -3.0007 -3.0007 -2.3010 -2.3010 -2.2901 -2.2901 -2.2205 -2.2205 -2.2189 -2.2189 0.1691 0.1691 0.2020 0.2020 3.4773 3.4773 k = 0.4554-0.0000-0.0000 ( 13579 PWs) bands (ev): -93.0998 -93.0998 -93.0997 -93.0997 -59.9849 -59.9849 -59.9848 -59.9848 -46.6261 -46.6261 -46.6261 -46.6261 -46.3601 -46.3601 -46.3601 -46.3601 -4.5338 -4.5338 -4.5328 -4.5328 -4.2010 -4.2010 -4.2000 -4.2000 -3.0005 -3.0005 -3.0000 -3.0000 -2.2905 -2.2905 -2.2798 -2.2798 -2.2158 -2.2158 -2.2143 -2.2143 0.3578 0.3578 0.3919 0.3919 3.2804 3.2804 k = 0.4643-0.0000-0.0000 ( 13594 PWs) bands (ev): -93.0997 -93.0997 -93.0996 -93.0996 -59.9852 -59.9852 -59.9851 -59.9851 -46.6275 -46.6275 -46.6275 -46.6275 -46.3599 -46.3599 -46.3598 -46.3598 -4.5437 -4.5437 -4.5428 -4.5428 -4.2103 -4.2103 -4.2093 -4.2093 -2.9998 -2.9998 -2.9993 -2.9993 -2.2817 -2.2817 -2.2713 -2.2713 -2.2120 -2.2120 -2.2104 -2.2104 0.5349 0.5349 0.5701 0.5701 3.0959 3.0959 k = 0.4732-0.0000-0.0000 ( 13594 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9854 -59.9854 -59.9853 -59.9853 -46.6286 -46.6286 -46.6286 -46.6286 -46.3597 -46.3597 -46.3597 -46.3597 -4.5515 -4.5515 -4.5505 -4.5505 -4.2176 -4.2176 -4.2166 -4.2166 -2.9992 -2.9992 -2.9987 -2.9987 -2.2749 -2.2749 -2.2646 -2.2646 -2.2090 -2.2090 -2.2074 -2.2074 0.6935 0.6935 0.7296 0.7296 2.9310 2.9310 k = 0.4821-0.0000-0.0000 ( 13586 PWs) bands (ev): -93.0996 -93.0996 -93.0995 -93.0995 -59.9855 -59.9855 -59.9854 -59.9854 -46.6294 -46.6294 -46.6294 -46.6294 -46.3596 -46.3596 -46.3595 -46.3595 -4.5570 -4.5570 -4.5561 -4.5561 -4.2228 -4.2228 -4.2218 -4.2218 -2.9988 -2.9988 -2.9982 -2.9982 -2.2700 -2.2700 -2.2599 -2.2599 -2.2068 -2.2068 -2.2052 -2.2052 0.8233 0.8233 0.8602 0.8602 2.7966 2.7966 k = 0.4911-0.0000-0.0000 ( 13576 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6299 -46.6299 -46.6298 -46.6298 -46.3595 -46.3595 -46.3595 -46.3595 -4.5603 -4.5603 -4.5594 -4.5594 -4.2259 -4.2259 -4.2249 -4.2249 -2.9985 -2.9985 -2.9980 -2.9980 -2.2670 -2.2670 -2.2570 -2.2570 -2.2055 -2.2055 -2.2040 -2.2040 0.9107 0.9107 0.9480 0.9480 2.7064 2.7064 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2661 -2.2661 -2.2560 -2.2560 -2.2050 -2.2050 -2.2035 -2.2035 0.9419 0.9419 0.9793 0.9793 2.6743 2.6743 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2661 -2.2661 -2.2560 -2.2560 -2.2050 -2.2050 -2.2035 -2.2035 0.9419 0.9419 0.9793 0.9793 2.6743 2.6743 k = 0.5000 0.0089-0.0000 ( 13578 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3594 -46.3594 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2660 -2.2660 -2.2560 -2.2560 -2.2050 -2.2050 -2.2035 -2.2035 0.9420 0.9420 0.9794 0.9794 2.6744 2.6744 k = 0.5000 0.0179-0.0000 ( 13566 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3594 -46.3594 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2660 -2.2660 -2.2560 -2.2560 -2.2050 -2.2050 -2.2035 -2.2035 0.9423 0.9423 0.9795 0.9795 2.6750 2.6750 k = 0.5000 0.0268-0.0000 ( 13574 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3594 -46.3594 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2659 -2.2659 -2.2559 -2.2559 -2.2050 -2.2050 -2.2035 -2.2035 0.9428 0.9428 0.9798 0.9798 2.6758 2.6758 k = 0.5000 0.0357-0.0000 ( 13594 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5606 -4.5606 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2657 -2.2657 -2.2558 -2.2558 -2.2050 -2.2050 -2.2035 -2.2035 0.9434 0.9434 0.9801 0.9801 2.6770 2.6770 k = 0.5000 0.0446-0.0000 ( 13606 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5606 -4.5606 -4.2270 -4.2270 -4.2261 -4.2261 -2.9984 -2.9984 -2.9979 -2.9979 -2.2655 -2.2655 -2.2557 -2.2557 -2.2050 -2.2050 -2.2035 -2.2035 0.9443 0.9443 0.9805 0.9805 2.6785 2.6785 k = 0.5000 0.0536-0.0000 ( 13612 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5606 -4.5606 -4.2271 -4.2271 -4.2261 -4.2261 -2.9984 -2.9984 -2.9979 -2.9979 -2.2653 -2.2653 -2.2556 -2.2556 -2.2049 -2.2049 -2.2035 -2.2035 0.9453 0.9453 0.9809 0.9809 2.6803 2.6803 k = 0.5000 0.0625-0.0000 ( 13620 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5606 -4.5606 -4.2271 -4.2271 -4.2261 -4.2261 -2.9984 -2.9984 -2.9979 -2.9979 -2.2651 -2.2651 -2.2555 -2.2555 -2.2049 -2.2049 -2.2035 -2.2035 0.9464 0.9464 0.9814 0.9814 2.6823 2.6823 k = 0.5000 0.0714-0.0000 ( 13610 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5606 -4.5606 -4.2271 -4.2271 -4.2261 -4.2261 -2.9983 -2.9983 -2.9979 -2.9979 -2.2648 -2.2648 -2.2553 -2.2553 -2.2048 -2.2048 -2.2035 -2.2035 0.9477 0.9477 0.9820 0.9820 2.6845 2.6845 k = 0.5000 0.0803-0.0000 ( 13614 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5607 -4.5607 -4.2271 -4.2271 -4.2262 -4.2262 -2.9983 -2.9983 -2.9979 -2.9979 -2.2645 -2.2645 -2.2552 -2.2552 -2.2048 -2.2048 -2.2035 -2.2035 0.9490 0.9490 0.9826 0.9826 2.6869 2.6869 k = 0.5000 0.0893-0.0000 ( 13598 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5607 -4.5607 -4.2271 -4.2271 -4.2262 -4.2262 -2.9983 -2.9983 -2.9979 -2.9979 -2.2642 -2.2642 -2.2550 -2.2550 -2.2047 -2.2047 -2.2035 -2.2035 0.9504 0.9504 0.9831 0.9831 2.6895 2.6895 k = 0.5000 0.0982-0.0000 ( 13600 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5607 -4.5607 -4.2271 -4.2271 -4.2262 -4.2262 -2.9983 -2.9983 -2.9979 -2.9979 -2.2639 -2.2639 -2.2549 -2.2549 -2.2047 -2.2047 -2.2035 -2.2035 0.9518 0.9518 0.9837 0.9837 2.6921 2.6921 k = 0.5000 0.1071-0.0000 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5607 -4.5607 -4.2271 -4.2271 -4.2262 -4.2262 -2.9983 -2.9983 -2.9979 -2.9979 -2.2636 -2.2636 -2.2547 -2.2547 -2.2046 -2.2046 -2.2035 -2.2035 0.9533 0.9533 0.9843 0.9843 2.6947 2.6947 k = 0.5000 0.1161-0.0000 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5607 -4.5607 -4.2271 -4.2271 -4.2262 -4.2262 -2.9982 -2.9982 -2.9979 -2.9979 -2.2633 -2.2633 -2.2546 -2.2546 -2.2046 -2.2046 -2.2035 -2.2035 0.9546 0.9546 0.9848 0.9848 2.6974 2.6974 k = 0.5000 0.1250-0.0000 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9979 -2.9979 -2.2630 -2.2630 -2.2545 -2.2545 -2.2046 -2.2046 -2.2035 -2.2035 0.9560 0.9560 0.9853 0.9853 2.6999 2.6999 k = 0.5000 0.1339-0.0000 ( 13594 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9979 -2.9979 -2.2627 -2.2627 -2.2543 -2.2543 -2.2045 -2.2045 -2.2034 -2.2034 0.9572 0.9572 0.9857 0.9857 2.7022 2.7022 k = 0.5000 0.1428-0.0000 ( 13578 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9978 -2.9978 -2.2625 -2.2625 -2.2542 -2.2542 -2.2045 -2.2045 -2.2034 -2.2034 0.9583 0.9583 0.9861 0.9861 2.7044 2.7044 k = 0.5000 0.1518-0.0000 ( 13582 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9978 -2.9978 -2.2623 -2.2623 -2.2541 -2.2541 -2.2045 -2.2045 -2.2034 -2.2034 0.9592 0.9592 0.9864 0.9864 2.7063 2.7063 k = 0.5000 0.1607-0.0000 ( 13590 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9978 -2.9978 -2.2622 -2.2622 -2.2541 -2.2541 -2.2044 -2.2044 -2.2034 -2.2034 0.9600 0.9600 0.9867 0.9867 2.7078 2.7078 k = 0.5000 0.1696-0.0000 ( 13590 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2620 -2.2620 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9605 0.9605 0.9869 0.9869 2.7089 2.7089 k = 0.5000 0.1785-0.0000 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9978 -2.9978 -2.2620 -2.2620 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9609 0.9609 0.9870 0.9870 2.7096 2.7096 k = 0.5000 0.1875-0.0000 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2619 -2.2619 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9610 0.9610 0.9870 0.9870 2.7098 2.7098 k = 0.5000 0.1875-0.0000 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2619 -2.2619 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9610 0.9610 0.9870 0.9870 2.7098 2.7098 k = 0.4911 0.1875-0.0000 ( 13564 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6299 -46.6299 -46.6298 -46.6298 -46.3595 -46.3595 -46.3595 -46.3595 -4.5605 -4.5605 -4.5597 -4.5597 -4.2261 -4.2261 -4.2253 -4.2253 -2.9983 -2.9983 -2.9979 -2.9979 -2.2629 -2.2629 -2.2549 -2.2549 -2.2048 -2.2048 -2.2038 -2.2038 0.9298 0.9298 0.9556 0.9556 2.7421 2.7421 k = 0.4821 0.1875-0.0000 ( 13590 PWs) bands (ev): -93.0996 -93.0996 -93.0995 -93.0995 -59.9855 -59.9855 -59.9855 -59.9855 -46.6294 -46.6294 -46.6294 -46.6294 -46.3596 -46.3596 -46.3596 -46.3596 -4.5572 -4.5572 -4.5564 -4.5564 -4.2230 -4.2230 -4.2222 -4.2222 -2.9986 -2.9986 -2.9982 -2.9982 -2.2658 -2.2658 -2.2578 -2.2578 -2.2062 -2.2062 -2.2051 -2.2051 0.8422 0.8422 0.8677 0.8677 2.8325 2.8325 k = 0.4732 0.1875-0.0000 ( 13586 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9853 -59.9853 -59.9853 -59.9853 -46.6286 -46.6286 -46.6286 -46.6286 -46.3597 -46.3597 -46.3597 -46.3597 -4.5516 -4.5516 -4.5508 -4.5508 -4.2178 -4.2178 -4.2169 -4.2169 -2.9990 -2.9990 -2.9987 -2.9987 -2.2706 -2.2706 -2.2625 -2.2625 -2.2083 -2.2083 -2.2073 -2.2073 0.7120 0.7120 0.7370 0.7370 2.9674 2.9674 k = 0.4643 0.1875-0.0000 ( 13598 PWs) bands (ev): -93.0997 -93.0997 -93.0997 -93.0997 -59.9852 -59.9852 -59.9851 -59.9851 -46.6275 -46.6275 -46.6275 -46.6275 -46.3599 -46.3599 -46.3599 -46.3599 -4.5439 -4.5439 -4.5431 -4.5431 -4.2105 -4.2105 -4.2097 -4.2097 -2.9996 -2.9996 -2.9992 -2.9992 -2.2773 -2.2773 -2.2692 -2.2692 -2.2113 -2.2113 -2.2103 -2.2103 0.5530 0.5530 0.5773 0.5773 3.1326 3.1326 k = 0.4554 0.1875-0.0000 ( 13602 PWs) bands (ev): -93.0998 -93.0998 -93.0997 -93.0997 -59.9849 -59.9849 -59.9849 -59.9849 -46.6261 -46.6261 -46.6261 -46.6261 -46.3601 -46.3601 -46.3601 -46.3601 -4.5340 -4.5340 -4.5332 -4.5332 -4.2012 -4.2012 -4.2004 -4.2004 -3.0003 -3.0003 -3.0000 -3.0000 -2.2860 -2.2860 -2.2776 -2.2776 -2.2152 -2.2152 -2.2141 -2.2141 0.3753 0.3753 0.3989 0.3989 3.3173 3.3173 k = 0.4464 0.1875-0.0000 ( 13608 PWs) bands (ev): -93.0999 -93.0999 -93.0998 -93.0998 -59.9846 -59.9846 -59.9845 -59.9845 -46.6244 -46.6244 -46.6244 -46.6244 -46.3604 -46.3604 -46.3604 -46.3604 -4.5220 -4.5220 -4.5211 -4.5211 -4.1899 -4.1899 -4.1891 -4.1891 -3.0011 -3.0011 -3.0007 -3.0007 -2.2964 -2.2964 -2.2879 -2.2879 -2.2199 -2.2199 -2.2188 -2.2188 0.1859 0.1859 0.2087 0.2087 3.5134 3.5134 k = 0.4375 0.1875-0.0000 ( 13598 PWs) bands (ev): -93.1000 -93.1000 -93.0999 -93.0999 -59.9842 -59.9842 -59.9841 -59.9841 -46.6224 -46.6224 -46.6224 -46.6224 -46.3607 -46.3607 -46.3607 -46.3607 -4.5078 -4.5078 -4.5070 -4.5070 -4.1767 -4.1767 -4.1759 -4.1759 -3.0019 -3.0019 -3.0015 -3.0015 -2.3085 -2.3085 -2.2998 -2.2998 -2.2254 -2.2254 -2.2243 -2.2243 -0.0107 -0.0107 0.0113 0.0113 3.7133 3.7133 k = 0.4286 0.1875-0.0000 ( 13616 PWs) bands (ev): -93.1001 -93.1001 -93.1001 -93.1001 -59.9838 -59.9838 -59.9837 -59.9837 -46.6201 -46.6201 -46.6201 -46.6201 -46.3610 -46.3610 -46.3610 -46.3610 -4.4916 -4.4916 -4.4907 -4.4907 -4.1617 -4.1617 -4.1608 -4.1608 -3.0026 -3.0026 -3.0022 -3.0022 -2.3224 -2.3224 -2.3135 -2.3135 -2.2317 -2.2317 -2.2306 -2.2306 -0.2117 -0.2117 -0.1904 -0.1904 3.9049 3.9049 k = 0.4196 0.1875-0.0000 ( 13628 PWs) bands (ev): -93.1003 -93.1003 -93.1002 -93.1002 -59.9833 -59.9833 -59.9833 -59.9833 -46.6175 -46.6175 -46.6175 -46.6175 -46.3614 -46.3614 -46.3614 -46.3614 -4.4733 -4.4733 -4.4725 -4.4725 -4.1448 -4.1448 -4.1440 -4.1440 -3.0032 -3.0032 -3.0029 -3.0029 -2.3379 -2.3379 -2.3288 -2.3288 -2.2388 -2.2388 -2.2376 -2.2376 -0.4149 -0.4149 -0.3943 -0.3943 4.0518 4.0518 k = 0.4107 0.1875-0.0000 ( 13640 PWs) bands (ev): -93.1004 -93.1004 -93.1004 -93.1004 -59.9828 -59.9828 -59.9827 -59.9827 -46.6147 -46.6147 -46.6146 -46.6146 -46.3619 -46.3619 -46.3619 -46.3619 -4.4531 -4.4531 -4.4523 -4.4523 -4.1264 -4.1264 -4.1255 -4.1255 -3.0036 -3.0036 -3.0032 -3.0032 -2.3550 -2.3550 -2.3457 -2.3457 -2.2466 -2.2466 -2.2454 -2.2454 -0.6191 -0.6191 -0.5991 -0.5991 4.0658 4.0658 k = 0.4018 0.1875-0.0000 ( 13644 PWs) bands (ev): -93.1006 -93.1006 -93.1006 -93.1006 -59.9822 -59.9822 -59.9822 -59.9822 -46.6115 -46.6115 -46.6115 -46.6115 -46.3624 -46.3624 -46.3624 -46.3624 -4.4311 -4.4311 -4.4302 -4.4302 -4.1063 -4.1063 -4.1055 -4.1055 -3.0036 -3.0036 -3.0033 -3.0033 -2.3736 -2.3736 -2.3641 -2.3641 -2.2551 -2.2551 -2.2538 -2.2538 -0.8230 -0.8230 -0.8036 -0.8036 4.0025 4.0025 k = 0.3929 0.1875-0.0000 ( 13648 PWs) bands (ev): -93.1008 -93.1008 -93.1008 -93.1008 -59.9816 -59.9816 -59.9815 -59.9815 -46.6081 -46.6081 -46.6081 -46.6081 -46.3629 -46.3629 -46.3629 -46.3629 -4.4072 -4.4072 -4.4063 -4.4063 -4.0848 -4.0848 -4.0840 -4.0840 -3.0032 -3.0032 -3.0029 -3.0029 -2.3936 -2.3936 -2.3840 -2.3840 -2.2643 -2.2643 -2.2630 -2.2630 -1.0260 -1.0260 -1.0070 -1.0070 3.9110 3.9110 k = 0.3839 0.1875-0.0000 ( 13666 PWs) bands (ev): -93.1010 -93.1010 -93.1010 -93.1010 -59.9809 -59.9809 -59.9809 -59.9809 -46.6045 -46.6045 -46.6045 -46.6045 -46.3635 -46.3635 -46.3634 -46.3634 -4.3817 -4.3817 -4.3808 -4.3808 -4.0621 -4.0621 -4.0612 -4.0612 -3.0022 -3.0022 -3.0019 -3.0019 -2.4150 -2.4150 -2.4053 -2.4053 -2.2741 -2.2741 -2.2728 -2.2728 -1.2272 -1.2272 -1.2086 -1.2086 3.8079 3.8079 k = 0.3750 0.1875-0.0000 ( 13662 PWs) bands (ev): -93.1012 -93.1012 -93.1012 -93.1012 -59.9802 -59.9802 -59.9802 -59.9802 -46.6006 -46.6006 -46.6006 -46.6006 -46.3641 -46.3641 -46.3640 -46.3640 -4.3547 -4.3547 -4.3537 -4.3537 -4.0383 -4.0383 -4.0374 -4.0374 -3.0003 -3.0003 -3.0001 -3.0001 -2.4378 -2.4378 -2.4281 -2.4281 -2.2845 -2.2845 -2.2832 -2.2832 -1.4260 -1.4260 -1.4076 -1.4076 3.6990 3.6990 k = 0.3661 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1015 -93.1015 -93.1015 -93.1015 -59.9794 -59.9794 -59.9794 -59.9794 -46.5965 -46.5965 -46.5965 -46.5965 -46.3647 -46.3647 -46.3647 -46.3647 -4.3262 -4.3262 -4.3252 -4.3252 -4.0135 -4.0135 -4.0126 -4.0126 -2.9976 -2.9976 -2.9974 -2.9974 -2.4621 -2.4621 -2.4526 -2.4526 -2.2956 -2.2956 -2.2941 -2.2941 -1.6217 -1.6217 -1.6032 -1.6032 3.5877 3.5877 k = 0.3571 0.1875-0.0000 ( 13678 PWs) bands (ev): -93.1017 -93.1017 -93.1017 -93.1017 -59.9786 -59.9786 -59.9786 -59.9786 -46.5922 -46.5922 -46.5922 -46.5922 -46.3654 -46.3654 -46.3653 -46.3653 -4.2966 -4.2966 -4.2956 -4.2956 -3.9880 -3.9880 -3.9872 -3.9872 -2.9937 -2.9937 -2.9936 -2.9936 -2.4883 -2.4883 -2.4792 -2.4792 -2.3071 -2.3071 -2.3056 -2.3056 -1.8134 -1.8134 -1.7946 -1.7946 3.4758 3.4758 k = 0.3482 0.1875-0.0000 ( 13682 PWs) bands (ev): -93.1020 -93.1020 -93.1020 -93.1020 -59.9778 -59.9778 -59.9777 -59.9777 -46.5876 -46.5876 -46.5876 -46.5876 -46.3661 -46.3661 -46.3660 -46.3660 -4.2661 -4.2661 -4.2651 -4.2651 -3.9622 -3.9622 -3.9614 -3.9614 -2.9884 -2.9884 -2.9883 -2.9883 -2.5170 -2.5170 -2.5088 -2.5088 -2.3192 -2.3192 -2.3176 -2.3176 -1.9997 -1.9997 -1.9800 -1.9800 3.3641 3.3641 k = 0.3393 0.1875-0.0000 ( 13678 PWs) bands (ev): -93.1023 -93.1023 -93.1023 -93.1023 -59.9769 -59.9769 -59.9769 -59.9769 -46.5829 -46.5829 -46.5829 -46.5829 -46.3668 -46.3668 -46.3668 -46.3668 -4.2350 -4.2350 -4.2339 -4.2339 -3.9361 -3.9361 -3.9353 -3.9353 -2.9815 -2.9815 -2.9814 -2.9814 -2.5505 -2.5505 -2.5442 -2.5442 -2.3318 -2.3318 -2.3301 -2.3301 -2.1776 -2.1776 -2.1561 -2.1561 3.2530 3.2530 k = 0.3304 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1025 -93.1025 -93.1025 -93.1025 -59.9760 -59.9760 -59.9759 -59.9759 -46.5780 -46.5780 -46.5780 -46.5780 -46.3675 -46.3675 -46.3675 -46.3675 -4.2038 -4.2038 -4.2028 -4.2028 -3.9101 -3.9101 -3.9094 -3.9094 -2.9727 -2.9727 -2.9726 -2.9726 -2.5959 -2.5959 -2.5931 -2.5931 -2.3477 -2.3477 -2.3430 -2.3430 -2.3366 -2.3366 -2.3145 -2.3145 3.1430 3.1430 k = 0.3214 0.1875-0.0000 ( 13676 PWs) bands (ev): -93.1028 -93.1028 -93.1028 -93.1028 -59.9750 -59.9750 -59.9750 -59.9750 -46.5730 -46.5730 -46.5729 -46.5729 -46.3683 -46.3683 -46.3683 -46.3683 -4.1732 -4.1732 -4.1721 -4.1721 -3.8846 -3.8846 -3.8840 -3.8840 -2.9617 -2.9617 -2.9615 -2.9615 -2.6730 -2.6730 -2.6729 -2.6729 -2.4653 -2.4653 -2.4369 -2.4369 -2.3576 -2.3576 -2.3561 -2.3561 3.0341 3.0341 k = 0.3125 0.1875-0.0000 ( 13680 PWs) bands (ev): -93.1031 -93.1031 -93.1031 -93.1031 -59.9741 -59.9741 -59.9740 -59.9740 -46.5678 -46.5678 -46.5677 -46.5677 -46.3691 -46.3691 -46.3691 -46.3691 -4.1440 -4.1440 -4.1430 -4.1430 -3.8599 -3.8599 -3.8593 -3.8593 -2.9483 -2.9483 -2.9480 -2.9480 -2.7959 -2.7959 -2.7945 -2.7945 -2.5382 -2.5382 -2.5112 -2.5112 -2.3712 -2.3712 -2.3696 -2.3696 2.9266 2.9266 k = 0.3036 0.1875-0.0000 ( 13688 PWs) bands (ev): -93.1034 -93.1034 -93.1034 -93.1034 -59.9731 -59.9731 -59.9731 -59.9731 -46.5624 -46.5624 -46.5624 -46.5624 -46.3699 -46.3699 -46.3699 -46.3699 -4.1178 -4.1178 -4.1168 -4.1168 -3.8362 -3.8362 -3.8357 -3.8357 -2.9418 -2.9418 -2.9374 -2.9374 -2.9320 -2.9320 -2.9310 -2.9310 -2.5810 -2.5810 -2.5566 -2.5566 -2.3851 -2.3851 -2.3834 -2.3834 2.8206 2.8206 k = 0.2946 0.1875-0.0000 ( 13684 PWs) bands (ev): -93.1037 -93.1037 -93.1037 -93.1037 -59.9721 -59.9721 -59.9721 -59.9721 -46.5570 -46.5570 -46.5570 -46.5570 -46.3707 -46.3707 -46.3707 -46.3707 -4.0968 -4.0968 -4.0958 -4.0958 -3.8139 -3.8139 -3.8135 -3.8135 -3.0873 -3.0873 -3.0816 -3.0816 -2.9129 -2.9129 -2.9122 -2.9122 -2.6127 -2.6127 -2.5898 -2.5898 -2.3992 -2.3992 -2.3975 -2.3975 2.7161 2.7161 k = 0.2857 0.1875-0.0000 ( 13676 PWs) bands (ev): -93.1041 -93.1041 -93.1041 -93.1041 -59.9711 -59.9711 -59.9710 -59.9710 -46.5514 -46.5514 -46.5514 -46.5514 -46.3716 -46.3716 -46.3716 -46.3716 -4.0844 -4.0844 -4.0834 -4.0834 -3.7931 -3.7931 -3.7929 -3.7929 -3.2243 -3.2243 -3.2176 -3.2176 -2.8905 -2.8905 -2.8896 -2.8896 -2.6393 -2.6393 -2.6174 -2.6174 -2.4135 -2.4135 -2.4117 -2.4117 2.6132 2.6258 k = 0.2768 0.1875-0.0000 ( 13668 PWs) bands (ev): -93.1044 -93.1044 -93.1044 -93.1044 -59.9700 -59.9700 -59.9700 -59.9700 -46.5458 -46.5458 -46.5458 -46.5458 -46.3724 -46.3724 -46.3724 -46.3724 -4.0862 -4.0862 -4.0853 -4.0853 -3.7743 -3.7743 -3.7741 -3.7741 -3.3448 -3.3448 -3.3374 -3.3374 -2.8647 -2.8647 -2.8636 -2.8636 -2.6628 -2.6628 -2.6414 -2.6414 -2.4278 -2.4278 -2.4260 -2.4260 2.5119 2.5119 k = 0.2679 0.1875-0.0000 ( 13676 PWs) bands (ev): -93.1047 -93.1047 -93.1047 -93.1047 -59.9690 -59.9690 -59.9690 -59.9690 -46.5402 -46.5402 -46.5401 -46.5401 -46.3733 -46.3733 -46.3733 -46.3733 -4.1092 -4.1092 -4.1086 -4.1086 -3.7574 -3.7574 -3.7573 -3.7573 -3.4410 -3.4410 -3.4332 -3.4332 -2.8354 -2.8354 -2.8341 -2.8341 -2.6835 -2.6835 -2.6626 -2.6626 -2.4423 -2.4423 -2.4404 -2.4404 2.4124 2.4124 k = 0.2589 0.1875-0.0000 ( 13680 PWs) bands (ev): -93.1050 -93.1050 -93.1050 -93.1050 -59.9679 -59.9679 -59.9679 -59.9679 -46.5344 -46.5344 -46.5344 -46.5344 -46.3741 -46.3741 -46.3741 -46.3741 -4.1595 -4.1595 -4.1594 -4.1594 -3.7427 -3.7427 -3.7426 -3.7426 -3.5065 -3.5065 -3.4987 -3.4987 -2.8026 -2.8026 -2.8011 -2.8011 -2.7015 -2.7015 -2.6811 -2.6811 -2.4568 -2.4568 -2.4549 -2.4549 2.3145 2.3145 k = 0.2500 0.1875-0.0000 ( 13680 PWs) bands (ev): -93.1054 -93.1054 -93.1053 -93.1053 -59.9669 -59.9669 -59.9669 -59.9669 -46.5287 -46.5287 -46.5287 -46.5287 -46.3750 -46.3750 -46.3750 -46.3750 -4.2379 -4.2379 -4.2370 -4.2370 -3.7302 -3.7302 -3.7299 -3.7299 -3.5416 -3.5416 -3.5338 -3.5338 -2.7663 -2.7663 -2.7646 -2.7646 -2.7165 -2.7165 -2.6967 -2.6967 -2.4713 -2.4713 -2.4693 -2.4693 2.2185 2.2185 k = 0.2411 0.1875-0.0000 ( 13692 PWs) bands (ev): -93.1057 -93.1057 -93.1057 -93.1057 -59.9659 -59.9659 -59.9658 -59.9658 -46.5229 -46.5229 -46.5229 -46.5229 -46.3759 -46.3759 -46.3759 -46.3759 -4.3370 -4.3370 -4.3354 -4.3354 -3.7197 -3.7197 -3.7193 -3.7193 -3.5533 -3.5533 -3.5453 -3.5453 -2.7299 -2.7299 -2.7258 -2.7258 -2.7240 -2.7240 -2.7088 -2.7088 -2.4858 -2.4858 -2.4837 -2.4837 2.1242 2.1295 k = 0.2321 0.1875-0.0000 ( 13698 PWs) bands (ev): -93.1060 -93.1060 -93.1060 -93.1060 -59.9648 -59.9648 -59.9648 -59.9648 -46.5172 -46.5172 -46.5172 -46.5172 -46.3768 -46.3768 -46.3767 -46.3767 -4.4486 -4.4486 -4.4464 -4.4464 -3.7112 -3.7112 -3.7107 -3.7107 -3.5502 -3.5502 -3.5418 -3.5418 -2.7364 -2.7364 -2.7178 -2.7178 -2.6835 -2.6835 -2.6813 -2.6813 -2.5001 -2.5001 -2.4980 -2.4980 2.0315 2.0315 k = 0.2232 0.1875-0.0000 ( 13710 PWs) bands (ev): -93.1063 -93.1063 -93.1063 -93.1063 -59.9638 -59.9638 -59.9638 -59.9638 -46.5115 -46.5115 -46.5115 -46.5115 -46.3776 -46.3776 -46.3776 -46.3776 -4.5663 -4.5663 -4.5637 -4.5637 -3.7046 -3.7046 -3.7040 -3.7040 -3.5392 -3.5392 -3.5300 -3.5300 -2.7399 -2.7399 -2.7222 -2.7222 -2.6376 -2.6376 -2.6352 -2.6352 -2.5143 -2.5143 -2.5122 -2.5122 1.9407 1.9407 k = 0.2143 0.1875-0.0000 ( 13698 PWs) bands (ev): -93.1066 -93.1066 -93.1066 -93.1066 -59.9628 -59.9628 -59.9627 -59.9627 -46.5058 -46.5058 -46.5058 -46.5058 -46.3785 -46.3785 -46.3784 -46.3784 -4.6860 -4.6860 -4.6832 -4.6832 -3.6997 -3.6997 -3.6989 -3.6989 -3.5248 -3.5248 -3.5145 -3.5145 -2.7386 -2.7386 -2.7220 -2.7220 -2.5890 -2.5890 -2.5864 -2.5864 -2.5283 -2.5283 -2.5261 -2.5261 1.8507 1.8507 k = 0.2054 0.1875-0.0000 ( 13686 PWs) bands (ev): -93.1070 -93.1070 -93.1069 -93.1069 -59.9617 -59.9617 -59.9617 -59.9617 -46.5002 -46.5002 -46.5002 -46.5002 -46.3793 -46.3793 -46.3793 -46.3793 -4.8054 -4.8054 -4.8024 -4.8024 -3.6962 -3.6962 -3.6953 -3.6953 -3.5099 -3.5099 -3.4982 -3.4982 -2.7320 -2.7320 -2.7166 -2.7166 -2.5423 -2.5423 -2.5404 -2.5404 -2.5372 -2.5372 -2.5350 -2.5350 1.7614 1.7615 k = 0.1964 0.1875-0.0000 ( 13682 PWs) bands (ev): -93.1073 -93.1073 -93.1073 -93.1073 -59.9607 -59.9607 -59.9607 -59.9607 -46.4947 -46.4947 -46.4947 -46.4947 -46.3801 -46.3801 -46.3801 -46.3801 -4.9228 -4.9228 -4.9197 -4.9197 -3.6941 -3.6941 -3.6931 -3.6931 -3.4964 -3.4964 -3.4831 -3.4831 -2.7198 -2.7198 -2.7057 -2.7057 -2.5557 -2.5557 -2.5534 -2.5534 -2.4845 -2.4845 -2.4817 -2.4817 1.6738 1.6738 k = 0.1875 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1076 -93.1076 -93.1075 -93.1075 -59.9597 -59.9597 -59.9597 -59.9597 -46.4893 -46.4893 -46.4892 -46.4892 -46.3809 -46.3809 -46.3809 -46.3809 -5.0372 -5.0372 -5.0340 -5.0340 -3.6932 -3.6932 -3.6920 -3.6920 -3.4852 -3.4852 -3.4702 -3.4702 -2.7019 -2.7019 -2.6892 -2.6892 -2.5689 -2.5689 -2.5665 -2.5665 -2.4295 -2.4295 -2.4266 -2.4266 1.5880 1.5880 k = 0.1786 0.1875-0.0000 ( 13680 PWs) bands (ev): -93.1079 -93.1079 -93.1079 -93.1079 -59.9588 -59.9588 -59.9588 -59.9588 -46.4840 -46.4840 -46.4839 -46.4839 -46.3817 -46.3817 -46.3817 -46.3817 -5.1480 -5.1480 -5.1448 -5.1448 -3.6933 -3.6933 -3.6920 -3.6920 -3.4770 -3.4770 -3.4602 -3.4602 -2.6785 -2.6785 -2.6672 -2.6672 -2.5817 -2.5817 -2.5793 -2.5793 -2.3729 -2.3729 -2.3699 -2.3699 1.5041 1.5041 k = 0.1696 0.1875-0.0000 ( 13672 PWs) bands (ev): -93.1081 -93.1081 -93.1081 -93.1081 -59.9578 -59.9578 -59.9578 -59.9578 -46.4788 -46.4788 -46.4788 -46.4788 -46.3825 -46.3825 -46.3825 -46.3825 -5.2547 -5.2547 -5.2514 -5.2514 -3.6941 -3.6941 -3.6928 -3.6928 -3.4719 -3.4719 -3.4534 -3.4534 -2.6500 -2.6500 -2.6401 -2.6401 -2.5939 -2.5939 -2.5917 -2.5917 -2.3152 -2.3152 -2.3120 -2.3120 1.4221 1.4221 k = 0.1607 0.1875-0.0000 ( 13664 PWs) bands (ev): -93.1084 -93.1084 -93.1084 -93.1084 -59.9569 -59.9569 -59.9569 -59.9569 -46.4738 -46.4738 -46.4738 -46.4738 -46.3832 -46.3832 -46.3832 -46.3832 -5.3570 -5.3570 -5.3537 -5.3537 -3.6957 -3.6957 -3.6942 -3.6942 -3.4697 -3.4697 -3.4496 -3.4496 -2.6187 -2.6187 -2.6093 -2.6093 -2.6047 -2.6047 -2.6019 -2.6019 -2.2566 -2.2566 -2.2534 -2.2534 1.3421 1.3421 k = 0.1518 0.1875-0.0000 ( 13672 PWs) bands (ev): -93.1087 -93.1087 -93.1087 -93.1087 -59.9560 -59.9560 -59.9560 -59.9560 -46.4689 -46.4689 -46.4689 -46.4689 -46.3840 -46.3840 -46.3840 -46.3840 -5.4546 -5.4546 -5.4513 -5.4513 -3.6978 -3.6978 -3.6962 -3.6962 -3.4702 -3.4702 -3.4486 -3.4486 -2.6190 -2.6190 -2.6157 -2.6157 -2.5783 -2.5783 -2.5716 -2.5716 -2.1975 -2.1975 -2.1942 -2.1942 1.2643 1.2643 k = 0.1429 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1090 -93.1090 -93.1089 -93.1089 -59.9552 -59.9552 -59.9552 -59.9552 -46.4643 -46.4643 -46.4642 -46.4642 -46.3847 -46.3847 -46.3846 -46.3846 -5.5472 -5.5472 -5.5440 -5.5440 -3.7002 -3.7002 -3.6987 -3.6987 -3.4728 -3.4728 -3.4498 -3.4498 -2.6297 -2.6297 -2.6267 -2.6267 -2.5383 -2.5383 -2.5324 -2.5324 -2.1382 -2.1382 -2.1349 -2.1349 1.1887 1.1887 k = 0.1339 0.1875-0.0000 ( 13662 PWs) bands (ev): -93.1092 -93.1092 -93.1092 -93.1092 -59.9544 -59.9544 -59.9544 -59.9544 -46.4598 -46.4598 -46.4598 -46.4598 -46.3853 -46.3853 -46.3853 -46.3853 -5.6349 -5.6349 -5.6317 -5.6317 -3.7030 -3.7030 -3.7014 -3.7014 -3.4772 -3.4772 -3.4530 -3.4530 -2.6402 -2.6402 -2.6373 -2.6373 -2.4957 -2.4957 -2.4905 -2.4905 -2.0791 -2.0791 -2.0759 -2.0759 1.1154 1.1154 k = 0.1250 0.1875-0.0000 ( 13662 PWs) bands (ev): -93.1094 -93.1094 -93.1094 -93.1094 -59.9537 -59.9537 -59.9536 -59.9536 -46.4555 -46.4555 -46.4555 -46.4555 -46.3859 -46.3859 -46.3859 -46.3859 -5.7173 -5.7173 -5.7141 -5.7141 -3.7060 -3.7060 -3.7043 -3.7043 -3.4829 -3.4829 -3.4576 -3.4576 -2.6502 -2.6502 -2.6473 -2.6473 -2.4513 -2.4513 -2.4468 -2.4468 -2.0206 -2.0206 -2.0174 -2.0174 1.0447 1.0447 k = 0.1161 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1097 -93.1097 -93.1097 -93.1097 -59.9529 -59.9529 -59.9529 -59.9529 -46.4515 -46.4515 -46.4515 -46.4515 -46.3865 -46.3865 -46.3865 -46.3865 -5.7945 -5.7945 -5.7913 -5.7913 -3.7092 -3.7092 -3.7074 -3.7074 -3.4896 -3.4896 -3.4633 -3.4633 -2.6597 -2.6597 -2.6568 -2.6568 -2.4061 -2.4061 -2.4020 -2.4020 -1.9630 -1.9630 -1.9600 -1.9600 0.9767 0.9767 k = 0.1071 0.1875-0.0000 ( 13666 PWs) bands (ev): -93.1099 -93.1099 -93.1099 -93.1099 -59.9523 -59.9523 -59.9522 -59.9522 -46.4477 -46.4477 -46.4477 -46.4477 -46.3871 -46.3871 -46.3871 -46.3871 -5.8662 -5.8662 -5.8631 -5.8631 -3.7124 -3.7124 -3.7105 -3.7105 -3.4967 -3.4967 -3.4696 -3.4696 -2.6686 -2.6686 -2.6657 -2.6657 -2.3605 -2.3605 -2.3569 -2.3569 -1.9068 -1.9068 -1.9039 -1.9039 0.9117 0.9117 k = 0.0982 0.1875-0.0000 ( 13674 PWs) bands (ev): -93.1101 -93.1101 -93.1101 -93.1101 -59.9516 -59.9516 -59.9516 -59.9516 -46.4442 -46.4442 -46.4442 -46.4442 -46.3876 -46.3876 -46.3876 -46.3876 -5.9325 -5.9325 -5.9294 -5.9294 -3.7155 -3.7155 -3.7136 -3.7136 -3.5042 -3.5042 -3.4763 -3.4763 -2.6768 -2.6768 -2.6739 -2.6739 -2.3154 -2.3154 -2.3121 -2.3121 -1.8524 -1.8524 -1.8497 -1.8497 0.8499 0.8499 k = 0.0893 0.1875-0.0000 ( 13674 PWs) bands (ev): -93.1102 -93.1102 -93.1102 -93.1102 -59.9511 -59.9511 -59.9510 -59.9510 -46.4410 -46.4410 -46.4410 -46.4410 -46.3881 -46.3881 -46.3881 -46.3881 -5.9932 -5.9932 -5.9901 -5.9901 -3.7186 -3.7186 -3.7166 -3.7166 -3.5116 -3.5116 -3.4832 -3.4832 -2.6845 -2.6845 -2.6815 -2.6815 -2.2714 -2.2714 -2.2682 -2.2682 -1.8002 -1.8002 -1.7978 -1.7978 0.7916 0.7916 k = 0.0804 0.1875-0.0000 ( 13666 PWs) bands (ev): -93.1104 -93.1104 -93.1104 -93.1104 -59.9505 -59.9505 -59.9505 -59.9505 -46.4380 -46.4380 -46.4380 -46.4380 -46.3885 -46.3885 -46.3885 -46.3885 -6.0482 -6.0482 -6.0452 -6.0452 -3.7215 -3.7215 -3.7195 -3.7195 -3.5189 -3.5189 -3.4899 -3.4899 -2.6914 -2.6914 -2.6885 -2.6885 -2.2291 -2.2291 -2.2260 -2.2260 -1.7507 -1.7507 -1.7486 -1.7486 0.7372 0.7372 k = 0.0714 0.1875-0.0000 ( 13654 PWs) bands (ev): -93.1105 -93.1105 -93.1105 -93.1105 -59.9500 -59.9500 -59.9500 -59.9500 -46.4353 -46.4353 -46.4353 -46.4353 -46.3889 -46.3889 -46.3889 -46.3889 -6.0977 -6.0977 -6.0946 -6.0946 -3.7242 -3.7242 -3.7222 -3.7222 -3.5257 -3.5257 -3.4963 -3.4963 -2.6977 -2.6977 -2.6947 -2.6947 -2.1892 -2.1892 -2.1860 -2.1860 -1.7045 -1.7045 -1.7027 -1.7027 0.6869 0.6869 k = 0.0625 0.1875-0.0000 ( 13674 PWs) bands (ev): -93.1107 -93.1107 -93.1107 -93.1107 -59.9496 -59.9496 -59.9496 -59.9496 -46.4329 -46.4329 -46.4329 -46.4329 -46.3893 -46.3893 -46.3893 -46.3893 -6.1414 -6.1414 -6.1384 -6.1384 -3.7267 -3.7267 -3.7247 -3.7247 -3.5321 -3.5321 -3.5023 -3.5023 -2.7033 -2.7033 -2.7003 -2.7003 -2.1521 -2.1521 -2.1489 -2.1489 -1.6620 -1.6620 -1.6605 -1.6605 0.6412 0.6412 k = 0.0536 0.1875-0.0000 ( 13674 