Program PWSCF v.5.1.1 starts on 28Aug2015 at 18: 4:15 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 35 10 2504 1083 170 Max 63 36 11 2508 1102 175 Sum 2957 1693 489 120281 52515 8217 bravais-lattice index = 14 lattice parameter (alat) = 10.6392 a.u. unit-cell volume = 1204.2640 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.639157 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops. (no inversion) found ( 9 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 0.87 -0.87 G_7 0.00 0.00 0.00 -0.87 0.87 -0.87 0.87 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 4C3' 5 7 8 6 4C3 9 12 10 11 -E -1 -4C3' -5 -7 -8 -6 -4C3 -9 -12 -10 -11 Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 Dense grid: 120281 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 52515 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 282, 48) NL pseudopotentials 0.24 Mb ( 141, 112) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2505) G-vector shells 0.00 Mb ( 578) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 282, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 112, 2, 48) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./CO.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.1 secs Computing kpt #: 4 total cpu time spent up to now is 50.3 secs Computing kpt #: 5 total cpu time spent up to now is 52.5 secs Computing kpt #: 6 total cpu time spent up to now is 55.0 secs Computing kpt #: 7 total cpu time spent up to now is 57.3 secs Computing kpt #: 8 total cpu time spent up to now is 59.5 secs Computing kpt #: 9 total cpu time spent up to now is 61.6 secs Computing kpt #: 10 total cpu time spent up to now is 63.6 secs Computing kpt #: 11 total cpu time spent up to now is 65.7 secs Computing kpt #: 12 total cpu time spent up to now is 67.8 secs Computing kpt #: 13 total cpu time spent up to now is 69.8 secs Computing kpt #: 14 total cpu time spent up to now is 71.9 secs Computing kpt #: 15 total cpu time spent up to now is 74.0 secs Computing kpt #: 16 total cpu time spent up to now is 76.0 secs Computing kpt #: 17 total cpu time spent up to now is 78.0 secs Computing kpt #: 18 total cpu time spent up to now is 80.1 secs Computing kpt #: 19 total cpu time spent up to now is 82.3 secs Computing kpt #: 20 total cpu time spent up to now is 84.5 secs Computing kpt #: 21 total cpu time spent up to now is 86.6 secs Computing kpt #: 22 total cpu time spent up to now is 89.2 secs Computing kpt #: 23 total cpu time spent up to now is 91.1 secs Computing kpt #: 24 total cpu time spent up to now is 93.2 secs Computing kpt #: 25 total cpu time spent up to now is 95.3 secs Computing kpt #: 26 total cpu time spent up to now is 97.3 secs Computing kpt #: 27 total cpu time spent up to now is 99.3 secs Computing kpt #: 28 total cpu time spent up to now is 101.2 secs Computing kpt #: 29 total cpu time spent up to now is 103.2 secs Computing kpt #: 30 total cpu time spent up to now is 105.2 secs Computing kpt #: 31 total cpu time spent up to now is 107.3 secs Computing kpt #: 32 total cpu time spent up to now is 109.2 secs Computing kpt #: 33 total cpu time spent up to now is 111.2 secs Computing kpt #: 34 total cpu time spent up to now is 113.2 secs Computing kpt #: 35 total cpu time spent up to now is 115.1 secs Computing kpt #: 36 total cpu time spent up to now is 117.1 secs Computing kpt #: 37 total cpu time spent up to now is 119.1 secs Computing kpt #: 38 total cpu time spent up to now is 121.1 secs Computing kpt #: 39 total cpu time spent up to now is 123.1 secs Computing kpt #: 40 total cpu time spent up to now is 125.1 secs Computing kpt #: 41 total cpu time spent up to now is 127.0 secs Computing kpt #: 42 total cpu time spent up to now is 129.1 secs Computing kpt #: 43 total cpu time spent up to now is 131.1 secs Computing kpt #: 44 total cpu time spent up to now is 133.0 secs Computing kpt #: 45 total cpu time spent up to now is 135.0 secs Computing kpt #: 46 total cpu time spent up to now is 137.0 secs Computing kpt #: 47 total cpu time spent up to now is 138.9 secs Computing kpt #: 48 total cpu time spent up to now is 140.8 secs Computing kpt #: 49 total cpu time spent up to now is 142.7 secs Computing kpt #: 50 total cpu time spent up to now is 144.6 secs Computing kpt #: 51 total cpu time spent up to now is 146.5 secs Computing kpt #: 52 total cpu time spent up to now is 148.4 secs Computing kpt #: 53 total cpu time spent up to now is 150.4 secs Computing kpt #: 54 total cpu time spent up to now is 152.3 secs Computing kpt #: 55 total cpu time spent up to now is 154.2 secs Computing kpt #: 56 total cpu time spent up to now is 156.2 secs Computing kpt #: 57 total cpu time spent up to now is 158.4 secs Computing kpt #: 58 total cpu time spent up to now is 160.3 secs Computing kpt #: 59 total cpu time spent up to now is 162.3 secs Computing kpt #: 60 total cpu time spent up to now is 164.3 secs Computing kpt #: 61 total cpu time spent up to now is 166.3 secs Computing kpt #: 62 total cpu time spent up to now is 168.2 secs Computing kpt #: 63 total cpu time spent up to now is 170.4 secs Computing kpt #: 64 total cpu time spent up to now is 172.4 secs Computing kpt #: 65 total cpu time spent up to now is 174.4 secs Computing kpt #: 66 total cpu time spent up to now is 176.4 secs Computing kpt #: 67 total cpu time spent up to now is 178.4 secs Computing kpt #: 68 total cpu time spent up to now is 180.4 secs Computing kpt #: 69 total cpu time spent up to now is 182.4 secs Computing kpt #: 70 total cpu time spent up to now is 184.5 secs Computing kpt #: 71 total cpu time spent up to now is 186.6 secs Computing kpt #: 72 total cpu time spent up to now is 188.6 secs Computing kpt #: 73 total cpu time spent up to now is 190.6 secs Computing kpt #: 74 total cpu time spent up to now is 192.6 secs Computing kpt #: 75 total cpu time spent up to now is 194.6 secs Computing kpt #: 76 total cpu time spent up to now is 196.8 secs Computing kpt #: 77 total cpu time spent up to now is 198.8 secs Computing kpt #: 78 total cpu time spent up to now is 201.0 secs Computing kpt #: 