PWs) bands (ev): -93.1108 -93.1108 -93.1108 -93.1108 -59.9492 -59.9492 -59.9492 -59.9492 -46.4308 -46.4308 -46.4308 -46.4308 -46.3896 -46.3896 -46.3896 -46.3896 -6.1794 -6.1794 -6.1764 -6.1764 -3.7290 -3.7290 -3.7269 -3.7269 -3.5379 -3.5379 -3.5076 -3.5076 -2.7082 -2.7082 -2.7052 -2.7052 -2.1186 -2.1186 -2.1152 -2.1152 -1.6237 -1.6237 -1.6226 -1.6226 0.6004 0.6004 k = 0.0446 0.1875-0.0000 ( 13666 PWs) bands (ev): -93.1109 -93.1109 -93.1109 -93.1109 -59.9489 -59.9489 -59.9489 -59.9489 -46.4290 -46.4290 -46.4290 -46.4290 -46.3899 -46.3899 -46.3898 -46.3898 -6.2115 -6.2115 -6.2086 -6.2086 -3.7309 -3.7309 -3.7288 -3.7288 -3.5429 -3.5429 -3.5124 -3.5124 -2.7123 -2.7123 -2.7093 -2.7093 -2.0891 -2.0891 -2.0855 -2.0855 -1.5902 -1.5902 -1.5895 -1.5895 0.5651 0.5651 k = 0.0357 0.1875-0.0000 ( 13666 PWs) bands (ev): -93.1110 -93.1110 -93.1110 -93.1110 -59.9487 -59.9487 -59.9486 -59.9486 -46.4275 -46.4275 -46.4275 -46.4275 -46.3901 -46.3901 -46.3901 -46.3901 -6.2379 -6.2379 -6.2349 -6.2349 -3.7325 -3.7325 -3.7304 -3.7304 -3.5470 -3.5470 -3.5163 -3.5163 -2.7157 -2.7157 -2.7127 -2.7127 -2.0641 -2.0641 -2.0605 -2.0605 -1.5620 -1.5620 -1.5616 -1.5616 0.5355 0.5355 k = 0.0268 0.1875-0.0000 ( 13670 PWs) bands (ev): -93.1110 -93.1110 -93.1110 -93.1110 -59.9485 -59.9485 -59.9485 -59.9485 -46.4264 -46.4264 -46.4264 -46.4264 -46.3902 -46.3902 -46.3902 -46.3902 -6.2584 -6.2584 -6.2555 -6.2555 -3.7338 -3.7338 -3.7317 -3.7317 -3.5504 -3.5504 -3.5195 -3.5195 -2.7184 -2.7184 -2.7154 -2.7154 -2.0442 -2.0442 -2.0404 -2.0404 -1.5396 -1.5396 -1.5394 -1.5394 0.5120 0.5120 k = 0.0179 0.1875-0.0000 ( 13644 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9483 -59.9483 -46.4255 -46.4255 -46.4255 -46.4255 -46.3904 -46.3904 -46.3903 -46.3903 -6.2731 -6.2731 -6.2701 -6.2701 -3.7347 -3.7347 -3.7326 -3.7326 -3.5527 -3.5527 -3.5217 -3.5217 -2.7203 -2.7203 -2.7172 -2.7172 -2.0297 -2.0297 -2.0257 -2.0257 -1.5232 -1.5232 -1.5232 -1.5232 0.4950 0.4950 k = 0.0089 0.1875-0.0000 ( 13644 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4251 -46.4251 -46.4250 -46.4250 -46.3904 -46.3904 -46.3904 -46.3904 -6.2819 -6.2819 -6.2789 -6.2789 -3.7353 -3.7353 -3.7331 -3.7331 -3.5542 -3.5542 -3.5231 -3.5231 -2.7215 -2.7215 -2.7184 -2.7184 -2.0208 -2.0208 -2.0168 -2.0168 -1.5134 -1.5134 -1.5132 -1.5132 0.4847 0.4847 k = 0.0000 0.1875-0.0000 ( 13658 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5547 -3.5547 -3.5236 -3.5236 -2.7219 -2.7219 -2.7188 -2.7188 -2.0179 -2.0179 -2.0138 -2.0138 -1.5102 -1.5102 -1.5099 -1.5099 0.4812 0.4812 k = 0.0000 0.1875-0.0000 ( 13658 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5547 -3.5547 -3.5236 -3.5236 -2.7219 -2.7219 -2.7188 -2.7188 -2.0179 -2.0179 -2.0138 -2.0138 -1.5102 -1.5102 -1.5099 -1.5099 0.4812 0.4812 k = 0.0000 0.1785-0.0000 ( 13642 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3904 -46.3904 -46.3904 -46.3904 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5548 -3.5548 -3.5236 -3.5236 -2.7219 -2.7219 -2.7188 -2.7188 -2.0179 -2.0179 -2.0138 -2.0138 -1.5102 -1.5102 -1.5099 -1.5099 0.4809 0.4809 k = 0.0000 0.1696-0.0000 ( 13630 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9481 -59.9481 -59.9481 -59.9481 -46.4249 -46.4249 -46.4249 -46.4249 -46.3904 -46.3904 -46.3904 -46.3904 -6.2849 -6.2849 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5552 -3.5552 -3.5237 -3.5237 -2.7219 -2.7219 -2.7188 -2.7188 -2.0180 -2.0180 -2.0138 -2.0138 -1.5101 -1.5101 -1.5099 -1.5099 0.4800 0.4800 k = 0.0000 0.1607-0.0000 ( 13640 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3904 -46.3904 -46.3904 -46.3904 -6.2849 -6.2849 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5559 -3.5559 -3.5240 -3.5240 -2.7220 -2.7220 -2.7188 -2.7188 -2.0181 -2.0181 -2.0139 -2.0139 -1.5102 -1.5102 -1.5099 -1.5099 0.4792 0.4792 k = 0.0000 0.1518-0.0000 ( 13644 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2850 -6.2850 -6.2819 -6.2819 -3.7356 -3.7356 -3.7333 -3.7333 -3.5569 -3.5569 -3.5243 -3.5243 -2.7221 -2.7221 -2.7188 -2.7188 -2.0182 -2.0182 -2.0139 -2.0139 -1.5102 -1.5102 -1.5099 -1.5099 0.4784 0.4784 k = 0.0000 0.1428-0.0000 ( 13662 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2851 -6.2851 -6.2820 -6.2820 -3.7357 -3.7357 -3.7334 -3.7334 -3.5580 -3.5580 -3.5246 -3.5246 -2.7222 -2.7222 -2.7189 -2.7189 -2.0184 -2.0184 -2.0140 -2.0140 -1.5102 -1.5102 -1.5100 -1.5100 0.4778 0.4778 k = 0.0000 0.1339-0.0000 ( 13656 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2852 -6.2852 -6.2820 -6.2820 -3.7357 -3.7357 -3.7334 -3.7334 -3.5594 -3.5594 -3.5251 -3.5251 -2.7224 -2.7224 -2.7189 -2.7189 -2.0186 -2.0186 -2.0140 -2.0140 -1.5102 -1.5102 -1.5100 -1.5100 0.4771 0.4771 k = 0.0000 0.1250-0.0000 ( 13672 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2853 -6.2853 -6.2821 -6.2821 -3.7358 -3.7358 -3.7335 -3.7335 -3.5609 -3.5609 -3.5256 -3.5256 -2.7226 -2.7226 -2.7190 -2.7190 -2.0189 -2.0189 -2.0141 -2.0141 -1.5102 -1.5102 -1.5100 -1.5100 0.4761 0.4761 k = 0.0000 0.1161-0.0000 ( 13674 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2854 -6.2854 -6.2821 -6.2821 -3.7359 -3.7359 -3.7335 -3.7335 -3.5625 -3.5625 -3.5262 -3.5262 -2.7228 -2.7228 -2.7191 -2.7191 -2.0191 -2.0191 -2.0142 -2.0142 -1.5102 -1.5102 -1.5100 -1.5100 0.4746 0.4746 k = 0.0000 0.1071-0.0000 ( 13690 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2855 -6.2855 -6.2822 -6.2822 -3.7360 -3.7360 -3.7336 -3.7336 -3.5642 -3.5642 -3.5268 -3.5268 -2.7230 -2.7230 -2.7191 -2.7191 -2.0194 -2.0194 -2.0143 -2.0143 -1.5103 -1.5103 -1.5100 -1.5100 0.4725 0.4725 k = 0.0000 0.0982-0.0000 ( 13676 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2856 -6.2856 -6.2822 -6.2822 -3.7361 -3.7361 -3.7336 -3.7336 -3.5660 -3.5660 -3.5275 -3.5275 -2.7232 -2.7232 -2.7192 -2.7192 -2.0197 -2.0197 -2.0144 -2.0144 -1.5103 -1.5103 -1.5100 -1.5100 0.4698 0.4698 k = 0.0000 0.0893-0.0000 ( 13682 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2858 -6.2858 -6.2823 -6.2823 -3.7362 -3.7362 -3.7337 -3.7337 -3.5677 -3.5677 -3.5282 -3.5282 -2.7234 -2.7234 -2.7192 -2.7192 -2.0200 -2.0200 -2.0145 -2.0145 -1.5103 -1.5103 -1.5100 -1.5100 0.4665 0.4665 k = 0.0000 0.0803-0.0000 ( 13671 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2859 -6.2859 -6.2824 -6.2824 -3.7363 -3.7363 -3.7338 -3.7338 -3.5694 -3.5694 -3.5289 -3.5289 -2.7236 -2.7236 -2.7193 -2.7193 -2.0202 -2.0202 -2.0146 -2.0146 -1.5103 -1.5103 -1.5100 -1.5100 0.4627 0.4627 k = 0.0000 0.0714-0.0000 ( 13683 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2860 -6.2860 -6.2824 -6.2824 -3.7364 -3.7364 -3.7338 -3.7338 -3.5710 -3.5710 -3.5296 -3.5296 -2.7238 -2.7238 -2.7194 -2.7194 -2.0205 -2.0205 -2.0147 -2.0147 -1.5104 -1.5104 -1.5100 -1.5100 0.4587 0.4587 k = 0.0000 0.0625-0.0000 ( 13691 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2861 -6.2861 -6.2825 -6.2825 -3.7365 -3.7365 -3.7339 -3.7339 -3.5725 -3.5725 -3.5302 -3.5302 -2.7240 -2.7240 -2.7194 -2.7194 -2.0207 -2.0207 -2.0148 -2.0148 -1.5104 -1.5104 -1.5100 -1.5100 0.4546 0.4546 k = 0.0000 0.0536-0.0000 ( 13685 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2862 -6.2862 -6.2825 -6.2825 -3.7365 -3.7365 -3.7340 -3.7340 -3.5739 -3.5739 -3.5308 -3.5308 -2.7241 -2.7241 -2.7195 -2.7195 -2.0209 -2.0209 -2.0149 -2.0149 -1.5104 -1.5104 -1.5100 -1.5100 0.4507 0.4507 k = 0.0000 0.0446-0.0000 ( 13677 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2863 -6.2863 -6.2826 -6.2826 -3.7366 -3.7366 -3.7340 -3.7340 -3.5751 -3.5751 -3.5313 -3.5313 -2.7243 -2.7243 -2.7195 -2.7195 -2.0210 -2.0210 -2.0150 -2.0150 -1.5104 -1.5104 -1.5100 -1.5100 0.4470 0.4470 k = 0.0000 0.0357-0.0000 ( 13683 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2864 -6.2864 -6.2826 -6.2826 -3.7366 -3.7366 -3.7341 -3.7341 -3.5761 -3.5761 -3.5318 -3.5318 -2.7244 -2.7244 -2.7196 -2.7196 -2.0212 -2.0212 -2.0151 -2.0151 -1.5104 -1.5104 -1.5100 -1.5100 0.4438 0.4438 k = 0.0000 0.0268-0.0000 ( 13689 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2864 -6.2864 -6.2827 -6.2827 -3.7367 -3.7367 -3.7341 -3.7341 -3.5770 -3.5770 -3.5322 -3.5322 -2.7245 -2.7245 -2.7196 -2.7196 -2.0213 -2.0213 -2.0151 -2.0151 -1.5104 -1.5104 -1.5101 -1.5101 0.4411 0.4411 k = 0.0000 0.0179-0.0000 ( 13713 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7367 -3.7367 -3.7342 -3.7342 -3.5776 -3.5776 -3.5325 -3.5325 -2.7246 -2.7246 -2.7197 -2.7197 -2.0214 -2.0214 -2.0152 -2.0152 -1.5104 -1.5104 -1.5101 -1.5101 0.4392 0.4392 k = 0.0000 0.0089-0.0000 ( 13691 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7367 -3.7367 -3.7342 -3.7342 -3.5779 -3.5779 -3.5326 -3.5326 -2.7246 -2.7246 -2.7196 -2.7196 -2.0215 -2.0215 -2.0152 -2.0152 -1.5104 -1.5104 -1.5101 -1.5101 0.4380 0.4380 k = 0.0000 0.0000 0.0000 ( 13689 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7368 -3.7368 -3.7342 -3.7342 -3.5780 -3.5780 -3.5327 -3.5327 -2.7246 -2.7246 -2.7196 -2.7196 -2.0215 -2.0215 -2.0152 -2.0152 -1.5105 -1.5105 -1.5100 -1.5100 0.4376 0.4376 k = 0.0000 0.0000 0.0000 ( 13689 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7368 -3.7368 -3.7342 -3.7342 -3.5780 -3.5780 -3.5327 -3.5327 -2.7246 -2.7246 -2.7196 -2.7196 -2.0215 -2.0215 -2.0152 -2.0152 -1.5105 -1.5105 -1.5100 -1.5100 0.4376 0.4376 k = 0.0000 0.0000 0.0085 ( 13691 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2865 -6.2865 -6.2827 -6.2827 -3.7367 -3.7367 -3.7342 -3.7342 -3.5779 -3.5779 -3.5329 -3.5329 -2.7246 -2.7246 -2.7197 -2.7197 -2.0215 -2.0215 -2.0152 -2.0152 -1.5104 -1.5104 -1.5101 -1.5101 0.4391 0.4391 k = 0.0000 0.0000 0.0169 ( 13697 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2864 -6.2864 -6.2827 -6.2827 -3.7367 -3.7367 -3.7342 -3.7342 -3.5774 -3.5774 -3.5334 -3.5334 -2.7246 -2.7246 -2.7197 -2.7197 -2.0214 -2.0214 -2.0153 -2.0153 -1.5104 -1.5104 -1.5101 -1.5101 0.4436 0.4436 k = 0.0000 0.0000 0.0254 ( 13695 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2864 -6.2864 -6.2828 -6.2828 -3.7367 -3.7367 -3.7342 -3.7342 -3.5766 -3.5766 -3.5342 -3.5342 -2.7245 -2.7245 -2.7198 -2.7198 -2.0213 -2.0213 -2.0154 -2.0154 -1.5104 -1.5104 -1.5101 -1.5101 0.4512 0.4512 k = 0.0000 0.0000 0.0339 ( 13697 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2863 -6.2863 -6.2829 -6.2829 -3.7366 -3.7366 -3.7343 -3.7343 -3.5755 -3.5755 -3.5354 -3.5354 -2.7243 -2.7243 -2.7199 -2.7199 -2.0212 -2.0212 -2.0156 -2.0156 -1.5104 -1.5104 -1.5101 -1.5101 0.4617 0.4617 k = 0.0000 0.0000 0.0424 ( 13705 PWs) bands (ev): -93.1112 -93.1112 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2862 -6.2862 -6.2830 -6.2830 -3.7365 -3.7365 -3.7344 -3.7344 -3.5742 -3.5742 -3.5369 -3.5369 -2.7242 -2.7242 -2.7201 -2.7201 -2.0210 -2.0210 -2.0158 -2.0158 -1.5104 -1.5104 -1.5101 -1.5101 0.4749 0.4749 k = 0.0000 0.0000 0.0508 ( 13697 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2860 -6.2860 -6.2832 -6.2832 -3.7364 -3.7364 -3.7345 -3.7345 -3.5725 -3.5725 -3.5386 -3.5386 -2.7240 -2.7240 -2.7203 -2.7203 -2.0208 -2.0208 -2.0161 -2.0161 -1.5104 -1.5104 -1.5101 -1.5101 0.4908 0.4908 k = 0.0000 0.0000 0.0593 ( 13699 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2859 -6.2859 -6.2833 -6.2833 -3.7363 -3.7363 -3.7346 -3.7346 -3.5706 -3.5706 -3.5406 -3.5406 -2.7238 -2.7238 -2.7205 -2.7205 -2.0206 -2.0206 -2.0164 -2.0164 -1.5104 -1.5104 -1.5101 -1.5101 0.5092 0.5092 k = 0.0000 0.0000 0.0678 ( 13695 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2857 -6.2857 -6.2835 -6.2835 -3.7362 -3.7362 -3.7347 -3.7347 -3.5686 -3.5686 -3.5428 -3.5428 -2.7236 -2.7236 -2.7207 -2.7207 -2.0203 -2.0203 -2.0167 -2.0167 -1.5104 -1.5104 -1.5101 -1.5101 0.5299 0.5299 k = 0.0000 0.0000 0.0762 ( 13712 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2855 -6.2855 -6.2837 -6.2837 -3.7361 -3.7361 -3.7348 -3.7348 -3.5663 -3.5663 -3.5452 -3.5452 -2.7233 -2.7233 -2.7210 -2.7210 -2.0200 -2.0200 -2.0170 -2.0170 -1.5104 -1.5104 -1.5102 -1.5102 0.5525 0.5525 k = 0.0000 0.0000 0.0847 ( 13708 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2853 -6.2853 -6.2839 -6.2839 -3.7359 -3.7359 -3.7350 -3.7350 -3.5638 -3.5638 -3.5477 -3.5477 -2.7231 -2.7231 -2.7213 -2.7213 -2.0196 -2.0196 -2.0174 -2.0174 -1.5103 -1.5103 -1.5102 -1.5102 0.5768 0.5768 k = 0.0000 0.0000 0.0932 ( 13710 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2851 -6.2851 -6.2841 -6.2841 -3.7358 -3.7358 -3.7351 -3.7351 -3.5612 -3.5612 -3.5504 -3.5504 -2.7228 -2.7228 -2.7216 -2.7216 -2.0193 -2.0193 -2.0178 -2.0178 -1.5103 -1.5103 -1.5102 -1.5102 0.6025 0.6025 k = 0.0000 0.0000 0.1017 ( 13714 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2848 -6.2848 -6.2844 -6.2844 -3.7356 -3.7356 -3.7353 -3.7353 -3.5586 -3.5586 -3.5531 -3.5531 -2.7225 -2.7225 -2.7219 -2.7219 -2.0189 -2.0189 -2.0182 -2.0182 -1.5103 -1.5103 -1.5103 -1.5103 0.6291 0.6291 k = 0.0000 0.0000 0.1101 ( 13710 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2846 -6.2846 -3.7355 -3.7355 -3.7355 -3.7355 -3.5558 -3.5558 -3.5558 -3.5558 -2.7222 -2.7222 -2.7222 -2.7222 -2.0185 -2.0185 -2.0185 -2.0185 -1.5102 -1.5102 -1.5102 -1.5102 0.6563 0.6563 k = 0.0000 0.0000 0.1101 ( 13710 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2846 -6.2846 -3.7355 -3.7355 -3.7355 -3.7355 -3.5558 -3.5558 -3.5558 -3.5558 -2.7222 -2.7222 -2.7222 -2.7222 -2.0185 -2.0185 -2.0185 -2.0185 -1.5102 -1.5102 -1.5102 -1.5102 0.6563 0.6563 k = 0.0089-0.0000 0.1101 ( 13716 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9483 -59.9483 -46.4251 -46.4251 -46.4251 -46.4251 -46.3905 -46.3905 -46.3905 -46.3905 -6.2817 -6.2817 -6.2817 -6.2817 -3.7353 -3.7353 -3.7353 -3.7353 -3.5553 -3.5553 -3.5553 -3.5553 -2.7218 -2.7218 -2.7218 -2.7218 -2.0215 -2.0215 -2.0215 -2.0215 -1.5135 -1.5135 -1.5135 -1.5135 0.6598 0.6598 k = 0.0179-0.0000 0.1101 ( 13704 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9484 -59.9484 -59.9484 -59.9484 -46.4256 -46.4256 -46.4256 -46.4256 -46.3904 -46.3904 -46.3904 -46.3904 -6.2729 -6.2729 -6.2729 -6.2729 -3.7347 -3.7347 -3.7347 -3.7347 -3.5539 -3.5539 -3.5539 -3.5539 -2.7207 -2.7207 -2.7206 -2.7206 -2.0303 -2.0303 -2.0303 -2.0303 -1.5233 -1.5233 -1.5233 -1.5233 0.6701 0.6702 k = 0.0268-0.0000 0.1101 ( 13712 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9485 -59.9485 -59.9485 -59.9485 -46.4264 -46.4264 -46.4264 -46.4264 -46.3903 -46.3903 -46.3903 -46.3903 -6.2582 -6.2582 -6.2582 -6.2582 -3.7338 -3.7338 -3.7338 -3.7338 -3.5515 -3.5515 -3.5514 -3.5514 -2.7187 -2.7187 -2.7187 -2.7187 -2.0448 -2.0448 -2.0448 -2.0448 -1.5394 -1.5394 -1.5394 -1.5394 0.6872 0.6873 k = 0.0357-0.0000 0.1101 ( 13706 PWs) bands (ev): -93.1110 -93.1110 -93.1110 -93.1110 -59.9487 -59.9487 -59.9487 -59.9487 -46.4275 -46.4275 -46.4275 -46.4275 -46.3901 -46.3901 -46.3901 -46.3901 -6.2377 -6.2377 -6.2377 -6.2377 -3.7325 -3.7325 -3.7325 -3.7325 -3.5481 -3.5481 -3.5481 -3.5481 -2.7161 -2.7161 -2.7161 -2.7161 -2.0647 -2.0647 -2.0647 -2.0647 -1.5616 -1.5616 -1.5615 -1.5615 0.7108 0.7110 k = 0.0446-0.0000 0.1101 ( 13718 PWs) bands (ev): -93.1109 -93.1109 -93.1109 -93.1109 -59.9490 -59.9490 -59.9490 -59.9490 -46.4290 -46.4290 -46.4290 -46.4290 -46.3899 -46.3899 -46.3899 -46.3899 -6.2113 -6.2113 -6.2113 -6.2113 -3.7309 -3.7309 -3.7309 -3.7309 -3.5439 -3.5439 -3.5439 -3.5439 -2.7127 -2.7127 -2.7127 -2.7127 -2.0896 -2.0896 -2.0896 -2.0896 -1.5894 -1.5894 -1.5894 -1.5894 0.7406 0.7408 k = 0.0536-0.0000 0.1101 ( 13722 PWs) bands (ev): -93.1108 -93.1108 -93.1108 -93.1108 -59.9493 -59.9493 -59.9493 -59.9493 -46.4308 -46.4308 -46.4308 -46.4308 -46.3896 -46.3896 -46.3896 -46.3896 -6.1791 -6.1791 -6.1791 -6.1791 -3.7290 -3.7290 -3.7289 -3.7289 -3.5389 -3.5389 -3.5389 -3.5389 -2.7085 -2.7085 -2.7085 -2.7085 -2.1191 -2.1191 -2.1190 -2.1190 -1.6225 -1.6225 -1.6224 -1.6224 0.7761 0.7764 k = 0.0625-0.0000 0.1101 ( 13696 PWs) bands (ev): -93.1107 -93.1107 -93.1107 -93.1107 -59.9496 -59.9496 -59.9496 -59.9496 -46.4329 -46.4329 -46.4329 -46.4329 -46.3893 -46.3893 -46.3893 -46.3893 -6.1411 -6.1411 -6.1411 -6.1411 -3.7267 -3.7267 -3.7267 -3.7267 -3.5331 -3.5331 -3.5331 -3.5331 -2.7036 -2.7036 -2.7036 -2.7036 -2.1526 -2.1526 -2.1525 -2.1525 -1.6603 -1.6603 -1.6602 -1.6602 0.8172 0.8175 k = 0.0714-0.0000 0.1101 ( 13704 PWs) bands (ev): -93.1106 -93.1106 -93.1106 -93.1106 -59.9501 -59.9501 -59.9501 -59.9501 -46.4353 -46.4353 -46.4353 -46.4353 -46.3890 -46.3890 -46.3890 -46.3890 -6.0974 -6.0974 -6.0974 -6.0974 -3.7242 -3.7242 -3.7242 -3.7242 -3.5267 -3.5267 -3.5267 -3.5267 -2.6980 -2.6980 -2.6980 -2.6980 -2.1897 -2.1897 -2.1896 -2.1896 -1.7024 -1.7024 -1.7024 -1.7024 0.8633 0.8635 k = 0.0804-0.0000 0.1101 ( 13708 PWs) bands (ev): -93.1104 -93.1104 -93.1104 -93.1104 -59.9506 -59.9506 -59.9506 -59.9506 -46.4380 -46.4380 -46.4380 -46.4380 -46.3886 -46.3886 -46.3886 -46.3886 -6.0480 -6.0480 -6.0480 -6.0480 -3.7215 -3.7215 -3.7214 -3.7214 -3.5198 -3.5198 -3.5197 -3.5197 -2.6917 -2.6917 -2.6917 -2.6917 -2.2296 -2.2296 -2.2295 -2.2295 -1.7483 -1.7483 -1.7482 -1.7482 0.9140 0.9142 k = 0.0893-0.0000 0.1101 ( 13716 PWs) bands (ev): -93.1103 -93.1103 -93.1103 -93.1103 -59.9511 -59.9511 -59.9511 -59.9511 -46.4410 -46.4410 -46.4410 -46.4410 -46.3881 -46.3881 -46.3881 -46.3881 -5.9929 -5.9929 -5.9929 -5.9929 -3.7186 -3.7186 -3.7185 -3.7185 -3.5125 -3.5125 -3.5124 -3.5124 -2.6848 -2.6848 -2.6847 -2.6847 -2.2719 -2.2719 -2.2718 -2.2718 -1.7974 -1.7974 -1.7974 -1.7974 0.9690 0.9692 k = 0.0982-0.0000 0.1101 ( 13708 PWs) bands (ev): -93.1101 -93.1101 -93.1101 -93.1101 -59.9517 -59.9517 -59.9517 -59.9517 -46.4442 -46.4442 -46.4442 -46.4442 -46.3876 -46.3876 -46.3876 -46.3876 -5.9322 -5.9322 -5.9322 -5.9322 -3.7155 -3.7155 -3.7155 -3.7155 -3.5050 -3.5050 -3.5049 -3.5049 -2.6771 -2.6771 -2.6771 -2.6771 -2.3159 -2.3159 -2.3158 -2.3158 -1.8493 -1.8493 -1.8493 -1.8493 1.0278 1.0280 k = 0.1071-0.0000 0.1101 ( 13704 PWs) bands (ev): -93.1099 -93.1099 -93.1099 -93.1099 -59.9523 -59.9523 -59.9523 -59.9523 -46.4478 -46.4478 -46.4478 -46.4478 -46.3871 -46.3871 -46.3871 -46.3871 -5.8660 -5.8660 -5.8660 -5.8660 -3.7124 -3.7124 -3.7123 -3.7123 -3.4975 -3.4975 -3.4974 -3.4974 -2.6688 -2.6688 -2.6688 -2.6688 -2.3610 -2.3610 -2.3609 -2.3609 -1.9036 -1.9036 -1.9035 -1.9035 1.0902 1.0903 k = 0.1161-0.0000 0.1101 ( 13714 PWs) bands (ev): -93.1097 -93.1097 -93.1097 -93.1097 -59.9530 -59.9530 -59.9530 -59.9530 -46.4515 -46.4515 -46.4515 -46.4515 -46.3866 -46.3866 -46.3866 -46.3866 -5.7942 -5.7942 -5.7942 -5.7942 -3.7092 -3.7092 -3.7091 -3.7091 -3.4902 -3.4902 -3.4902 -3.4902 -2.6599 -2.6599 -2.6598 -2.6598 -2.4066 -2.4066 -2.4064 -2.4064 -1.9596 -1.9596 -1.9596 -1.9596 1.1558 1.1559 k = 0.1250-0.0000 0.1101 ( 13706 PWs) bands (ev): -93.1094 -93.1094 -93.1094 -93.1094 -59.9537 -59.9537 -59.9537 -59.9537 -46.4556 -46.4556 -46.4556 -46.4556 -46.3860 -46.3860 -46.3860 -46.3860 -5.7171 -5.7171 -5.7171 -5.7171 -3.7060 -3.7060 -3.7060 -3.7060 -3.4836 -3.4836 -3.4835 -3.4835 -2.6504 -2.6504 -2.6503 -2.6503 -2.4519 -2.4519 -2.4518 -2.4518 -2.0171 -2.0171 -2.0170 -2.0170 1.2244 1.2244 k = 0.1339-0.0000 0.1101 ( 13698 PWs) bands (ev): -93.1092 -93.1092 -93.1092 -93.1092 -59.9544 -59.9544 -59.9544 -59.9544 -46.4598 -46.4598 -46.4598 -46.4598 -46.3853 -46.3853 -46.3853 -46.3853 -5.6347 -5.6347 -5.6347 -5.6347 -3.7030 -3.7030 -3.7030 -3.7030 -3.4778 -3.4778 -3.4777 -3.4777 -2.6403 -2.6403 -2.6402 -2.6402 -2.4963 -2.4963 -2.4961 -2.4961 -2.0755 -2.0755 -2.0755 -2.0755 1.2956 1.2957 k = 0.1429-0.0000 0.1101 ( 13678 PWs) bands (ev): -93.1090 -93.1090 -93.1090 -93.1090 -59.9552 -59.9552 -59.9552 -59.9552 -46.4643 -46.4643 -46.4643 -46.4643 -46.3847 -46.3847 -46.3847 -46.3847 -5.5470 -5.5470 -5.5470 -5.5470 -3.7002 -3.7002 -3.7002 -3.7002 -3.4733 -3.4733 -3.4732 -3.4732 -2.6297 -2.6297 -2.6296 -2.6296 -2.5391 -2.5391 -2.5389 -2.5389 -2.1346 -2.1346 -2.1345 -2.1345 1.3695 1.3695 k = 0.1518-0.0000 0.1101 ( 13678 PWs) bands (ev): -93.1087 -93.1087 -93.1087 -93.1087 -59.9561 -59.9561 -59.9561 -59.9561 -46.4689 -46.4689 -46.4689 -46.4689 -46.3840 -46.3840 -46.3840 -46.3840 -5.4543 -5.4543 -5.4543 -5.4543 -3.6977 -3.6977 -3.6977 -3.6977 -3.4706 -3.4706 -3.4705 -3.4705 -2.6187 -2.6187 -2.6185 -2.6185 -2.5794 -2.5794 -2.5791 -2.5791 -2.1939 -2.1939 -2.1938 -2.1938 1.4455 1.4456 k = 0.1607-0.0000 0.1101 ( 13680 PWs) bands (ev): -93.1084 -93.1084 -93.1084 -93.1084 -59.9569 -59.9569 -59.9569 -59.9569 -46.4738 -46.4738 -46.4738 -46.4738 -46.3832 -46.3832 -46.3832 -46.3832 -5.3567 -5.3567 -5.3567 -5.3567 -3.6956 -3.6956 -3.6956 -3.6956 -3.4700 -3.4700 -3.4700 -3.4700 -2.6178 -2.6178 -2.6171 -2.6171 -2.6063 -2.6063 -2.6056 -2.6056 -2.2530 -2.2530 -2.2530 -2.2530 1.5239 1.5241 k = 0.1696-0.0000 0.1101 ( 13668 PWs) bands (ev): -93.1081 -93.1081 -93.1081 -93.1081 -59.9578 -59.9578 -59.9578 -59.9578 -46.4788 -46.4788 -46.4788 -46.4788 -46.3825 -46.3825 -46.3825 -46.3825 -5.2545 -5.2545 -5.2545 -5.2545 -3.6941 -3.6941 -3.6940 -3.6940 -3.4721 -3.4721 -3.4721 -3.4721 -2.6501 -2.6501 -2.6501 -2.6501 -2.5946 -2.5946 -2.5945 -2.5945 -2.3117 -2.3117 -2.3117 -2.3117 1.6042 1.6046 k = 0.1786-0.0000 0.1101 ( 13656 PWs) bands (ev): -93.1078 -93.1078 -93.1078 -93.1078 -59.9587 -59.9587 -59.9587 -59.9587 -46.4839 -46.4839 -46.4839 -46.4839 -46.3817 -46.3817 -46.3817 -46.3817 -5.1478 -5.1478 -5.1478 -5.1478 -3.6932 -3.6932 -3.6932 -3.6932 -3.4771 -3.4771 -3.4771 -3.4771 -2.6787 -2.6787 -2.6787 -2.6787 -2.5821 -2.5821 -2.5820 -2.5820 -2.3696 -2.3696 -2.3695 -2.3695 1.6867 1.6869 k = 0.1875-0.0000 0.1101 ( 13664 PWs) bands (ev): -93.1076 -93.1076 -93.1076 -93.1076 -59.9597 -59.9597 -59.9597 -59.9597 -46.4893 -46.4893 -46.4893 -46.4893 -46.3809 -46.3809 -46.3809 -46.3809 -5.0370 -5.0370 -5.0370 -5.0370 -3.6932 -3.6932 -3.6931 -3.6931 -3.4853 -3.4853 -3.4852 -3.4852 -2.7022 -2.7022 -2.7022 -2.7022 -2.5692 -2.5692 -2.5692 -2.5692 -2.4263 -2.4263 -2.4262 -2.4262 1.7709 1.7713 k = 0.1964-0.0000 0.1101 ( 13680 PWs) bands (ev): -93.1073 -93.1073 -93.1073 -93.1073 -59.9607 -59.9607 -59.9607 -59.9607 -46.4947 -46.4947 -46.4947 -46.4947 -46.3801 -46.3801 -46.3801 -46.3801 -4.9226 -4.9226 -4.9226 -4.9226 -3.6941 -3.6941 -3.6941 -3.6941 -3.4964 -3.4964 -3.4964 -3.4964 -2.7202 -2.7202 -2.7202 -2.7202 -2.5561 -2.5561 -2.5559 -2.5559 -2.4815 -2.4815 -2.4814 -2.4814 1.8569 1.8576 k = 0.2054-0.0000 0.1101 ( 13664 PWs) bands (ev): -93.1069 -93.1069 -93.1069 -93.1069 -59.9617 -59.9617 -59.9617 -59.9617 -46.5002 -46.5002 -46.5002 -46.5002 -46.3793 -46.3793 -46.3793 -46.3793 -4.8052 -4.8052 -4.8052 -4.8052 -3.6962 -3.6962 -3.6962 -3.6962 -3.5099 -3.5099 -3.5099 -3.5099 -2.7324 -2.7324 -2.7324 -2.7324 -2.5438 -2.5438 -2.5425 -2.5425 -2.5349 -2.5349 -2.5335 -2.5335 1.9446 1.9452 k = 0.2143-0.0000 0.1101 ( 13664 PWs) bands (ev): -93.1066 -93.1066 -93.1066 -93.1066 -59.9627 -59.9627 -59.9627 -59.9627 -46.5058 -46.5058 -46.5058 -46.5058 -46.3784 -46.3784 -46.3784 -46.3784 -4.6859 -4.6859 -4.6858 -4.6858 -3.6997 -3.6997 -3.6996 -3.6996 -3.5248 -3.5248 -3.5247 -3.5247 -2.7390 -2.7390 -2.7390 -2.7390 -2.5864 -2.5864 -2.5862 -2.5862 -2.5285 -2.5285 -2.5283 -2.5283 2.0340 2.0344 k = 0.2232-0.0000 0.1101 ( 13652 PWs) bands (ev): -93.1063 -93.1063 -93.1063 -93.1063 -59.9637 -59.9637 -59.9637 -59.9637 -46.5115 -46.5115 -46.5115 -46.5115 -46.3776 -46.3776 -46.3776 -46.3776 -4.5661 -4.5661 -4.5661 -4.5661 -3.7046 -3.7046 -3.7045 -3.7045 -3.5391 -3.5391 -3.5391 -3.5391 -2.7404 -2.7404 -2.7403 -2.7403 -2.6351 -2.6351 -2.6350 -2.6350 -2.5145 -2.5145 -2.5144 -2.5144 2.1248 2.1248 k = 0.2321-0.0000 0.1101 ( 13652 PWs) bands (ev): -93.1060 -93.1060 -93.1060 -93.1060 -59.9648 -59.9648 -59.9648 -59.9648 -46.5172 -46.5172 -46.5172 -46.5172 -46.3767 -46.3767 -46.3767 -46.3767 -4.4484 -4.4484 -4.4484 -4.4484 -3.7112 -3.7112 -3.7112 -3.7112 -3.5501 -3.5501 -3.5501 -3.5501 -2.7370 -2.7370 -2.7368 -2.7368 -2.6811 -2.6811 -2.6810 -2.6810 -2.5003 -2.5003 -2.5002 -2.5002 2.2175 2.2195 k = 0.2411-0.0000 0.1101 ( 13648 PWs) bands (ev): -93.1057 -93.1057 -93.1057 -93.1057 -59.9658 -59.9658 -59.9658 -59.9658 -46.5229 -46.5229 -46.5229 -46.5229 -46.3759 -46.3759 -46.3759 -46.3759 -4.3369 -4.3369 -4.3369 -4.3369 -3.7197 -3.7197 -3.7196 -3.7196 -3.5531 -3.5531 -3.5531 -3.5531 -2.7319 -2.7319 -2.7306 -2.7306 -2.7225 -2.7225 -2.7212 -2.7212 -2.4859 -2.4859 -2.4858 -2.4858 2.3118 2.3118 k = 0.2500-0.0000 0.1101 ( 13654 PWs) bands (ev): -93.1053 -93.1053 -93.1053 -93.1053 -59.9669 -59.9669 -59.9669 -59.9669 -46.5287 -46.5287 -46.5287 -46.5287 -46.3750 -46.3750 -46.3750 -46.3750 -4.2378 -4.2378 -4.2378 -4.2378 -3.7302 -3.7302 -3.7301 -3.7301 -3.5414 -3.5414 -3.5414 -3.5414 -2.7650 -2.7650 -2.7647 -2.7647 -2.7165 -2.7165 -2.7162 -2.7162 -2.4714 -2.4714 -2.4714 -2.4714 2.4077 2.4077 k = 0.2589-0.0000 0.1101 ( 13646 PWs) bands (ev): -93.1050 -93.1050 -93.1050 -93.1050 -59.9679 -59.9679 -59.9679 -59.9679 -46.5344 -46.5344 -46.5344 -46.5344 -46.3741 -46.3741 -46.3741 -46.3741 -4.1595 -4.1595 -4.1595 -4.1595 -3.7427 -3.7427 -3.7427 -3.7427 -3.5063 -3.5063 -3.5063 -3.5063 -2.8013 -2.8013 -2.8011 -2.8011 -2.7015 -2.7015 -2.7014 -2.7014 -2.4569 -2.4569 -2.4569 -2.4569 2.5051 2.5051 k = 0.2679-0.0000 0.1101 ( 13638 PWs) bands (ev): -93.1047 -93.1047 -93.1047 -93.1047 -59.9689 -59.9689 -59.9689 -59.9689 -46.5401 -46.5401 -46.5401 -46.5401 -46.3733 -46.3733 -46.3733 -46.3733 -4.1087 -4.1087 -4.1086 -4.1086 -3.7574 -3.7574 -3.7573 -3.7573 -3.4408 -3.4408 -3.4407 -3.4407 -2.8343 -2.8343 -2.8341 -2.8341 -2.6834 -2.6834 -2.6833 -2.6833 -2.4424 -2.4424 -2.4424 -2.4424 2.6040 2.6040 k = 0.2768-0.0000 0.1101 ( 13644 PWs) bands (ev): -93.1044 -93.1044 -93.1044 -93.1044 -59.9700 -59.9700 -59.9700 -59.9700 -46.5458 -46.5458 -46.5458 -46.5458 -46.3724 -46.3724 -46.3724 -46.3724 -4.0854 -4.0854 -4.0853 -4.0853 -3.7741 -3.7741 -3.7741 -3.7741 -3.3446 -3.3446 -3.3446 -3.3446 -2.8637 -2.8637 -2.8636 -2.8636 -2.6626 -2.6626 -2.6626 -2.6626 -2.4279 -2.4279 -2.4279 -2.4279 2.7044 2.7045 k = 0.2857-0.0000 0.1101 ( 13640 PWs) bands (ev): -93.1040 -93.1040 -93.1040 -93.1040 -59.9710 -59.9710 -59.9710 -59.9710 -46.5514 -46.5514 -46.5514 -46.5514 -46.3715 -46.3715 -46.3715 -46.3715 -4.0835 -4.0835 -4.0835 -4.0835 -3.7929 -3.7929 -3.7928 -3.7928 -3.2241 -3.2241 -3.2241 -3.2241 -2.8897 -2.8897 -2.8896 -2.8896 -2.6391 -2.6391 -2.6391 -2.6391 -2.4135 -2.4135 -2.4135 -2.4135 2.8063 2.8063 k = 0.2946-0.0000 0.1101 ( 13644 PWs) bands (ev): -93.1037 -93.1037 -93.1037 -93.1037 -59.9720 -59.9720 -59.9720 -59.9720 -46.5570 -46.5570 -46.5570 -46.5570 -46.3707 -46.3707 -46.3707 -46.3707 -4.0958 -4.0958 -4.0958 -4.0958 -3.8135 -3.8135 -3.8134 -3.8134 -3.0871 -3.0871 -3.0871 -3.0871 -2.9123 -2.9123 -2.9122 -2.9122 -2.6124 -2.6124 -2.6124 -2.6124 -2.3992 -2.3992 -2.3992 -2.3992 2.9095 2.9095 k = 0.3036-0.0000 0.1101 ( 13638 PWs) bands (ev): -93.1034 -93.1034 -93.1034 -93.1034 -59.9730 -59.9730 -59.9730 -59.9730 -46.5624 -46.5624 -46.5624 -46.5624 -46.3699 -46.3699 -46.3699 -46.3699 -4.1169 -4.1169 -4.1168 -4.1168 -3.8357 -3.8357 -3.8357 -3.8357 -2.9420 -2.9420 -2.9412 -2.9412 -2.9314 -2.9314 -2.9306 -2.9306 -2.5806 -2.5806 -2.5806 -2.5806 -2.3851 -2.3851 -2.3851 -2.3851 3.0141 3.0141 k = 0.3125-0.0000 0.1101 ( 13650 PWs) bands (ev): -93.1031 -93.1031 -93.1031 -93.1031 -59.9740 -59.9740 -59.9740 -59.9740 -46.5677 -46.5677 -46.5677 -46.5677 -46.3691 -46.3691 -46.3691 -46.3691 -4.1431 -4.1431 -4.1431 -4.1431 -3.8594 -3.8594 -3.8593 -3.8593 -2.9480 -2.9480 -2.9479 -2.9479 -2.7959 -2.7959 -2.7958 -2.7958 -2.5376 -2.5376 -2.5376 -2.5376 -2.3713 -2.3713 -2.3713 -2.3713 3.1200 3.1251 k = 0.3214-0.0000 0.1101 ( 13654 PWs) bands (ev): -93.1028 -93.1028 -93.1028 -93.1028 -59.9750 -59.9750 -59.9750 -59.9750 -46.5730 -46.5730 -46.5730 -46.5730 -46.3683 -46.3683 -46.3683 -46.3683 -4.1722 -4.1722 -4.1722 -4.1722 -3.8840 -3.8840 -3.8840 -3.8840 -2.9615 -2.9615 -2.9614 -2.9614 -2.6728 -2.6728 -2.6728 -2.6728 -2.4647 -2.4647 -2.4647 -2.4647 -2.3576 -2.3576 -2.3576 -2.3576 3.2269 3.2325 k = 0.3304-0.0000 0.1101 ( 13634 PWs) bands (ev): -93.1025 -93.1025 -93.1025 -93.1025 -59.9759 -59.9759 -59.9759 -59.9759 -46.5780 -46.5780 -46.5780 -46.5780 -46.3675 -46.3675 -46.3675 -46.3675 -4.2028 -4.2028 -4.2028 -4.2028 -3.9095 -3.9095 -3.9094 -3.9094 -2.9726 -2.9726 -2.9725 -2.9725 -2.5958 -2.5958 -2.5957 -2.5957 -2.3459 -2.3459 -2.3458 -2.3458 -2.3380 -2.3380 -2.3379 -2.3379 3.3349 3.3349 k = 0.3393-0.0000 0.1101 ( 13628 PWs) bands (ev): -93.1022 -93.1022 -93.1022 -93.1022 -59.9768 -59.9768 -59.9768 -59.9768 -46.5829 -46.5829 -46.5829 -46.5829 -46.3667 -46.3667 -46.3667 -46.3667 -4.2340 -4.2340 -4.2340 -4.2340 -3.9354 -3.9354 -3.9353 -3.9353 -2.9814 -2.9814 -2.9813 -2.9813 -2.5502 -2.5502 -2.5502 -2.5502 -2.3316 -2.3316 -2.3316 -2.3316 -2.1775 -2.1775 -2.1774 -2.1774 3.4436 3.4436 k = 0.3482-0.0000 0.1101 ( 13630 PWs) bands (ev): -93.1020 -93.1020 -93.1020 -93.1020 -59.9777 -59.9777 -59.9777 -59.9777 -46.5876 -46.5876 -46.5876 -46.5876 -46.3660 -46.3660 -46.3660 -46.3660 -4.2651 -4.2651 -4.2651 -4.2651 -3.9614 -3.9614 -3.9614 -3.9614 -2.9883 -2.9883 -2.9883 -2.9883 -2.5166 -2.5166 -2.5166 -2.5166 -2.3191 -2.3191 -2.3191 -2.3191 -1.9996 -1.9996 -1.9995 -1.9995 3.5528 3.5529 k = 0.3571-0.0000 0.1101 ( 13630 PWs) bands (ev): -93.1017 -93.1017 -93.1017 -93.1017 -59.9785 -59.9785 -59.9785 -59.9785 -46.5921 -46.5921 -46.5921 -46.5921 -46.3653 -46.3653 -46.3653 -46.3653 -4.2957 -4.2957 -4.2957 -4.2957 -3.9873 -3.9873 -3.9872 -3.9872 -2.9936 -2.9936 -2.9936 -2.9936 -2.4878 -2.4878 -2.4878 -2.4878 -2.3070 -2.3070 -2.3070 -2.3070 -1.8133 -1.8133 -1.8133 -1.8133 3.6622 3.6622 k = 0.3661-0.0000 0.1101 ( 13618 PWs) bands (ev): -93.1015 -93.1015 -93.1015 -93.1015 -59.9793 -59.9793 -59.9793 -59.9793 -46.5965 -46.5965 -46.5965 -46.5965 -46.3647 -46.3647 -46.3647 -46.3647 -4.3253 -4.3253 -4.3253 -4.3253 -4.0127 -4.0127 -4.0127 -4.0127 -2.9975 -2.9975 -2.9975 -2.9975 -2.4616 -2.4616 -2.4616 -2.4616 -2.2954 -2.2954 -2.2954 -2.2954 -1.6217 -1.6217 -1.6216 -1.6216 3.7710 3.7710 k = 0.3750-0.0000 0.1101 ( 13614 PWs) bands (ev): -93.1012 -93.1012 -93.1012 -93.1012 -59.9801 -59.9801 -59.9801 -59.9801 -46.6006 -46.6006 -46.6006 -46.6006 -46.3640 -46.3640 -46.3640 -46.3640 -4.3538 -4.3538 -4.3538 -4.3538 -4.0374 -4.0374 -4.0374 -4.0374 -3.0003 -3.0003 -3.0002 -3.0002 -2.4372 -2.4372 -2.4372 -2.4372 -2.2844 -2.2844 -2.2844 -2.2844 -1.4260 -1.4260 -1.4260 -1.4260 3.8782 3.8782 k = 0.3839-0.0000 0.1101 ( 13608 PWs) bands (ev): -93.1010 -93.1010 -93.1010 -93.1010 -59.9808 -59.9808 -59.9808 -59.9808 -46.6045 -46.6045 -46.6045 -46.6045 -46.3634 -46.3634 -46.3634 -46.3634 -4.3809 -4.3809 -4.3809 -4.3809 -4.0613 -4.0613 -4.0613 -4.0613 -3.0021 -3.0021 -3.0020 -3.0020 -2.4144 -2.4144 -2.4144 -2.4144 -2.2740 -2.2740 -2.2739 -2.2739 -1.2273 -1.2273 -1.2273 -1.2273 3.9818 3.9818 k = 0.3929-0.0000 0.1101 ( 13598 PWs) bands (ev): -93.1008 -93.1008 -93.1008 -93.1008 -59.9815 -59.9815 -59.9815 -59.9815 -46.6081 -46.6081 -46.6081 -46.6081 -46.3629 -46.3629 -46.3629 -46.3629 -4.4064 -4.4064 -4.4064 -4.4064 -4.0840 -4.0840 -4.0840 -4.0840 -3.0031 -3.0031 -3.0031 -3.0031 -2.3929 -2.3929 -2.3929 -2.3929 -2.2641 -2.2641 -2.2641 -2.2641 -1.0261 -1.0261 -1.0261 -1.0261 4.0774 4.0775 k = 0.4018-0.0000 0.1101 ( 13602 PWs) bands (ev): -93.1006 -93.1006 -93.1006 -93.1006 -59.9821 -59.9821 -59.9821 -59.9821 -46.6115 -46.6115 -46.6115 -46.6115 -46.3623 -46.3623 -46.3623 -46.3623 -4.4303 -4.4303 -4.4303 -4.4303 -4.1055 -4.1055 -4.1055 -4.1055 -3.0035 -3.0035 -3.0035 -3.0035 -2.3729 -2.3729 -2.3729 -2.3729 -2.2549 -2.2549 -2.2549 -2.2549 -0.8233 -0.8233 -0.8233 -0.8233 4.1527 4.1527 k = 0.4107-0.0000 0.1101 ( 13600 PWs) bands (ev): -93.1004 -93.1004 -93.1004 -93.1004 -59.9827 -59.9827 -59.9827 -59.9827 -46.6146 -46.6146 -46.6146 -46.6146 -46.3619 -46.3619 -46.3619 -46.3619 -4.4524 -4.4524 -4.4524 -4.4524 -4.1256 -4.1256 -4.1256 -4.1256 -3.0035 -3.0035 -3.0035 -3.0035 -2.3543 -2.3543 -2.3543 -2.3543 -2.2464 -2.2464 -2.2464 -2.2464 -0.6194 -0.6194 -0.6194 -0.6194 4.1699 4.1699 k = 0.4196-0.0000 0.1101 ( 13596 PWs) bands (ev): -93.1002 -93.1002 -93.1002 -93.1002 -59.9833 -59.9833 -59.9833 -59.9833 -46.6175 -46.6175 -46.6175 -46.6175 -46.3614 -46.3614 -46.3614 -46.3614 -4.4726 -4.4726 -4.4726 -4.4726 -4.1441 -4.1441 -4.1441 -4.1441 -3.0031 -3.0031 -3.0031 -3.0031 -2.3372 -2.3372 -2.3372 -2.3372 -2.2386 -2.2386 -2.2386 -2.2386 -0.4153 -0.4153 -0.4153 -0.4153 4.0763 4.0763 k = 0.4286-0.0000 0.1101 ( 13600 PWs) bands (ev): -93.1001 -93.1001 -93.1001 -93.1001 -59.9837 -59.9837 -59.9837 -59.9837 -46.6201 -46.6201 -46.6201 -46.6201 -46.3610 -46.3610 -46.3610 -46.3610 -4.4909 -4.4909 -4.4908 -4.4908 -4.1609 -4.1609 -4.1609 -4.1609 -3.0025 -3.0025 -3.0025 -3.0025 -2.3216 -2.3216 -2.3216 -2.3216 -2.2316 -2.2316 -2.2316 -2.2316 -0.2121 -0.2121 -0.2121 -0.2121 3.9048 3.9065 k = 0.4375-0.0000 0.1101 ( 13598 PWs) bands (ev): -93.1000 -93.1000 -93.1000 -93.1000 -59.9842 -59.9842 -59.9842 -59.9842 -46.6224 -46.6224 -46.6224 -46.6224 -46.3607 -46.3607 -46.3607 -46.3607 -4.5071 -4.5071 -4.5071 -4.5071 -4.1760 -4.1760 -4.1760 -4.1760 -3.0018 -3.0018 -3.0018 -3.0018 -2.3077 -2.3077 -2.3077 -2.3077 -2.2253 -2.2253 -2.2253 -2.2253 -0.0113 -0.0113 -0.0113 -0.0113 3.7081 3.7081 k = 0.4464-0.0000 0.1101 ( 13610 PWs) bands (ev): -93.0999 -93.0999 -93.0999 -93.0999 -59.9846 -59.9846 -59.9846 -59.9846 -46.6244 -46.6244 -46.6244 -46.6244 -46.3604 -46.3604 -46.3604 -46.3604 -4.5213 -4.5213 -4.5213 -4.5213 -4.1892 -4.1892 -4.1892 -4.1892 -3.0010 -3.0010 -3.0010 -3.0010 -2.2955 -2.2955 -2.2955 -2.2955 -2.2198 -2.2198 -2.2198 -2.2198 0.1853 0.1853 0.1853 0.1853 3.5071 3.5071 k = 0.4554-0.0000 0.1101 ( 13614 PWs) bands (ev): -93.0998 -93.0998 -93.0998 -93.0998 -59.9849 -59.9849 -59.9849 -59.9849 -46.6261 -46.6261 -46.6261 -46.6261 -46.3601 -46.3601 -46.3601 -46.3601 -4.5334 -4.5334 -4.5334 -4.5334 -4.2005 -4.2005 -4.2005 -4.2005 -3.0003 -3.0003 -3.0003 -3.0003 -2.2851 -2.2851 -2.2851 -2.2851 -2.2151 -2.2151 -2.2151 -2.2151 0.3747 0.3747 0.3747 0.3747 3.3108 3.3108 k = 0.4643-0.0000 0.1101 ( 13608 PWs) bands (ev): -93.0997 -93.0997 -93.0997 -93.0997 -59.9851 -59.9851 -59.9851 -59.9851 -46.6275 -46.6275 -46.6275 -46.6275 -46.3599 -46.3599 -46.3599 -46.3599 -4.5433 -4.5433 -4.5433 -4.5433 -4.2098 -4.2098 -4.2098 -4.2098 -2.9996 -2.9996 -2.9996 -2.9996 -2.2765 -2.2765 -2.2765 -2.2765 -2.2112 -2.2112 -2.2112 -2.2112 0.5523 0.5523 0.5523 0.5523 3.1262 3.1264 k = 0.4732-0.0000 0.1101 ( 13604 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9854 -59.9854 -59.9854 -59.9854 -46.6286 -46.6286 -46.6286 -46.6286 -46.3597 -46.3597 -46.3597 -46.3597 -4.5510 -4.5510 -4.5510 -4.5510 -4.2171 -4.2171 -4.2171 -4.2171 -2.9990 -2.9990 -2.9990 -2.9990 -2.2698 -2.2698 -2.2698 -2.2698 -2.2082 -2.2082 -2.2082 -2.2082 0.7114 0.7114 0.7114 0.7114 2.9611 2.9612 k = 0.4821-0.0000 0.1101 ( 13582 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9855 -59.9855 -59.9855 -59.9855 -46.6294 -46.6294 -46.6294 -46.6294 -46.3596 -46.3596 -46.3596 -46.3596 -4.5565 -4.5565 -4.5565 -4.5565 -4.2223 -4.2223 -4.2223 -4.2223 -2.9985 -2.9985 -2.9985 -2.9985 -2.2649 -2.2649 -2.2649 -2.2649 -2.2060 -2.2060 -2.2060 -2.2060 0.8416 0.8416 0.8416 0.8416 2.8263 2.8264 k = 0.4911-0.0000 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6299 -46.6299 -46.6299 -46.6299 -46.3595 -46.3595 -46.3595 -46.3595 -4.5599 -4.5599 -4.5599 -4.5599 -4.2254 -4.2254 -4.2254 -4.2254 -2.9982 -2.9982 -2.9982 -2.9982 -2.2620 -2.2620 -2.2620 -2.2620 -2.2048 -2.2048 -2.2047 -2.2047 0.9292 0.9292 0.9292 0.9292 2.7358 2.7359 k = 0.5000-0.0000 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9982 -2.9982 -2.9982 -2.9982 -2.2610 -2.2610 -2.2610 -2.2610 -2.2043 -2.2043 -2.2043 -2.2043 0.9605 0.9605 0.9605 0.9605 2.7036 2.7036 k = 0.5000-0.0000 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9982 -2.9982 -2.9982 -2.9982 -2.2610 -2.2610 -2.2610 -2.2610 -2.2043 -2.2043 -2.2043 -2.2043 0.9605 0.9605 0.9605 0.9605 2.7036 2.7036 k = 0.5000 0.0089 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9981 -2.9981 -2.9981 -2.9981 -2.2610 -2.2610 -2.2610 -2.2610 -2.2043 -2.2043 -2.2043 -2.2043 0.9605 0.9605 0.9605 0.9605 2.7038 2.7038 k = 0.5000 0.0179 0.1101 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9982 -2.9982 -2.9982 -2.9982 -2.2610 -2.2610 -2.2610 -2.2610 -2.2043 -2.2043 -2.2043 -2.2043 0.9608 0.9608 0.9608 0.9608 2.7042 2.7042 k = 0.5000 0.0268 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9981 -2.9981 -2.9981 -2.9981 -2.2609 -2.2609 -2.2609 -2.2609 -2.2043 -2.2043 -2.2043 -2.2043 0.9611 0.9611 0.9611 0.9611 2.7048 2.7048 k = 0.5000 0.0357 0.1101 ( 13580 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9981 -2.9981 -2.9981 -2.9981 -2.2608 -2.2608 -2.2608 -2.2608 -2.2043 -2.2043 -2.2043 -2.2043 0.9616 0.9616 0.9616 0.9616 2.7057 2.7057 k = 0.5000 0.0446 0.1101 ( 13568 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9981 -2.9981 -2.9981 -2.9981 -2.2606 -2.2606 -2.2606 -2.2606 -2.2042 -2.2042 -2.2042 -2.2042 0.9623 0.9623 0.9623 0.9623 2.7069 2.7069 k = 0.5000 0.0536 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2266 -4.2266 -4.2266 -4.2266 -2.9981 -2.9981 -2.9981 -2.9981 -2.2605 -2.2605 -2.2605 -2.2605 -2.2042 -2.2042 -2.2042 -2.2042 0.9630 0.9630 0.9630 0.9630 2.7082 2.7082 k = 0.5000 0.0625 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5611 -4.5611 -4.2266 -4.2266 -4.2266 -4.2266 -2.9981 -2.9981 -2.9981 -2.9981 -2.2603 -2.2603 -2.2603 -2.2603 -2.2042 -2.2042 -2.2042 -2.2042 0.9638 0.9638 0.9638 0.9638 2.7097 2.7097 k = 0.5000 0.0714 0.1101 ( 13576 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5611 -4.5611 -4.2266 -4.2266 -4.2266 -4.2266 -2.9981 -2.9981 -2.9981 -2.9981 -2.2601 -2.2601 -2.2601 -2.2601 -2.2042 -2.2042 -2.2042 -2.2042 0.9647 0.9647 0.9647 0.9647 2.7114 2.7114 k = 0.5000 0.0803 0.1101 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5611 -4.5611 -4.2266 -4.2266 -4.2266 -4.2266 -2.9981 -2.9981 -2.9981 -2.9981 -2.2598 -2.2598 -2.2598 -2.2598 -2.2042 -2.2042 -2.2042 -2.2042 0.9657 0.9657 0.9657 0.9657 2.7131 2.7131 k = 0.5000 0.0893 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5611 -4.5611 -4.2266 -4.2266 -4.2266 -4.2266 -2.9981 -2.9981 -2.9981 -2.9981 -2.2596 -2.2596 -2.2596 -2.2596 -2.2041 -2.2041 -2.2041 -2.2041 0.9667 0.9667 0.9667 0.9667 2.7150 2.7150 k = 0.5000 0.0982 0.1101 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5611 -4.5611 -4.2267 -4.2267 -4.2267 -4.2267 -2.9981 -2.9981 -2.9981 -2.9981 -2.2594 -2.2594 -2.2594 -2.2594 -2.2041 -2.2041 -2.2041 -2.2041 0.9677 0.9677 0.9677 0.9677 2.7169 2.7169 k = 0.5000 0.1071 0.1101 ( 13604 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2267 -4.2267 -4.2267 -4.2267 -2.9981 -2.9981 -2.9981 -2.9981 -2.2592 -2.2592 -2.2592 -2.2592 -2.2041 -2.2041 -2.2041 -2.2041 0.9687 0.9687 0.9687 0.9687 2.7187 2.7187 k = 0.5000 0.1161 0.1101 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2267 -4.2267 -4.2267 -4.2267 -2.9981 -2.9981 -2.9981 -2.9981 -2.2589 -2.2589 -2.2589 -2.2589 -2.2040 -2.2040 -2.2040 -2.2040 0.9697 0.9697 0.9697 0.9697 2.7206 2.7206 k = 0.5000 0.1250 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2267 -4.2267 -4.2267 -4.2267 -2.9980 -2.9980 -2.9980 -2.9980 -2.2587 -2.2587 -2.2587 -2.2587 -2.2040 -2.2040 -2.2040 -2.2040 0.9706 0.9706 0.9706 0.9706 2.7223 2.7223 k = 0.5000 0.1339 0.1101 ( 13576 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2267 -4.2267 -4.2267 -4.2267 -2.9980 -2.9980 -2.9980 -2.9980 -2.2585 -2.2585 -2.2585 -2.2585 -2.2040 -2.2040 -2.2040 -2.2040 0.9714 0.9714 0.9714 0.9714 2.7239 2.7239 k = 0.5000 0.1428 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2584 -2.2584 -2.2584 -2.2584 -2.2039 -2.2039 -2.2039 -2.2039 0.9721 0.9721 0.9721 0.9721 2.7253 2.7253 k = 0.5000 0.1518 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2582 -2.2582 -2.2582 -2.2582 -2.2039 -2.2039 -2.2039 -2.2039 0.9728 0.9728 0.9728 0.9728 2.7266 2.7266 k = 0.5000 0.1607 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2581 -2.2581 -2.2581 -2.2581 -2.2039 -2.2039 -2.2039 -2.2039 0.9733 0.9733 0.9733 0.9733 2.7275 2.7275 k = 0.5000 0.1696 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2580 -2.2580 -2.2580 -2.2580 -2.2039 -2.2039 -2.2039 -2.2039 0.9736 0.9736 0.9736 0.9736 2.7283 2.7283 k = 0.5000 0.1785 0.1101 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2580 -2.2580 -2.2580 -2.2580 -2.2039 -2.2039 -2.2039 -2.2039 0.9739 0.9739 0.9739 0.9739 2.7287 2.7287 k = 0.5000 0.1875 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2580 -2.2580 -2.2580 -2.2580 -2.2039 -2.2039 -2.2039 -2.2039 0.9739 0.9739 0.9739 0.9739 2.7288 2.7288 k = 0.5000 0.1875 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2580 -2.2580 -2.2580 -2.2580 -2.2039 -2.2039 -2.2039 -2.2039 0.9739 0.9739 0.9739 0.9739 2.7288 2.7288 k = 0.4911 0.1875 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6299 -46.6299 -46.6299 -46.6299 -46.3595 -46.3595 -46.3595 -46.3595 -4.5601 -4.5601 -4.5601 -4.5601 -4.2257 -4.2257 -4.2257 -4.2257 -2.9981 -2.9981 -2.9981 -2.9981 -2.2589 -2.2589 -2.2589 -2.2589 -2.2043 -2.2043 -2.2043 -2.2043 0.9426 0.9426 0.9426 0.9426 2.7611 2.7612 k = 0.4821 0.1875 0.1101 ( 13596 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9855 -59.9855 -59.9855 -59.9855 -46.6294 -46.6294 -46.6294 -46.6294 -46.3596 -46.3596 -46.3596 -46.3596 -4.5568 -4.5568 -4.5568 -4.5568 -4.2226 -4.2226 -4.2226 -4.2226 -2.9984 -2.9984 -2.9984 -2.9984 -2.2618 -2.2618 -2.2618 -2.2618 -2.2056 -2.2056 -2.2056 -2.2056 0.8549 0.8549 0.8549 0.8549 2.8517 2.8518 k = 0.4732 0.1875 0.1101 ( 13600 PWs) bands (ev): -93.0996 -93.0996 -93.0996 -93.0996 -59.9853 -59.9853 -59.9853 -59.9853 -46.6286 -46.6286 -46.6286 -46.6286 -46.3597 -46.3597 -46.3597 -46.3597 -4.5513 -4.5513 -4.5513 -4.5513 -4.2174 -4.2174 -4.2174 -4.2174 -2.9988 -2.9988 -2.9988 -2.9988 -2.2666 -2.2666 -2.2666 -2.2666 -2.2078 -2.2078 -2.2078 -2.2078 0.7244 0.7244 0.7244 0.7244 2.9868 2.9869 k = 0.4643 0.1875 0.1101 ( 13600 PWs) bands (ev): -93.0997 -93.0997 -93.0997 -93.0997 -59.9851 -59.9851 -59.9851 -59.9851 -46.6275 -46.6275 -46.6275 -46.6275 -46.3599 -46.3599 -46.3599 -46.3599 -4.5435 -4.5435 -4.5435 -4.5435 -4.2101 -4.2101 -4.2101 -4.2101 -2.9994 -2.9994 -2.9994 -2.9994 -2.2733 -2.2733 -2.2733 -2.2733 -2.2108 -2.2108 -2.2108 -2.2108 0.5650 0.5650 0.5651 0.5651 3.1522 3.1525 k = 0.4554 0.1875 0.1101 ( 13600 PWs) bands (ev): -93.0997 -93.0997 -93.0997 -93.0997 -59.9849 -59.9849 -59.9849 -59.9849 -46.6261 -46.6261 -46.6261 -46.6261 -46.3601 -46.3601 -46.3601 -46.3601 -4.5336 -4.5336 -4.5336 -4.5336 -4.2008 -4.2008 -4.2008 -4.2008 -3.0001 -3.0001 -3.0001 -3.0001 -2.2818 -2.2818 -2.2818 -2.2818 -2.2147 -2.2147 -2.2147 -2.2147 0.3870 0.3870 0.3870 0.3870 3.3369 3.3369 k = 0.4464 0.1875 0.1101 ( 13600 PWs) bands (ev): -93.0998 -93.0998 -93.0998 -93.0998 -59.9846 -59.9846 -59.9846 -59.9846 -46.6244 -46.6244 -46.6244 -46.6244 -46.3604 -46.3604 -46.3604 -46.3604 -4.5216 -4.5216 -4.5216 -4.5216 -4.1895 -4.1895 -4.1895 -4.1895 -3.0009 -3.0009 -3.0009 -3.0009 -2.2921 -2.2921 -2.2921 -2.2921 -2.2193 -2.2193 -2.2193 -2.2193 0.1972 0.1972 0.1973 0.1973 3.5324 3.5324 k = 0.4375 0.1875 0.1101 ( 13604 PWs) bands (ev): -93.1000 -93.1000 -93.1000 -93.1000 -59.9842 -59.9842 -59.9842 -59.9842 -46.6224 -46.6224 -46.6224 -46.6224 -46.3607 -46.3607 -46.3607 -46.3607 -4.5074 -4.5074 -4.5074 -4.5074 -4.1763 -4.1763 -4.1763 -4.1763 -3.0017 -3.0017 -3.0017 -3.0017 -2.3042 -2.3042 -2.3042 -2.3042 -2.2248 -2.2248 -2.2248 -2.2248 0.0002 0.0002 0.0002 0.0002 3.7303 3.7322 k = 0.4286 0.1875 0.1101 ( 13600 PWs) bands (ev): -93.1001 -93.1001 -93.1001 -93.1001 -59.9837 -59.9837 -59.9837 -59.9837 -46.6201 -46.6201 -46.6201 -46.6201 -46.3610 -46.3610 -46.3610 -46.3610 -4.4912 -4.4912 -4.4912 -4.4912 -4.1612 -4.1612 -4.1612 -4.1612 -3.0024 -3.0024 -3.0024 -3.0024 -2.3180 -2.3180 -2.3180 -2.3180 -2.2311 -2.2311 -2.2311 -2.2311 -0.2011 -0.2011 -0.2011 -0.2011 3.9149 3.9149 k = 0.4196 0.1875 0.1101 ( 13616 PWs) bands (ev): -93.1003 -93.1003 -93.1003 -93.1003 -59.9833 -59.9833 -59.9833 -59.9833 -46.6175 -46.6175 -46.6175 -46.6175 -46.3614 -46.3614 -46.3614 -46.3614 -4.4729 -4.4729 -4.4729 -4.4729 -4.1444 -4.1444 -4.1444 -4.1444 -3.0030 -3.0030 -3.0030 -3.0030 -2.3334 -2.3334 -2.3334 -2.3334 -2.2381 -2.2381 -2.2381 -2.2381 -0.4047 -0.4047 -0.4047 -0.4047 4.0407 4.0407 k = 0.4107 0.1875 0.1101 ( 13608 PWs) bands (ev): -93.1004 -93.1004 -93.1004 -93.1004 -59.9827 -59.9827 -59.9827 -59.9827 -46.6146 -46.6146 -46.6146 -46.6146 -46.3619 -46.3619 -46.3619 -46.3619 -4.4527 -4.4527 -4.4527 -4.4527 -4.1259 -4.1259 -4.1259 -4.1259 -3.0034 -3.0034 -3.0034 -3.0034 -2.3504 -2.3504 -2.3504 -2.3504 -2.2459 -2.2459 -2.2459 -2.2459 -0.6092 -0.6092 -0.6092 -0.6092 4.0447 4.0447 k = 0.4018 0.1875 0.1101 ( 13612 PWs) bands (ev): -93.1006 -93.1006 -93.1006 -93.1006 -59.9821 -59.9821 -59.9821 -59.9821 -46.6115 -46.6115 -46.6115 -46.6115 -46.3623 -46.3623 -46.3623 -46.3623 -4.4306 -4.4306 -4.4306 -4.4306 -4.1059 -4.1059 -4.1059 -4.1059 -3.0034 -3.0034 -3.0034 -3.0034 -2.3688 -2.3688 -2.3688 -2.3688 -2.2544 -2.2544 -2.2544 -2.2544 -0.8134 -0.8134 -0.8134 -0.8134 3.9715 3.9715 k = 0.3929 0.1875 0.1101 ( 13608 PWs) bands (ev): -93.1008 -93.1008 -93.1008 -93.1008 -59.9815 -59.9815 -59.9815 -59.9815 -46.6081 -46.6081 -46.6081 -46.6081 -46.3629 -46.3629 -46.3629 -46.3629 -4.4067 -4.4067 -4.4067 -4.4067 -4.0844 -4.0844 -4.0844 -4.0844 -3.0030 -3.0030 -3.0030 -3.0030 -2.3888 -2.3888 -2.3888 -2.3888 -2.2636 -2.2636 -2.2636 -2.2636 -1.0166 -1.0166 -1.0166 -1.0166 3.8736 3.8736 k = 0.3839 0.1875 0.1101 ( 13620 PWs) bands (ev): -93.1010 -93.1010 -93.1010 -93.1010 -59.9808 -59.9808 -59.9808 -59.9808 -46.6045 -46.6045 -46.6045 -46.6045 -46.3634 -46.3634 -46.3634 -46.3634 -4.3812 -4.3812 -4.3812 -4.3812 -4.0616 -4.0616 -4.0616 -4.0616 -3.0020 -3.0020 -3.0020 -3.0020 -2.4101 -2.4101 -2.4101 -2.4101 -2.2734 -2.2734 -2.2734 -2.2734 -1.2180 -1.2180 -1.2179 -1.2179 3.7670 3.7670 k = 0.3750 0.1875 0.1101 ( 13632 PWs) bands (ev): -93.1012 -93.1012 -93.1012 -93.1012 -59.9801 -59.9801 -59.9801 -59.9801 -46.6006 -46.6006 -46.6006 -46.6006 -46.3640 -46.3640 -46.3640 -46.3640 -4.3541 -4.3541 -4.3541 -4.3541 -4.0378 -4.0378 -4.0378 -4.0378 -3.0002 -3.0002 -3.0002 -3.0002 -2.4330 -2.4330 -2.4330 -2.4330 -2.2838 -2.2838 -2.2838 -2.2838 -1.4169 -1.4169 -1.4168 -1.4168 3.6569 3.6569 k = 0.3661 0.1875 0.1101 ( 13632 PWs) bands (ev): -93.1015 -93.1015 -93.1015 -93.1015 -59.9794 -59.9794 -59.9794 -59.9794 -46.5965 -46.5965 -46.5965 -46.5965 -46.3647 -46.3647 -46.3647 -46.3647 -4.3257 -4.3257 -4.3257 -4.3257 -4.0130 -4.0130 -4.0130 -4.0130 -2.9975 -2.9975 -2.9975 -2.9975 -2.4573 -2.4573 -2.4573 -2.4573 -2.2948 -2.2948 -2.2948 -2.2948 -1.6126 -1.6126 -1.6125 -1.6125 3.5454 3.5454 k = 0.3571 0.1875 0.1101 ( 13632 PWs) bands (ev): -93.1017 -93.1017 -93.1017 -93.1017 -59.9785 -59.9785 -59.9785 -59.9785 -46.5921 -46.5921 -46.5921 -46.5921 -46.3653 -46.3653 -46.3653 -46.3653 -4.2960 -4.2960 -4.2960 -4.2960 -3.9876 -3.9876 -3.9876 -3.9876 -2.9936 -2.9936 -2.9936 -2.9936 -2.4837 -2.4837 -2.4836 -2.4836 -2.3063 -2.3063 -2.3063 -2.3063 -1.8041 -1.8041 -1.8041 -1.8041 3.4335 3.4335 k = 0.3482 0.1875 0.1101 ( 13632 PWs) bands (ev): -93.1020 -93.1020 -93.1020 -93.1020 -59.9777 -59.9777 -59.9777 -59.9777 -46.5876 -46.5876 -46.5876 -46.5876 -46.3660 -46.3660 -46.3660 -46.3660 -4.2655 -4.2655 -4.2655 -4.2655 -3.9617 -3.9617 -3.9617 -3.9617 -2.9883 -2.9883 -2.9883 -2.9883 -2.5128 -2.5128 -2.5128 -2.5128 -2.3184 -2.3184 -2.3184 -2.3184 -1.9899 -1.9899 -1.9899 -1.9899 3.3219 3.3219 k = 0.3393 0.1875 0.1101 ( 13632 PWs) bands (ev): -93.1022 -93.1022 -93.1022 -93.1022 -59.9768 -59.9768 -59.9768 -59.9768 -46.5829 -46.5829 -46.5829 -46.5829 -46.3667 -46.3667 -46.3667 -46.3667 -4.2344 -4.2344 -4.2344 -4.2344 -3.9357 -3.9357 -3.9357 -3.9357 -2.9814 -2.9814 -2.9814 -2.9814 -2.5473 -2.5473 -2.5473 -2.5473 -2.3309 -2.3309 -2.3309 -2.3309 -2.1670 -2.1670 -2.1669 -2.1669 3.2110 3.2110 k = 0.3304 0.1875 0.1101 ( 13652 PWs) bands (ev): -93.1025 -93.1025 -93.1025 -93.1025 -59.9759 -59.9759 -59.9759 -59.9759 -46.5780 -46.5780 -46.5780 -46.5780 -46.3675 -46.3675 -46.3675 -46.3675 -4.2033 -4.2033 -4.2033 -4.2033 -3.9098 -3.9098 -3.9098 -3.9098 -2.9726 -2.9726 -2.9726 -2.9726 -2.5945 -2.5945 -2.5944 -2.5944 -2.3448 -2.3448 -2.3446 -2.3446 -2.3263 -2.3263 -2.3262 -2.3262 3.1011 3.1011 k = 0.3214 0.1875 0.1101 ( 13656 PWs) bands (ev): -93.1028 -93.1028 -93.1028 -93.1028 -59.9750 -59.9750 -59.9750 -59.9750 -46.5730 -46.5730 -46.5730 -46.5730 -46.3683 -46.3683 -46.3683 -46.3683 -4.1727 -4.1727 -4.1726 -4.1726 -3.8843 -3.8843 -3.8843 -3.8843 -2.9617 -2.9617 -2.9616 -2.9616 -2.6730 -2.6730 -2.6729 -2.6729 -2.4512 -2.4512 -2.4512 -2.4512 -2.3567 -2.3567 -2.3567 -2.3567 2.9923 2.9923 k = 0.3125 0.1875 0.1101 ( 13668 PWs) bands (ev): -93.1031 -93.1031 -93.1031 -93.1031 -59.9741 -59.9741 -59.9741 -59.9741 -46.5678 -46.5678 -46.5678 -46.5678 -46.3691 -46.3691 -46.3691 -46.3691 -4.1435 -4.1435 -4.1435 -4.1435 -3.8596 -3.8596 -3.8596 -3.8596 -2.9482 -2.9482 -2.9481 -2.9481 -2.7952 -2.7952 -2.7951 -2.7951 -2.5249 -2.5249 -2.5248 -2.5248 -2.3704 -2.3704 -2.3703 -2.3703 2.8849 2.8849 k = 0.3036 0.1875 0.1101 ( 13660 PWs) bands (ev): -93.1034 -93.1034 -93.1034 -93.1034 -59.9731 -59.9731 -59.9731 -59.9731 -46.5624 -46.5624 -46.5624 -46.5624 -46.3699 -46.3699 -46.3699 -46.3699 -4.1174 -4.1174 -4.1173 -4.1173 -3.8360 -3.8360 -3.8359 -3.8359 -2.9404 -2.9404 -2.9392 -2.9392 -2.9317 -2.9317 -2.9306 -2.9306 -2.5690 -2.5690 -2.5689 -2.5689 -2.3842 -2.3842 -2.3842 -2.3842 2.7789 2.7789 k = 0.2946 0.1875 0.1101 ( 13656 PWs) bands (ev): -93.1037 -93.1037 -93.1037 -93.1037 -59.9721 -59.9721 -59.9721 -59.9721 -46.5570 -46.5570 -46.5570 -46.5570 -46.3707 -46.3707 -46.3707 -46.3707 -4.0963 -4.0963 -4.0963 -4.0963 -3.8137 -3.8137 -3.8136 -3.8136 -3.0844 -3.0844 -3.0844 -3.0844 -2.9126 -2.9126 -2.9125 -2.9125 -2.6014 -2.6014 -2.6014 -2.6014 -2.3983 -2.3983 -2.3982 -2.3982 2.6744 2.6782 k = 0.2857 0.1875 0.1101 ( 13672 PWs) bands (ev): -93.1041 -93.1041 -93.1041 -93.1041 -59.9710 -59.9710 -59.9710 -59.9710 -46.5515 -46.5515 -46.5515 -46.5515 -46.3716 -46.3716 -46.3716 -46.3716 -4.0840 -4.0840 -4.0839 -4.0839 -3.7930 -3.7930 -3.7930 -3.7930 -3.2209 -3.2209 -3.2209 -3.2209 -2.8901 -2.8901 -2.8901 -2.8901 -2.6285 -2.6285 -2.6285 -2.6285 -2.4125 -2.4125 -2.4125 -2.4125 2.5715 2.5715 k = 0.2768 0.1875 0.1101 ( 13676 PWs) bands (ev): -93.1044 -93.1044 -93.1044 -93.1044 -59.9700 -59.9700 -59.9700 -59.9700 -46.5458 -46.5458 -46.5458 -46.5458 -46.3724 -46.3724 -46.3724 -46.3724 -4.0858 -4.0858 -4.0857 -4.0857 -3.7742 -3.7742 -3.7742 -3.7742 -3.3411 -3.3411 -3.3411 -3.3411 -2.8643 -2.8643 -2.8642 -2.8642 -2.6523 -2.6523 -2.6522 -2.6522 -2.4269 -2.4269 -2.4268 -2.4268 2.4702 2.4702 k = 0.2679 0.1875 0.1101 ( 13688 PWs) bands (ev): -93.1047 -93.1047 -93.1047 -93.1047 -59.9690 -59.9690 -59.9690 -59.9690 -46.5402 -46.5402 -46.5402 -46.5402 -46.3733 -46.3733 -46.3733 -46.3733 -4.1090 -4.1090 -4.1089 -4.1089 -3.7574 -3.7574 -3.7573 -3.7573 -3.4371 -3.4371 -3.4371 -3.4371 -2.8349 -2.8349 -2.8347 -2.8347 -2.6732 -2.6732 -2.6731 -2.6731 -2.4413 -2.4413 -2.4413 -2.4413 2.3706 2.3706 k = 0.2589 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1050 -93.1050 -93.1050 -93.1050 -59.9680 -59.9680 -59.9680 -59.9680 -46.5344 -46.5344 -46.5344 -46.5344 -46.3741 -46.3741 -46.3741 -46.3741 -4.1595 -4.1595 -4.1595 -4.1595 -3.7427 -3.7427 -3.7426 -3.7426 -3.5026 -3.5026 -3.5026 -3.5026 -2.8020 -2.8020 -2.8018 -2.8018 -2.6915 -2.6915 -2.6913 -2.6913 -2.4558 -2.4558 -2.4558 -2.4558 2.2727 2.2727 k = 0.2500 0.1875 0.1101 ( 13672 PWs) bands (ev): -93.1053 -93.1053 -93.1053 -93.1053 -59.9669 -59.9669 -59.9669 -59.9669 -46.5287 -46.5287 -46.5287 -46.5287 -46.3750 -46.3750 -46.3750 -46.3750 -4.2375 -4.2375 -4.2374 -4.2374 -3.7301 -3.7301 -3.7300 -3.7300 -3.5377 -3.5377 -3.5377 -3.5377 -2.7657 -2.7657 -2.7654 -2.7654 -2.7068 -2.7068 -2.7065 -2.7065 -2.4703 -2.4703 -2.4702 -2.4702 2.1765 2.1765 k = 0.2411 0.1875 0.1101 ( 13672 PWs) bands (ev): -93.1057 -93.1057 -93.1057 -93.1057 -59.9658 -59.9658 -59.9658 -59.9658 -46.5229 -46.5229 -46.5229 -46.5229 -46.3759 -46.3759 -46.3759 -46.3759 -4.3362 -4.3362 -4.3362 -4.3362 -3.7195 -3.7195 -3.7195 -3.7195 -3.5493 -3.5493 -3.5493 -3.5493 -2.7278 -2.7278 -2.7260 -2.7260 -2.7183 -2.7183 -2.7166 -2.7166 -2.4847 -2.4847 -2.4846 -2.4846 2.0822 2.0839 k = 0.2321 0.1875 0.1101 ( 13644 PWs) bands (ev): -93.1060 -93.1060 -93.1060 -93.1060 -59.9647 -59.9647 -59.9647 -59.9647 -46.5172 -46.5172 -46.5172 -46.5172 -46.3767 -46.3767 -46.3767 -46.3767 -4.4475 -4.4475 -4.4474 -4.4474 -3.7110 -3.7110 -3.7109 -3.7109 -3.5460 -3.5460 -3.5460 -3.5460 -2.7276 -2.7276 -2.7272 -2.7272 -2.6823 -2.6823 -2.6821 -2.6821 -2.4990 -2.4990 -2.4989 -2.4989 1.9894 1.9909 k = 0.2232 0.1875 0.1101 ( 13660 PWs) bands (ev): -93.1063 -93.1063 -93.1063 -93.1063 -59.9637 -59.9637 -59.9637 -59.9637 -46.5115 -46.5115 -46.5115 -46.5115 -46.3776 -46.3776 -46.3776 -46.3776 -4.5650 -4.5650 -4.5650 -4.5650 -3.7043 -3.7043 -3.7042 -3.7042 -3.5346 -3.5346 -3.5346 -3.5346 -2.7314 -2.7314 -2.7312 -2.7312 -2.6363 -2.6363 -2.6363 -2.6363 -2.5132 -2.5132 -2.5131 -2.5131 1.8984 1.8984 k = 0.2143 0.1875 0.1101 ( 13656 PWs) bands (ev): -93.1066 -93.1066 -93.1066 -93.1066 -59.9627 -59.9627 -59.9627 -59.9627 -46.5058 -46.5058 -46.5058 -46.5058 -46.3784 -46.3784 -46.3784 -46.3784 -4.6846 -4.6846 -4.6846 -4.6846 -3.6993 -3.6993 -3.6992 -3.6992 -3.5196 -3.5196 -3.5196 -3.5196 -2.7305 -2.7305 -2.7304 -2.7304 -2.5877 -2.5877 -2.5876 -2.5876 -2.5272 -2.5272 -2.5270 -2.5270 1.8094 1.8096 k = 0.2054 0.1875 0.1101 ( 13648 PWs) bands (ev): -93.1069 -93.1069 -93.1069 -93.1069 -59.9617 -59.9617 -59.9617 -59.9617 -46.5002 -46.5002 -46.5002 -46.5002 -46.3793 -46.3793 -46.3793 -46.3793 -4.8039 -4.8039 -4.8039 -4.8039 -3.6958 -3.6958 -3.6957 -3.6957 -3.5041 -3.5041 -3.5040 -3.5040 -2.7245 -2.7245 -2.7244 -2.7244 -2.5425 -2.5425 -2.5411 -2.5411 -2.5362 -2.5362 -2.5348 -2.5348 1.7222 1.7227 k = 0.1964 0.1875 0.1101 ( 13652 PWs) bands (ev): -93.1072 -93.1072 -93.1072 -93.1072 -59.9607 -59.9607 -59.9607 -59.9607 -46.4947 -46.4947 -46.4947 -46.4947 -46.3801 -46.3801 -46.3801 -46.3801 -4.9212 -4.9212 -4.9212 -4.9212 -3.6936 -3.6936 -3.6936 -3.6936 -3.4897 -3.4897 -3.4897 -3.4897 -2.7129 -2.7129 -2.7129 -2.7129 -2.5545 -2.5545 -2.5545 -2.5545 -2.4831 -2.4831 -2.4830 -2.4830 1.6365 1.6367 k = 0.1875 0.1875 0.1101 ( 13636 PWs) bands (ev): -93.1075 -93.1075 -93.1075 -93.1075 -59.9597 -59.9597 -59.9597 -59.9597 -46.4892 -46.4892 -46.4892 -46.4892 -46.3809 -46.3809 -46.3809 -46.3809 -5.0356 -5.0356 -5.0356 -5.0356 -3.6926 -3.6926 -3.6926 -3.6926 -3.4777 -3.4777 -3.4777 -3.4777 -2.6957 -2.6957 -2.6957 -2.6957 -2.5677 -2.5677 -2.5676 -2.5676 -2.4279 -2.4279 -2.4279 -2.4279 1.5530 1.5533 k = 0.1786 0.1875 0.1101 ( 13628 PWs) bands (ev): -93.1078 -93.1078 -93.1078 -93.1078 -59.9587 -59.9587 -59.9587 -59.9587 -46.4839 -46.4839 -46.4839 -46.4839 -46.3817 -46.3817 -46.3817 -46.3817 -5.1463 -5.1463 -5.1463 -5.1463 -3.6926 -3.6926 -3.6926 -3.6926 -3.4686 -3.4686 -3.4686 -3.4686 -2.6730 -2.6730 -2.6729 -2.6729 -2.5805 -2.5805 -2.5803 -2.5803 -2.3713 -2.3713 -2.3713 -2.3713 1.4711 1.4714 k = 0.1696 0.1875 0.1101 ( 13644 PWs) bands (ev): -93.1081 -93.1081 -93.1081 -93.1081 -59.9578 -59.9578 -59.9578 -59.9578 -46.4788 -46.4788 -46.4788 -46.4788 -46.3825 -46.3825 -46.3825 -46.3825 -5.2531 -5.2531 -5.2530 -5.2530 -3.6935 -3.6935 -3.6934 -3.6934 -3.4627 -3.4627 -3.4626 -3.4626 -2.6453 -2.6453 -2.6450 -2.6450 -2.5929 -2.5929 -2.5926 -2.5926 -2.3135 -2.3135 -2.3135 -2.3135 1.3912 1.3914 k = 0.1607 0.1875 0.1101 ( 13648 PWs) bands (ev): -93.1084 -93.1084 -93.1084 -93.1084 -59.9569 -59.9569 -59.9569 -59.9569 -46.4738 -46.4738 -46.4738 -46.4738 -46.3832 -46.3832 -46.3832 -46.3832 -5.3553 -5.3553 -5.3553 -5.3553 -3.6950 -3.6950 -3.6949 -3.6949 -3.4597 -3.4597 -3.4597 -3.4597 -2.6151 -2.6151 -2.6133 -2.6133 -2.6041 -2.6041 -2.6023 -2.6023 -2.2549 -2.2549 -2.2549 -2.2549 1.3134 1.3134 k = 0.1518 0.1875 0.1101 ( 13660 PWs) bands (ev): -93.1087 -93.1087 -93.1087 -93.1087 -59.9560 -59.9560 -59.9560 -59.9560 -46.4689 -46.4689 -46.4689 -46.4689 -46.3839 -46.3839 -46.3839 -46.3839 -5.4529 -5.4529 -5.4529 -5.4529 -3.6970 -3.6970 -3.6969 -3.6969 -3.4595 -3.4595 -3.4594 -3.4594 -2.6175 -2.6175 -2.6170 -2.6170 -2.5754 -2.5754 -2.5748 -2.5748 -2.1958 -2.1958 -2.1958 -2.1958 1.2377 1.2377 k = 0.1429 0.1875 0.1101 ( 13660 PWs) bands (ev): -93.1089 -93.1089 -93.1089 -93.1089 -59.9552 -59.9552 -59.9552 -59.9552 -46.4643 -46.4643 -46.4643 -46.4643 -46.3846 -46.3846 -46.3846 -46.3846 -5.5456 -5.5456 -5.5456 -5.5456 -3.6995 -3.6995 -3.6994 -3.6994 -3.4614 -3.4614 -3.4614 -3.4614 -2.6282 -2.6282 -2.6280 -2.6280 -2.5357 -2.5357 -2.5353 -2.5353 -2.1365 -2.1365 -2.1365 -2.1365 1.1640 1.1641 k = 0.1339 0.1875 0.1101 ( 13652 PWs) bands (ev): -93.1092 -93.1092 -93.1092 -93.1092 -59.9544 -59.9544 -59.9544 -59.9544 -46.4598 -46.4598 -46.4598 -46.4598 -46.3853 -46.3853 -46.3853 -46.3853 -5.6333 -5.6333 -5.6333 -5.6333 -3.7022 -3.7022 -3.7022 -3.7022 -3.4652 -3.4652 -3.4651 -3.4651 -2.6387 -2.6387 -2.6386 -2.6386 -2.4933 -2.4933 -2.4931 -2.4931 -2.0775 -2.0775 -2.0774 -2.0774 1.0928 1.0929 k = 0.1250 0.1875 0.1101 ( 13656 PWs) bands (ev): -93.1094 -93.1094 -93.1094 -93.1094 -59.9536 -59.9536 -59.9536 -59.9536 -46.4555 -46.4555 -46.4555 -46.4555 -46.3859 -46.3859 -46.3859 -46.3859 -5.7157 -5.7157 -5.7157 -5.7157 -3.7052 -3.7052 -3.7052 -3.7052 -3.4704 -3.4704 -3.4703 -3.4703 -2.6487 -2.6487 -2.6486 -2.6486 -2.4493 -2.4493 -2.4491 -2.4491 -2.0190 -2.0190 -2.0189 -2.0189 1.0240 1.0242 k = 0.1161 0.1875 0.1101 ( 13668 PWs) bands (ev): -93.1097 -93.1097 -93.1097 -93.1097 -59.9529 -59.9529 -59.9529 -59.9529 -46.4515 -46.4515 -46.4515 -46.4515 -46.3865 -46.3865 -46.3865 -46.3865 -5.7929 -5.7929 -5.7929 -5.7929 -3.7083 -3.7083 -3.7083 -3.7083 -3.4765 -3.4765 -3.4765 -3.4765 -2.6582 -2.6582 -2.6581 -2.6581 -2.4043 -2.4043 -2.4040 -2.4040 -1.9615 -1.9615 -1.9615 -1.9615 0.9578 0.9582 k = 0.1071 0.1875 0.1101 ( 13672 PWs) bands (ev): -93.1099 -93.1099 -93.1099 -93.1099 -59.9523 -59.9523 -59.9523 -59.9523 -46.4478 -46.4478 -46.4477 -46.4477 -46.3871 -46.3871 -46.3871 -46.3871 -5.8646 -5.8646 -5.8646 -5.8646 -3.7115 -3.7115 -3.7114 -3.7114 -3.4833 -3.4833 -3.4832 -3.4832 -2.6671 -2.6671 -2.6670 -2.6670 -2.3589 -2.3589 -2.3587 -2.3587 -1.9054 -1.9054 -1.9053 -1.9053 0.8948 0.8949 k = 0.0982 0.1875 0.1101 ( 13692 PWs) bands (ev): -93.1101 -93.1101 -93.1101 -93.1101 -59.9517 -59.9517 -59.9517 -59.9517 -46.4442 -46.4442 -46.4442 -46.4442 -46.3876 -46.3876 -46.3876 -46.3876 -5.9309 -5.9309 -5.9309 -5.9309 -3.7146 -3.7146 -3.7146 -3.7146 -3.4904 -3.4904 -3.4903 -3.4903 -2.6754 -2.6754 -2.6753 -2.6753 -2.3139 -2.3139 -2.3138 -2.3138 -1.8511 -1.8511 -1.8510 -1.8510 0.8343 0.8343 k = 0.0893 0.1875 0.1101 ( 13700 PWs) bands (ev): -93.1103 -93.1103 -93.1103 -93.1103 -59.9511 -59.9511 -59.9511 -59.9511 -46.4410 -46.4410 -46.4410 -46.4410 -46.3881 -46.3881 -46.3881 -46.3881 -5.9916 -5.9916 -5.9916 -5.9916 -3.7177 -3.7177 -3.7176 -3.7176 -3.4975 -3.4975 -3.4975 -3.4975 -2.6830 -2.6830 -2.6829 -2.6829 -2.2700 -2.2700 -2.2698 -2.2698 -1.7990 -1.7990 -1.7990 -1.7990 0.7776 0.7776 k = 0.0804 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1104 -93.1104 -93.1104 -93.1104 -59.9505 -59.9505 -59.9505 -59.9505 -46.4380 -46.4380 -46.4380 -46.4380 -46.3885 -46.3885 -46.3885 -46.3885 -6.0467 -6.0467 -6.0467 -6.0467 -3.7206 -3.7206 -3.7205 -3.7205 -3.5045 -3.5045 -3.5045 -3.5045 -2.6899 -2.6899 -2.6899 -2.6899 -2.2277 -2.2277 -2.2276 -2.2276 -1.7497 -1.7497 -1.7496 -1.7496 0.7245 0.7245 k = 0.0714 0.1875 0.1101 ( 13688 PWs) bands (ev): -93.1106 -93.1106 -93.1106 -93.1106 -59.9501 -59.9501 -59.9501 -59.9501 -46.4353 -46.4353 -46.4353 -46.4353 -46.3889 -46.3889 -46.3889 -46.3889 -6.0962 -6.0962 -6.0962 -6.0962 -3.7233 -3.7233 -3.7233 -3.7233 -3.5112 -3.5112 -3.5111 -3.5111 -2.6962 -2.6962 -2.6962 -2.6962 -2.1877 -2.1877 -2.1876 -2.1876 -1.7036 -1.7036 -1.7035 -1.7035 0.6754 0.6754 k = 0.0625 0.1875 0.1101 ( 13684 PWs) bands (ev): -93.1107 -93.1107 -93.1107 -93.1107 -59.9496 -59.9496 -59.9496 -59.9496 -46.4329 -46.4329 -46.4329 -46.4329 -46.3893 -46.3893 -46.3893 -46.3893 -6.1399 -6.1399 -6.1399 -6.1399 -3.7258 -3.7258 -3.7257 -3.7257 -3.5173 -3.5173 -3.5173 -3.5173 -2.7018 -2.7018 -2.7017 -2.7017 -2.1506 -2.1506 -2.1505 -2.1505 -1.6612 -1.6612 -1.6612 -1.6612 0.6308 0.6308 k = 0.0536 0.1875 0.1101 ( 13680 PWs) bands (ev): -93.1108 -93.1108 -93.1108 -93.1108 -59.9492 -59.9492 -59.9492 -59.9492 -46.4308 -46.4308 -46.4308 -46.4308 -46.3896 -46.3896 -46.3896 -46.3896 -6.1779 -6.1779 -6.1779 -6.1779 -3.7280 -3.7280 -3.7280 -3.7280 -3.5229 -3.5229 -3.5229 -3.5229 -2.7066 -2.7066 -2.7066 -2.7066 -2.1170 -2.1170 -2.1169 -2.1169 -1.6232 -1.6232 -1.6231 -1.6231 0.5911 0.5911 k = 0.0446 0.1875 0.1101 ( 13680 PWs) bands (ev): -93.1109 -93.1109 -93.1109 -93.1109 -59.9489 -59.9489 -59.9489 -59.9489 -46.4290 -46.4290 -46.4290 -46.4290 -46.3899 -46.3899 -46.3899 -46.3899 -6.2100 -6.2100 -6.2100 -6.2100 -3.7299 -3.7299 -3.7299 -3.7299 -3.5277 -3.5277 -3.5277 -3.5277 -2.7108 -2.7108 -2.7108 -2.7108 -2.0874 -2.0874 -2.0873 -2.0873 -1.5899 -1.5899 -1.5898 -1.5898 0.5565 0.5565 k = 0.0357 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1110 -93.1110 -93.1110 -93.1110 -59.9487 -59.9487 -59.9487 -59.9487 -46.4275 -46.4275 -46.4275 -46.4275 -46.3901 -46.3901 -46.3901 -46.3901 -6.2364 -6.2364 -6.2364 -6.2364 -3.7315 -3.7315 -3.7315 -3.7315 -3.5318 -3.5318 -3.5318 -3.5318 -2.7142 -2.7142 -2.7142 -2.7142 -2.0624 -2.0624 -2.0623 -2.0623 -1.5618 -1.5618 -1.5618 -1.5618 0.5276 0.5276 k = 0.0268 0.1875 0.1101 ( 13692 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9485 -59.9485 -59.9485 -59.9485 -46.4264 -46.4264 -46.4264 -46.4264 -46.3903 -46.3903 -46.3903 -46.3903 -6.2569 -6.2569 -6.2569 -6.2569 -3.7328 -3.7328 -3.7328 -3.7328 -3.5350 -3.5350 -3.5350 -3.5350 -2.7168 -2.7168 -2.7168 -2.7168 -2.0424 -2.0424 -2.0423 -2.0423 -1.5395 -1.5395 -1.5395 -1.5395 0.5047 0.5047 k = 0.0179 0.1875 0.1101 ( 13688 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9483 -59.9483 -46.4256 -46.4256 -46.4256 -46.4256 -46.3904 -46.3904 -46.3904 -46.3904 -6.2716 -6.2716 -6.2716 -6.2716 -3.7337 -3.7337 -3.7337 -3.7337 -3.5374 -3.5374 -3.5374 -3.5374 -2.7187 -2.7187 -2.7187 -2.7187 -2.0278 -2.0278 -2.0278 -2.0278 -1.5232 -1.5232 -1.5232 -1.5232 0.4880 0.4882 k = 0.0089 0.1875 0.1101 ( 13704 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9483 -59.9483 -46.4251 -46.4251 -46.4251 -46.4251 -46.3904 -46.3904 -46.3904 -46.3904 -6.2804 -6.2804 -6.2804 -6.2804 -3.7343 -3.7343 -3.7343 -3.7343 -3.5388 -3.5388 -3.5388 -3.5388 -2.7199 -2.7199 -2.7199 -2.7199 -2.0189 -2.0189 -2.0189 -2.0189 -1.5134 -1.5134 -1.5134 -1.5134 0.4780 0.4781 k = 0.0000 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5393 -3.5393 -3.5393 -3.5393 -2.7203 -2.7203 -2.7203 -2.7203 -2.0159 -2.0159 -2.0159 -2.0159 -1.5101 -1.5101 -1.5101 -1.5101 0.4746 0.4746 k = 0.0000 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5393 -3.5393 -3.5393 -3.5393 -2.7203 -2.7203 -2.7203 -2.7203 -2.0159 -2.0159 -2.0159 -2.0159 -1.5101 -1.5101 -1.5101 -1.5101 0.4746 0.4746 k = 0.0000 0.1785 0.1101 ( 13708 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5394 -3.5394 -3.5394 -3.5394 -2.7203 -2.7203 -2.7203 -2.7203 -2.0160 -2.0160 -2.0160 -2.0160 -1.5101 -1.5101 -1.5101 -1.5101 0.4759 0.4759 k = 0.0000 0.1696 0.1101 ( 13714 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5397 -3.5397 -3.5397 -3.5397 -2.7203 -2.7203 -2.7203 -2.7203 -2.0160 -2.0160 -2.0160 -2.0160 -1.5101 -1.5101 -1.5101 -1.5101 0.4795 0.4795 k = 0.0000 0.1607 0.1101 ( 13702 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5401 -3.5401 -3.5401 -3.5401 -2.7204 -2.7204 -2.7204 -2.7204 -2.0161 -2.0161 -2.0161 -2.0161 -1.5101 -1.5101 -1.5101 -1.5101 0.4854 0.4854 k = 0.0000 0.1518 0.1101 ( 13700 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2835 -6.2835 -6.2835 -6.2835 -3.7346 -3.7346 -3.7346 -3.7346 -3.5407 -3.5407 -3.5407 -3.5407 -2.7204 -2.7204 -2.7204 -2.7204 -2.0162 -2.0162 -2.0162 -2.0162 -1.5101 -1.5101 -1.5101 -1.5101 0.4934 0.4934 k = 0.0000 0.1428 0.1101 ( 13682 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2835 -6.2835 -6.2835 -6.2835 -3.7346 -3.7346 -3.7346 -3.7346 -3.5415 -3.5415 -3.5415 -3.5415 -2.7205 -2.7205 -2.7205 -2.7205 -2.0163 -2.0163 -2.0163 -2.0163 -1.5101 -1.5101 -1.5101 -1.5101 0.5034 0.5034 k = 0.0000 0.1339 0.1101 ( 13702 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2836 -6.2836 -6.2836 -6.2836 -3.7346 -3.7346 -3.7346 -3.7346 -3.5424 -3.5424 -3.5424 -3.5424 -2.7206 -2.7206 -2.7206 -2.7206 -2.0165 -2.0165 -2.0165 -2.0165 -1.5101 -1.5101 -1.5101 -1.5101 0.5150 0.5150 k = 0.0000 0.1250 0.1101 ( 13708 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2837 -6.2837 -6.2837 -6.2837 -3.7347 -3.7347 -3.7347 -3.7347 -3.5435 -3.5435 -3.5435 -3.5435 -2.7208 -2.7208 -2.7208 -2.7208 -2.0166 -2.0166 -2.0166 -2.0166 -1.5101 -1.5101 -1.5101 -1.5101 0.5279 0.5279 k = 0.0000 0.1161 0.1101 ( 13712 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2838 -6.2838 -6.2838 -6.2838 -3.7348 -3.7348 -3.7348 -3.7348 -3.5446 -3.5446 -3.5446 -3.5446 -2.7209 -2.7209 -2.7209 -2.7209 -2.0168 -2.0168 -2.0168 -2.0168 -1.5101 -1.5101 -1.5101 -1.5101 0.5418 0.5418 k = 0.0000 0.1071 0.1101 ( 13702 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2839 -6.2839 -6.2839 -6.2839 -3.7348 -3.7348 -3.7348 -3.7348 -3.5458 -3.5458 -3.5458 -3.5458 -2.7210 -2.7210 -2.7210 -2.7210 -2.0170 -2.0170 -2.0170 -2.0170 -1.5101 -1.5101 -1.5101 -1.5101 0.5561 0.5561 k = 0.0000 0.0982 0.1101 ( 13706 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2839 -6.2839 -6.2839 -6.2839 -3.7349 -3.7349 -3.7349 -3.7349 -3.5470 -3.5470 -3.5470 -3.5470 -2.7212 -2.7212 -2.7212 -2.7212 -2.0172 -2.0172 -2.0172 -2.0172 -1.5102 -1.5102 -1.5102 -1.5102 0.5706 0.5706 k = 0.0000 0.0893 0.1101 ( 13718 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9483 -59.9483 -59.9483 -59.9483 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2840 -6.2840 -6.2840 -6.2840 -3.7350 -3.7350 -3.7350 -3.7350 -3.5483 -3.5483 -3.5483 -3.5483 -2.7213 -2.7213 -2.7213 -2.7213 -2.0174 -2.0174 -2.0174 -2.0174 -1.5102 -1.5102 -1.5102 -1.5102 0.5847 0.5847 k = 0.0000 0.0803 0.1101 ( 13706 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2841 -6.2841 -6.2841 -6.2841 -3.7350 -3.7350 -3.7350 -3.7350 -3.5495 -3.5495 -3.5495 -3.5495 -2.7215 -2.7215 -2.7215 -2.7215 -2.0176 -2.0176 -2.0176 -2.0176 -1.5102 -1.5102 -1.5102 -1.5102 0.5980 0.5980 k = 0.0000 0.0714 0.1101 ( 13694 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2842 -6.2842 -6.2842 -6.2842 -3.7351 -3.7351 -3.7351 -3.7351 -3.5506 -3.5506 -3.5506 -3.5506 -2.7216 -2.7216 -2.7216 -2.7216 -2.0177 -2.0177 -2.0177 -2.0177 -1.5102 -1.5102 -1.5102 -1.5102 0.6103 0.6103 k = 0.0000 0.0625 0.1101 ( 13700 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2843 -6.2843 -6.2843 -6.2843 -3.7352 -3.7352 -3.7352 -3.7352 -3.5517 -3.5517 -3.5517 -3.5517 -2.7217 -2.7217 -2.7217 -2.7217 -2.0179 -2.0179 -2.0179 -2.0179 -1.5102 -1.5102 -1.5102 -1.5102 0.6213 0.6213 k = 0.0000 0.0536 0.1101 ( 13696 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2844 -6.2844 -6.2844 -6.2844 -3.7352 -3.7352 -3.7352 -3.7352 -3.5528 -3.5528 -3.5528 -3.5528 -2.7218 -2.7218 -2.7218 -2.7218 -2.0181 -2.0181 -2.0181 -2.0181 -1.5102 -1.5102 -1.5102 -1.5102 0.6308 0.6308 k = 0.0000 0.0446 0.1101 ( 13694 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2844 -6.2844 -6.2844 -6.2844 -3.7353 -3.7353 -3.7353 -3.7353 -3.5536 -3.5536 -3.5536 -3.5536 -2.7219 -2.7219 -2.7219 -2.7219 -2.0182 -2.0182 -2.0182 -2.0182 -1.5102 -1.5102 -1.5102 -1.5102 0.6388 0.6388 k = 0.0000 0.0357 0.1101 ( 13688 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2845 -6.2845 -6.2845 -6.2845 -3.7353 -3.7353 -3.7353 -3.7353 -3.5544 -3.5544 -3.5544 -3.5544 -2.7220 -2.7220 -2.7220 -2.7220 -2.0183 -2.0183 -2.0183 -2.0183 -1.5102 -1.5102 -1.5102 -1.5102 0.6453 0.6453 k = 0.0000 0.0268 0.1101 ( 13700 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2845 -6.2845 -6.2845 -6.2845 -3.7354 -3.7354 -3.7354 -3.7354 -3.5550 -3.5550 -3.5550 -3.5550 -2.7221 -2.7221 -2.7221 -2.7221 -2.0184 -2.0184 -2.0184 -2.0184 -1.5102 -1.5102 -1.5102 -1.5102 0.6502 0.6502 k = 0.0000 0.0179 0.1101 ( 13708 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2846 -6.2846 -3.7354 -3.7354 -3.7354 -3.7354 -3.5555 -3.5555 -3.5555 -3.5555 -2.7221 -2.7221 -2.7221 -2.7221 -2.0185 -2.0185 -2.0185 -2.0185 -1.5103 -1.5103 -1.5103 -1.5103 0.6536 0.6536 