79 total cpu time spent up to now is 203.1 secs Computing kpt #: 80 total cpu time spent up to now is 205.2 secs Computing kpt #: 81 total cpu time spent up to now is 207.2 secs Computing kpt #: 82 total cpu time spent up to now is 210.2 secs Computing kpt #: 83 total cpu time spent up to now is 212.3 secs Computing kpt #: 84 total cpu time spent up to now is 214.4 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.5 secs Computing kpt #: 86 total cpu time spent up to now is 222.2 secs Computing kpt #: 87 total cpu time spent up to now is 224.3 secs Computing kpt #: 88 total cpu time spent up to now is 226.8 secs Computing kpt #: 89 total cpu time spent up to now is 229.0 secs Computing kpt #: 90 total cpu time spent up to now is 231.4 secs Computing kpt #: 91 total cpu time spent up to now is 233.6 secs Computing kpt #: 92 total cpu time spent up to now is 235.8 secs Computing kpt #: 93 total cpu time spent up to now is 237.9 secs Computing kpt #: 94 total cpu time spent up to now is 240.1 secs Computing kpt #: 95 total cpu time spent up to now is 242.6 secs Computing kpt #: 96 total cpu time spent up to now is 245.9 secs Computing kpt #: 97 total cpu time spent up to now is 249.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.4 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 101 total cpu time spent up to now is 263.2 secs Computing kpt #: 102 total cpu time spent up to now is 265.5 secs Computing kpt #: 103 total cpu time spent up to now is 267.7 secs Computing kpt #: 104 total cpu time spent up to now is 269.9 secs Computing kpt #: 105 total cpu time spent up to now is 272.1 secs Computing kpt #: 106 total cpu time spent up to now is 274.3 secs Computing kpt #: 107 total cpu time spent up to now is 276.4 secs Computing kpt #: 108 total cpu time spent up to now is 278.5 secs Computing kpt #: 109 total cpu time spent up to now is 280.7 secs Computing kpt #: 110 total cpu time spent up to now is 282.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.8 secs Computing kpt #: 112 total cpu time spent up to now is 288.8 secs Computing kpt #: 113 total cpu time spent up to now is 290.9 secs Computing kpt #: 114 total cpu time spent up to now is 293.0 secs Computing kpt #: 115 total cpu time spent up to now is 295.0 secs Computing kpt #: 116 total cpu time spent up to now is 297.0 secs Computing kpt #: 117 total cpu time spent up to now is 299.3 secs Computing kpt #: 118 total cpu time spent up to now is 301.4 secs Computing kpt #: 119 total cpu time spent up to now is 303.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.6 secs Computing kpt #: 121 total cpu time spent up to now is 309.7 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.9 secs Computing kpt #: 124 total cpu time spent up to now is 320.0 secs Computing kpt #: 125 total cpu time spent up to now is 322.4 secs Computing kpt #: 126 total cpu time spent up to now is 324.4 secs Computing kpt #: 127 total cpu time spent up to now is 326.6 secs Computing kpt #: 128 total cpu time spent up to now is 328.7 secs Computing kpt #: 129 total cpu time spent up to now is 330.7 secs Computing kpt #: 130 total cpu time spent up to now is 332.8 secs Computing kpt #: 131 total cpu time spent up to now is 334.8 secs Computing kpt #: 132 total cpu time spent up to now is 336.8 secs Computing kpt #: 133 total cpu time spent up to now is 338.9 secs Computing kpt #: 134 total cpu time spent up to now is 341.0 secs Computing kpt #: 135 total cpu time spent up to now is 343.0 secs Computing kpt #: 136 total cpu time spent up to now is 345.0 secs Computing kpt #: 137 total cpu time spent up to now is 346.9 secs Computing kpt #: 138 total cpu time spent up to now is 348.9 secs Computing kpt #: 139 total cpu time spent up to now is 350.9 secs Computing kpt #: 140 total cpu time spent up to now is 352.7 secs Computing kpt #: 141 total cpu time spent up to now is 354.6 secs Computing kpt #: 142 total cpu time spent up to now is 356.4 secs Computing kpt #: 143 total cpu time spent up to now is 358.3 secs Computing kpt #: 144 total cpu time spent up to now is 360.0 secs Computing kpt #: 145 total cpu time spent up to now is 361.6 secs Computing kpt #: 146 total cpu time spent up to now is 363.3 secs Computing kpt #: 147 total cpu time spent up to now is 364.8 secs Computing kpt #: 148 total cpu time spent up to now is 366.4 secs Computing kpt #: 149 total cpu time spent up to now is 368.0 secs Computing kpt #: 150 total cpu time spent up to now is 369.6 secs Computing kpt #: 151 total cpu time spent up to now is 371.2 secs Computing kpt #: 152 total cpu time spent up to now is 372.7 secs Computing kpt #: 153 total cpu time spent up to now is 374.4 secs Computing kpt #: 154 total cpu time spent up to now is 376.0 secs Computing kpt #: 155 total cpu time spent up to now is 377.6 secs Computing kpt #: 156 total cpu time spent up to now is 379.2 secs Computing kpt #: 157 total cpu time spent up to now is 381.1 secs Computing kpt #: 158 total cpu time spent up to now is 382.7 secs Computing kpt #: 159 total cpu time spent up to now is 384.4 secs Computing kpt #: 160 total cpu time spent up to now is 386.2 secs Computing kpt #: 161 total cpu time spent up to now is 388.1 secs Computing kpt #: 162 total cpu time spent up to now is 389.9 secs Computing kpt #: 163 total cpu time spent up to now is 391.8 secs Computing kpt #: 164 total cpu time spent up to now is 393.7 secs Computing kpt #: 165 total cpu time spent up to now is 395.6 secs Computing kpt #: 166 total cpu time spent up to now is 397.4 secs Computing kpt #: 167 total cpu time spent up to now is 399.4 secs Computing kpt #: 168 total cpu time spent up to now is 401.4 secs Computing kpt #: 169 total cpu time spent up to now is 403.5 secs Computing kpt #: 170 total cpu time spent up to now is 405.4 secs Computing kpt #: 171 total cpu time spent up to now is 407.3 secs Computing kpt #: 172 total cpu time spent up to now is 409.4 secs Computing kpt #: 173 total cpu time spent up to now is 411.3 secs Computing kpt #: 174 total cpu time spent up to now is 413.3 secs Computing kpt #: 175 total cpu time spent up to now is 415.2 secs Computing kpt #: 176 total cpu time spent up to now is 417.2 secs Computing kpt #: 177 total cpu time spent up to now is 419.2 secs Computing kpt #: 178 total cpu time spent up to now is 421.1 secs Computing kpt #: 179 total cpu time spent up to now is 423.1 secs Computing kpt #: 180 total cpu time spent up to now is 425.1 secs Computing kpt #: 181 total cpu time spent up to now is 427.0 secs Computing kpt #: 182 total cpu time spent up to now is 429.0 secs Computing kpt #: 183 total cpu time spent up to now is 431.1 secs Computing kpt #: 184 total cpu time spent up to now is 433.1 secs Computing kpt #: 185 total cpu time spent up to now is 435.0 secs Computing kpt #: 186 total cpu time spent up to now is 436.9 secs Computing kpt #: 187 total cpu time spent up to now is 438.8 secs Computing kpt #: 188 total cpu time spent up to now is 440.7 secs Computing kpt #: 189 total cpu time spent up to now is 442.7 secs Computing kpt #: 190 total cpu time spent up to now is 444.7 secs Computing kpt #: 191 total cpu time spent up to now is 446.7 secs Computing kpt #: 192 total cpu time spent up to now is 448.6 secs Computing kpt #: 193 total cpu time spent up to now is 450.5 secs Computing kpt #: 194 total cpu time spent up to now is 453.1 secs Computing kpt #: 195 total cpu time spent up to now is 455.0 secs Computing kpt #: 196 total cpu time spent up to now is 456.8 secs Computing kpt #: 197 total cpu time spent up to now is 458.7 secs Computing kpt #: 198 total cpu time spent up to now is 460.6 secs Computing kpt #: 199 total cpu time spent up to now is 462.5 secs Computing kpt #: 200 total cpu time spent up to now is 464.6 secs Computing kpt #: 201 total cpu time spent up to now is 466.5 secs Computing kpt #: 202 total cpu time spent up to now is 468.4 secs Computing kpt #: 203 total cpu time spent up to now is 470.4 secs Computing kpt #: 204 total cpu time spent up to now is 472.2 secs Computing kpt #: 205 total cpu time spent up to now is 474.1 secs Computing kpt #: 206 total cpu time spent up to now is 476.0 secs Computing kpt #: 207 total cpu time spent up to now is 477.9 secs Computing kpt #: 208 total cpu time spent up to now is 479.7 secs Computing kpt #: 209 total cpu time spent up to now is 481.7 secs Computing kpt #: 210 total cpu time spent up to now is 483.4 secs Computing kpt #: 211 total cpu time spent up to now is 485.2 secs Computing kpt #: 212 total cpu time spent up to now is 487.0 secs Computing kpt #: 213 total cpu time spent up to now is 488.8 secs Computing kpt #: 214 total cpu time spent up to now is 490.4 secs Computing kpt #: 215 total cpu time spent up to now is 492.0 secs Computing kpt #: 216 total cpu time spent up to now is 493.7 secs Computing kpt #: 217 total cpu time spent up to now is 495.3 secs Computing kpt #: 218 total cpu time spent up to now is 496.9 secs Computing kpt #: 219 total cpu time spent up to now is 498.4 secs ethr = 2.50E-11, avg # of iterations = 39.7 total cpu time spent up to now is 498.