k = 0.0000 0.0089 0.1101 ( 13712 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2846 -6.2846 -3.7354 -3.7354 -3.7354 -3.7354 -3.5557 -3.5557 -3.5557 -3.5557 -2.7222 -2.7222 -2.7222 -2.7222 -2.0185 -2.0185 -2.0185 -2.0185 -1.5103 -1.5103 -1.5103 -1.5103 0.6556 0.6556 k = 0.0000 0.0000 0.1101 ( 13710 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2846 -6.2846 -3.7355 -3.7355 -3.7355 -3.7355 -3.5558 -3.5558 -3.5558 -3.5558 -2.7222 -2.7222 -2.7222 -2.7222 -2.0185 -2.0185 -2.0185 -2.0185 -1.5102 -1.5102 -1.5102 -1.5102 0.6563 0.6563 k = 0.0000 0.1875-0.0000 ( 13658 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5547 -3.5547 -3.5236 -3.5236 -2.7219 -2.7219 -2.7188 -2.7188 -2.0179 -2.0179 -2.0138 -2.0138 -1.5102 -1.5102 -1.5099 -1.5099 0.4812 0.4812 k = 0.0000 0.1875 0.0085 ( 13648 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3904 -46.3904 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7333 -3.7333 -3.5546 -3.5546 -3.5237 -3.5237 -2.7218 -2.7218 -2.7188 -2.7188 -2.0179 -2.0179 -2.0139 -2.0139 -1.5102 -1.5102 -1.5099 -1.5099 0.4800 0.4800 k = 0.0000 0.1875 0.0169 ( 13656 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2848 -6.2848 -6.2819 -6.2819 -3.7355 -3.7355 -3.7334 -3.7334 -3.5542 -3.5542 -3.5240 -3.5240 -2.7218 -2.7218 -2.7188 -2.7188 -2.0178 -2.0178 -2.0139 -2.0139 -1.5102 -1.5102 -1.5099 -1.5099 0.4769 0.4769 k = 0.0000 0.1875 0.0254 ( 13652 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2847 -6.2847 -6.2820 -6.2820 -3.7354 -3.7354 -3.7334 -3.7334 -3.5537 -3.5537 -3.5246 -3.5246 -2.7217 -2.7217 -2.7189 -2.7189 -2.0178 -2.0178 -2.0140 -2.0140 -1.5102 -1.5102 -1.5099 -1.5099 0.4727 0.4727 k = 0.0000 0.1875 0.0339 ( 13658 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2847 -6.2847 -6.2821 -6.2821 -3.7354 -3.7354 -3.7334 -3.7334 -3.5529 -3.5529 -3.5254 -3.5254 -2.7216 -2.7216 -2.7189 -2.7189 -2.0177 -2.0177 -2.0141 -2.0141 -1.5102 -1.5102 -1.5099 -1.5099 0.4684 0.4684 k = 0.0000 0.1875 0.0424 ( 13672 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2846 -6.2846 -6.2822 -6.2822 -3.7353 -3.7353 -3.7335 -3.7335 -3.5520 -3.5520 -3.5264 -3.5264 -2.7216 -2.7216 -2.7190 -2.7190 -2.0176 -2.0176 -2.0142 -2.0142 -1.5102 -1.5102 -1.5099 -1.5099 0.4644 0.4644 k = 0.0000 0.1875 0.0508 ( 13684 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2845 -6.2845 -6.2823 -6.2823 -3.7353 -3.7353 -3.7336 -3.7336 -3.5508 -3.5508 -3.5276 -3.5276 -2.7215 -2.7215 -2.7191 -2.7191 -2.0174 -2.0174 -2.0144 -2.0144 -1.5101 -1.5101 -1.5100 -1.5100 0.4613 0.4613 k = 0.0000 0.1875 0.0593 ( 13686 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2844 -6.2844 -6.2824 -6.2824 -3.7352 -3.7352 -3.7337 -3.7337 -3.5495 -3.5495 -3.5289 -3.5289 -2.7213 -2.7213 -2.7193 -2.7193 -2.0172 -2.0172 -2.0146 -2.0146 -1.5101 -1.5101 -1.5100 -1.5100 0.4593 0.4593 k = 0.0000 0.1875 0.0678 ( 13688 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2842 -6.2842 -6.2825 -6.2825 -3.7351 -3.7351 -3.7339 -3.7339 -3.5481 -3.5481 -3.5304 -3.5304 -2.7212 -2.7212 -2.7194 -2.7194 -2.0171 -2.0171 -2.0148 -2.0148 -1.5101 -1.5101 -1.5100 -1.5100 0.4586 0.4586 k = 0.0000 0.1875 0.0762 ( 13680 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2840 -6.2840 -6.2827 -6.2827 -3.7350 -3.7350 -3.7340 -3.7340 -3.5465 -3.5465 -3.5320 -3.5320 -2.7210 -2.7210 -2.7196 -2.7196 -2.0168 -2.0168 -2.0150 -2.0150 -1.5101 -1.5101 -1.5100 -1.5100 0.4592 0.4592 k = 0.0000 0.1875 0.0847 ( 13688 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2839 -6.2839 -6.2829 -6.2829 -3.7348 -3.7348 -3.7341 -3.7341 -3.5448 -3.5448 -3.5338 -3.5338 -2.7208 -2.7208 -2.7197 -2.7197 -2.0166 -2.0166 -2.0152 -2.0152 -1.5101 -1.5101 -1.5100 -1.5100 0.4612 0.4612 k = 0.0000 0.1875 0.0932 ( 13696 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2837 -6.2837 -6.2830 -6.2830 -3.7347 -3.7347 -3.7342 -3.7342 -3.5430 -3.5430 -3.5356 -3.5356 -2.7206 -2.7206 -2.7199 -2.7199 -2.0164 -2.0164 -2.0155 -2.0155 -1.5101 -1.5101 -1.5100 -1.5100 0.4645 0.4645 k = 0.0000 0.1875 0.1017 ( 13698 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2836 -6.2836 -6.2832 -6.2832 -3.7346 -3.7346 -3.7344 -3.7344 -3.5411 -3.5411 -3.5374 -3.5374 -2.7204 -2.7204 -2.7201 -2.7201 -2.0162 -2.0162 -2.0157 -2.0157 -1.5101 -1.5101 -1.5101 -1.5101 0.4690 0.4690 k = 0.0000 0.1875 0.1101 ( 13696 PWs) bands (ev): -93.1111 -93.1111 -93.1111 -93.1111 -59.9482 -59.9482 -59.9482 -59.9482 -46.4249 -46.4249 -46.4249 -46.4249 -46.3905 -46.3905 -46.3905 -46.3905 -6.2834 -6.2834 -6.2834 -6.2834 -3.7345 -3.7345 -3.7345 -3.7345 -3.5393 -3.5393 -3.5393 -3.5393 -2.7203 -2.7203 -2.7203 -2.7203 -2.0159 -2.0159 -2.0159 -2.0159 -1.5101 -1.5101 -1.5101 -1.5101 0.4746 0.4746 k = 0.5000-0.0000 0.1101 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5610 -4.5610 -4.2265 -4.2265 -4.2265 -4.2265 -2.9982 -2.9982 -2.9982 -2.9982 -2.2610 -2.2610 -2.2610 -2.2610 -2.2043 -2.2043 -2.2043 -2.2043 0.9605 0.9605 0.9605 0.9605 2.7036 2.7036 k = 0.5000-0.0000 0.1017 ( 13590 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5610 -4.5610 -4.5609 -4.5609 -4.2266 -4.2266 -4.2264 -4.2264 -2.9982 -2.9982 -2.9981 -2.9981 -2.2616 -2.2616 -2.2604 -2.2604 -2.2044 -2.2044 -2.2042 -2.2042 0.9582 0.9582 0.9627 0.9627 2.6999 2.6999 k = 0.5000-0.0000 0.0932 ( 13586 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5608 -4.5608 -4.2266 -4.2266 -4.2264 -4.2264 -2.9982 -2.9982 -2.9981 -2.9981 -2.2622 -2.2622 -2.2598 -2.2598 -2.2045 -2.2045 -2.2041 -2.2041 0.9560 0.9560 0.9650 0.9650 2.6963 2.6963 k = 0.5000-0.0000 0.0847 ( 13602 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5611 -4.5611 -4.5608 -4.5608 -4.2267 -4.2267 -4.2263 -4.2263 -2.9982 -2.9982 -2.9981 -2.9981 -2.2628 -2.2628 -2.2593 -2.2593 -2.2046 -2.2046 -2.2041 -2.2041 0.9538 0.9538 0.9671 0.9671 2.6929 2.6929 k = 0.5000-0.0000 0.0762 ( 13598 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5608 -4.5608 -4.2267 -4.2267 -4.2263 -4.2263 -2.9983 -2.9983 -2.9980 -2.9980 -2.2634 -2.2634 -2.2587 -2.2587 -2.2047 -2.2047 -2.2040 -2.2040 0.9518 0.9518 0.9692 0.9692 2.6896 2.6896 k = 0.5000-0.0000 0.0678 ( 13590 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5607 -4.5607 -4.2268 -4.2268 -4.2262 -4.2262 -2.9983 -2.9983 -2.9980 -2.9980 -2.2639 -2.2639 -2.2582 -2.2582 -2.2047 -2.2047 -2.2039 -2.2039 0.9499 0.9499 0.9712 0.9712 2.6866 2.6866 k = 0.5000-0.0000 0.0593 ( 13594 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5613 -4.5613 -4.5607 -4.5607 -4.2268 -4.2268 -4.2262 -4.2262 -2.9983 -2.9983 -2.9980 -2.9980 -2.2644 -2.2644 -2.2577 -2.2577 -2.2048 -2.2048 -2.2038 -2.2038 0.9481 0.9481 0.9730 0.9730 2.6838 2.6838 k = 0.5000-0.0000 0.0508 ( 13590 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5613 -4.5613 -4.5606 -4.5606 -4.2269 -4.2269 -4.2261 -4.2261 -2.9983 -2.9983 -2.9980 -2.9980 -2.2648 -2.2648 -2.2573 -2.2573 -2.2048 -2.2048 -2.2038 -2.2038 0.9465 0.9465 0.9746 0.9746 2.6814 2.6814 k = 0.5000-0.0000 0.0424 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5606 -4.5606 -4.2269 -4.2269 -4.2261 -4.2261 -2.9983 -2.9983 -2.9979 -2.9979 -2.2652 -2.2652 -2.2569 -2.2569 -2.2049 -2.2049 -2.2037 -2.2037 0.9451 0.9451 0.9760 0.9760 2.6793 2.6793 k = 0.5000-0.0000 0.0339 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5606 -4.5606 -4.2269 -4.2269 -4.2261 -4.2261 -2.9984 -2.9984 -2.9979 -2.9979 -2.2655 -2.2655 -2.2566 -2.2566 -2.2050 -2.2050 -2.2036 -2.2036 0.9440 0.9440 0.9772 0.9772 2.6775 2.6775 k = 0.5000-0.0000 0.0254 ( 13580 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2657 -2.2657 -2.2563 -2.2563 -2.2050 -2.2050 -2.2036 -2.2036 0.9431 0.9431 0.9781 0.9781 2.6761 2.6761 k = 0.5000-0.0000 0.0169 ( 13576 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3594 -46.3594 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2659 -2.2659 -2.2562 -2.2562 -2.2050 -2.2050 -2.2035 -2.2035 0.9424 0.9424 0.9788 0.9788 2.6751 2.6751 k = 0.5000-0.0000 0.0085 ( 13580 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9857 -59.9857 -59.9855 -59.9855 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3594 -46.3594 -4.5614 -4.5614 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2660 -2.2660 -2.2561 -2.2561 -2.2050 -2.2050 -2.2035 -2.2035 0.9420 0.9420 0.9792 0.9792 2.6745 2.6745 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5605 -4.5605 -4.2270 -4.2270 -4.2260 -4.2260 -2.9984 -2.9984 -2.9979 -2.9979 -2.2661 -2.2661 -2.2560 -2.2560 -2.2050 -2.2050 -2.2035 -2.2035 0.9419 0.9419 0.9793 0.9793 2.6743 2.6743 k = 0.5000 0.1875-0.0000 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2619 -2.2619 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9610 0.9610 0.9870 0.9870 2.7098 2.7098 k = 0.5000 0.1875 0.0085 ( 13572 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2263 -4.2263 -2.9982 -2.9982 -2.9978 -2.9978 -2.2619 -2.2619 -2.2540 -2.2540 -2.2044 -2.2044 -2.2034 -2.2034 0.9611 0.9611 0.9869 0.9869 2.7100 2.7100 k = 0.5000 0.1875 0.0169 ( 13572 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5608 -4.5608 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2618 -2.2618 -2.2541 -2.2541 -2.2044 -2.2044 -2.2034 -2.2034 0.9614 0.9614 0.9866 0.9866 2.7104 2.7104 k = 0.5000 0.1875 0.0254 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5609 -4.5609 -4.2272 -4.2272 -4.2264 -4.2264 -2.9982 -2.9982 -2.9978 -2.9978 -2.2617 -2.2617 -2.2542 -2.2542 -2.2044 -2.2044 -2.2034 -2.2034 0.9618 0.9618 0.9861 0.9861 2.7111 2.7111 k = 0.5000 0.1875 0.0339 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5609 -4.5609 -4.2271 -4.2271 -4.2264 -4.2264 -2.9982 -2.9982 -2.9979 -2.9979 -2.2615 -2.2615 -2.2544 -2.2544 -2.2044 -2.2044 -2.2034 -2.2034 0.9625 0.9625 0.9855 0.9855 2.7120 2.7120 k = 0.5000 0.1875 0.0424 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5616 -4.5616 -4.5609 -4.5609 -4.2271 -4.2271 -4.2264 -4.2264 -2.9982 -2.9982 -2.9979 -2.9979 -2.2612 -2.2612 -2.2547 -2.2547 -2.2043 -2.2043 -2.2035 -2.2035 0.9633 0.9633 0.9847 0.9847 2.7131 2.7131 k = 0.5000 0.1875 0.0508 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5609 -4.5609 -4.2271 -4.2271 -4.2265 -4.2265 -2.9982 -2.9982 -2.9979 -2.9979 -2.2609 -2.2609 -2.2550 -2.2550 -2.2043 -2.2043 -2.2035 -2.2035 0.9642 0.9642 0.9837 0.9837 2.7145 2.7145 k = 0.5000 0.1875 0.0593 ( 13580 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5615 -4.5615 -4.5610 -4.5610 -4.2270 -4.2270 -4.2265 -4.2265 -2.9981 -2.9981 -2.9979 -2.9979 -2.2606 -2.2606 -2.2553 -2.2553 -2.2042 -2.2042 -2.2035 -2.2035 0.9653 0.9653 0.9826 0.9826 2.7162 2.7162 k = 0.5000 0.1875 0.0678 ( 13572 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5610 -4.5610 -4.2270 -4.2270 -4.2265 -4.2265 -2.9981 -2.9981 -2.9979 -2.9979 -2.2602 -2.2602 -2.2557 -2.2557 -2.2042 -2.2042 -2.2036 -2.2036 0.9666 0.9666 0.9813 0.9813 2.7179 2.7179 k = 0.5000 0.1875 0.0762 ( 13588 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5611 -4.5611 -4.2270 -4.2270 -4.2266 -4.2266 -2.9981 -2.9981 -2.9979 -2.9979 -2.2598 -2.2598 -2.2561 -2.2561 -2.2041 -2.2041 -2.2036 -2.2036 0.9679 0.9679 0.9800 0.9800 2.7199 2.7199 k = 0.5000 0.1875 0.0847 ( 13596 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5611 -4.5611 -4.2269 -4.2269 -4.2267 -4.2267 -2.9981 -2.9981 -2.9979 -2.9979 -2.2594 -2.2594 -2.2565 -2.2565 -2.2041 -2.2041 -2.2037 -2.2037 0.9693 0.9693 0.9786 0.9786 2.7220 2.7220 k = 0.5000 0.1875 0.0932 ( 13592 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5614 -4.5614 -4.5611 -4.5611 -4.2269 -4.2269 -4.2267 -4.2267 -2.9981 -2.9981 -2.9980 -2.9980 -2.2589 -2.2589 -2.2570 -2.2570 -2.2040 -2.2040 -2.2038 -2.2038 0.9708 0.9708 0.9771 0.9771 2.7242 2.7242 k = 0.5000 0.1875 0.1017 ( 13600 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5613 -4.5613 -4.5612 -4.5612 -4.2269 -4.2269 -4.2267 -4.2267 -2.9981 -2.9981 -2.9980 -2.9980 -2.2584 -2.2584 -2.2575 -2.2575 -2.2040 -2.2040 -2.2038 -2.2038 0.9724 0.9724 0.9755 0.9755 2.7265 2.7265 k = 0.5000 0.1875 0.1101 ( 13584 PWs) bands (ev): -93.0995 -93.0995 -93.0995 -93.0995 -59.9856 -59.9856 -59.9856 -59.9856 -46.6300 -46.6300 -46.6300 -46.6300 -46.3595 -46.3595 -46.3595 -46.3595 -4.5612 -4.5612 -4.5612 -4.5612 -4.2268 -4.2268 -4.2268 -4.2268 -2.9980 -2.9980 -2.9980 -2.9980 -2.2580 -2.2580 -2.2580 -2.2580 -2.2039 -2.2039 -2.2039 -2.2039 0.9739 0.9739 0.9739 0.9739 2.7288 2.7288 Writing output data file Ir.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 196.70s CPU 199.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 196.69s CPU 199.26s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 372 calls) cegterg : 180.11s CPU 181.82s WALL ( 510 calls) Called by sum_band: Called by *egterg: h_psi : 98.71s CPU 100.65s WALL ( 8607 calls) s_psi : 1.99s CPU 1.89s WALL ( 8607 calls) g_psi : 0.21s CPU 0.23s WALL ( 7725 calls) cdiaghg : 73.29s CPU 73.30s WALL ( 8097 calls) cegterg:over : 7.18s CPU 7.28s WALL ( 7725 calls) cegterg:upda : 6.92s CPU 7.00s WALL ( 7725 calls) cegterg:last : 2.20s CPU 2.23s WALL ( 882 calls) cdiaghg:chol : 3.10s CPU 3.06s WALL ( 8097 calls) cdiaghg:inve : 1.04s CPU 1.14s WALL ( 8097 calls) cdiaghg:para : 4.13s CPU 3.99s WALL ( 16194 calls) Called by h_psi: h_psi:vloc : 93.36s CPU 95.27s WALL ( 8607 calls) h_psi:vnl : 5.14s CPU 5.15s WALL ( 8607 calls) add_vuspsi : 2.40s CPU 2.38s WALL ( 8607 calls) General routines calbec : 2.72s CPU 2.75s WALL ( 8607 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.16s CPU 92.05s WALL ( 517116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.41s WALL ( 744 calls) Parallel routines fft_scatter : 56.42s CPU 57.52s WALL ( 517139 calls) PWSCF : 3m58.80s CPU 4m20.19s WALL This run was terminated on: 5:38:55 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=