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -25.9305 -25.9305 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -9.6156 -9.6156 -9.6156 -9.6156 -9.6135 -9.6135 -9.4991 -9.4991 -8.1141 -8.1141 -8.1002 -8.1002 -8.1002 -8.1002 -7.9339 -7.9339 -7.9339 -7.9339 -7.8193 -7.8193 -7.8024 -7.8024 -7.8024 -7.8024 -5.2853 -5.2853 -4.1634 -4.1634 -4.1634 -4.1634 -4.1628 -4.1628 2.5497 2.5497 2.5566 2.5566 2.5566 2.5566 3.3649 3.3650 k = 0.0000 0.0179-0.0000 ( 6619 PWs) bands (ev): -25.9304 -25.9304 -25.8886 -25.8886 -25.8882 -25.8882 -25.8878 -25.8878 -9.6167 -9.6161 -9.6154 -9.6144 -9.6140 -9.6126 -9.4992 -9.4992 -8.1160 -8.1123 -8.1029 -8.1013 -8.0989 -8.0974 -7.9342 -7.9340 -7.9338 -7.9337 -7.8203 -7.8188 -7.8036 -7.8029 -7.8023 -7.8014 -5.2843 -5.2843 -4.1718 -4.1714 -4.1631 -4.1631 -4.1557 -4.1553 2.5283 2.5334 2.5540 2.5546 2.5771 2.5811 3.3635 3.3656 k = 0.0000 0.0357-0.0000 ( 6611 PWs) bands (ev): -25.9304 -25.9304 -25.8891 -25.8891 -25.8882 -25.8882 -25.8875 -25.8875 -9.6178 -9.6168 -9.6153 -9.6143 -9.6131 -9.6114 -9.4994 -9.4994 -8.1180 -8.1106 -8.1054 -8.1020 -8.0971 -8.0945 -7.9346 -7.9341 -7.9335 -7.9334 -7.8216 -7.8187 -7.8051 -7.8039 -7.8027 -7.8006 -5.2814 -5.2814 -4.1810 -4.1807 -4.1628 -4.1627 -4.1487 -4.1483 2.5066 2.5116 2.5545 2.5545 2.6027 2.6068 3.3611 3.3640 k = 0.0000 0.0536-0.0000 ( 6595 PWs) bands (ev): -25.9302 -25.9302 -25.8896 -25.8896 -25.8882 -25.8882 -25.8871 -25.8871 -9.6186 -9.6175 -9.6152 -9.6144 -9.6116 -9.6101 -9.4998 -9.4998 -8.1199 -8.1091 -8.1078 -8.1025 -8.0951 -8.0915 -7.9351 -7.9343 -7.9331 -7.9330 -7.8233 -7.8192 -7.8068 -7.8054 -7.8035 -7.8002 -5.2766 -5.2766 -4.1910 -4.1907 -4.1623 -4.1622 -4.1423 -4.1419 2.4861 2.4911 2.5545 2.5549 2.6297 2.6337 3.3564 3.3593 k = 0.0000 0.0714-0.0000 ( 6579 PWs) bands (ev): -25.9300 -25.9300 -25.8901 -25.8901 -25.8881 -25.8881 -25.8868 -25.8868 -9.6194 -9.6182 -9.6151 -9.6144 -9.6101 -9.6086 -9.5003 -9.5003 -8.1219 -8.1101 -8.1077 -8.1028 -8.0927 -8.0883 -7.9357 -7.9346 -7.9325 -7.9324 -7.8254 -7.8203 -7.8088 -7.8075 -7.8046 -7.8000 -5.2698 -5.2698 -4.2018 -4.2015 -4.1615 -4.1615 -4.1366 -4.1362 2.4670 2.4722 2.5547 2.5553 2.6578 2.6617 3.3488 3.3520 k = 0.0000 0.0893-0.0000 ( 6575 PWs) bands (ev): -25.9297 -25.9297 -25.8906 -25.8906 -25.8881 -25.8881 -25.8866 -25.8866 -9.6201 -9.6188 -9.6151 -9.6144 -9.6084 -9.6070 -9.5010 -9.5010 -8.1238 -8.1123 -8.1064 -8.1030 -8.0900 -8.0851 -7.9365 -7.9350 -7.9317 -7.9317 -7.8277 -7.8220 -7.8111 -7.8100 -7.8058 -7.8001 -5.2612 -5.2612 -4.2136 -4.2133 -4.1606 -4.1605 -4.1315 -4.1311 2.4494 2.4547 2.5548 2.5557 2.6870 2.6907 3.3392 3.3428 k = 0.0000 0.1071-0.0000 ( 6583 PWs) bands (ev): -25.9294 -25.9294 -25.8912 -25.8912 -25.8881 -25.8881 -25.8863 -25.8863 -9.6207 -9.6193 -9.6151 -9.6144 -9.6067 -9.6053 -9.5019 -9.5018 -8.1255 -8.1142 -8.1052 -8.1031 -8.0871 -8.0818 -7.9373 -7.9355 -7.9309 -7.9308 -7.8304 -7.8244 -7.8135 -7.8130 -7.8072 -7.8004 -5.2508 -5.2507 -4.2262 -4.2260 -4.1596 -4.1594 -4.1269 -4.1265 2.4334 2.4387 2.5548 2.5560 2.7170 2.7206 3.3284 3.3323 k = 0.0000 0.1250-0.0000 ( 6575 PWs) bands (ev): -25.9290 -25.9290 -25.8918 -25.8918 -25.8880 -25.8880 -25.8861 -25.8861 -9.6213 -9.6198 -9.6150 -9.6143 -9.6048 -9.6035 -9.5028 -9.5028 -8.1272 -8.1160 -8.1040 -8.1030 -8.0840 -8.0783 -7.9383 -7.9361 -7.9299 -7.9298 -7.8334 -7.8275 -7.8164 -7.8162 -7.8086 -7.8010 -5.2386 -5.2385 -4.2398 -4.2396 -4.1583 -4.1581 -4.1228 -4.1224 2.4188 2.4242 2.5547 2.5561 2.7479 2.7513 3.3168 3.3210 k = 0.0000 0.1429-0.0000 ( 6579 PWs) bands (ev): -25.9286 -25.9286 -25.8925 -25.8925 -25.8879 -25.8879 -25.8860 -25.8860 -9.6217 -9.6202 -9.6150 -9.6143 -9.6029 -9.6017 -9.5040 -9.5039 -8.1287 -8.1177 -8.1029 -8.1029 -8.0807 -8.0748 -7.9393 -7.9368 -7.9288 -7.9285 -7.8368 -7.8312 -7.8200 -7.8191 -7.8102 -7.8019 -5.2247 -5.2246 -4.2543 -4.2541 -4.1568 -4.1567 -4.1192 -4.1187 2.4057 2.4112 2.5543 2.5560 2.7794 2.7826 3.3048 3.3092 k = 0.0000 0.1607-0.0000 ( 6579 PWs) bands (ev): -25.9281 -25.9281 -25.8932 -25.8932 -25.8879 -25.8879 -25.8858 -25.8858 -9.6220 -9.6205 -9.6150 -9.6142 -9.6008 -9.5997 -9.5052 -9.5052 -8.1301 -8.1192 -8.1028 -8.1019 -8.0772 -8.0712 -7.9404 -7.9375 -7.9276 -7.9272 -7.8404 -7.8355 -7.8239 -7.8222 -7.8118 -7.8030 -5.2091 -5.2091 -4.2698 -4.2696 -4.1552 -4.1551 -4.1160 -4.1155 2.3942 2.3998 2.5536 2.5556 2.8114 2.8144 3.2927 3.2974 k = 0.0000 0.1786-0.0000 ( 6563 PWs) bands (ev): -25.9276 -25.9276 -25.8939 -25.8939 -25.8878 -25.8878 -25.8857 -25.8857 -9.6222 -9.6207 -9.6150 -9.6142 -9.5987 -9.5976 -9.5066 -9.5066 -8.1313 -8.1204 -8.1027 -8.1009 -8.0736 -8.0674 -7.9415 -7.9383 -7.9263 -7.9257 -7.8444 -7.8402 -7.8280 -7.8254 -7.8135 -7.8044 -5.1920 -5.1920 -4.2863 -4.2861 -4.1535 -4.1533 -4.1132 -4.1128 2.3842 2.3898 2.5525 2.5547 2.8438 2.8465 3.2809 3.2857 k = 0.0000 0.1964-0.0000 ( 6559 PWs) bands (ev): -25.9270 -25.9270 -25.8947 -25.8947 -25.8877 -25.8877 -25.8855 -25.8855 -9.6224 -9.6208 -9.6150 -9.6141 -9.5964 -9.5954 -9.5081 -9.5081 -8.1323 -8.1215 -8.1026 -8.1000 -8.0699 -8.0636 -7.9427 -7.9390 -7.9249 -7.9240 -7.8486 -7.8453 -7.8322 -7.8288 -7.8154 -7.8060 -5.1735 -5.1735 -4.3037 -4.3035 -4.1515 -4.1513 -4.1108 -4.1104 2.3757 2.3814 2.5508 2.5533 2.8764 2.8788 3.2696 3.2744 k = 0.0000 0.2143-0.0000 ( 6543 PWs) bands (ev): -25.9263 -25.9263 -25.8955 -25.8955 -25.8876 -25.8876 -25.8854 -25.8854 -9.6225 -9.6209 -9.6150 -9.6141 -9.5941 -9.5931 -9.5098 -9.5098 -8.1332 -8.1224 -8.1025 -8.0992 -8.0661 -8.0597 -7.9439 -7.9397 -7.9235 -7.9223 -7.8530 -7.8506 -7.8365 -7.8324 -7.8175 -7.8078 -5.1535 -5.1535 -4.3221 -4.3219 -4.1495 -4.1493 -4.1088 -4.1083 2.3686 2.3745 2.5485 2.5513 2.9090 2.9111 3.2591 3.2639 k = 0.0000 0.2321-0.0000 ( 6543 PWs) bands (ev): -25.9257 -25.9257 -25.8963 -25.8963 -25.8875 -25.8875 -25.8854 -25.8854 -9.6225 -9.6209 -9.6150 -9.6141 -9.5917 -9.5907 -9.5116 -9.5115 -8.1338 -8.1231 -8.1026 -8.0986 -8.0621 -8.0556 -7.9451 -7.9404 -7.9221 -7.9204 -7.8576 -7.8560 -7.8407 -7.8361 -7.8197 -7.8099 -5.1323 -5.1323 -4.3414 -4.3413 -4.1474 -4.1471 -4.1071 -4.1066 2.3631 2.3690 2.5455 2.5486 2.9414 2.9431 3.2495 3.2542 k = 0.0000 0.2500-0.0000 ( 6559 PWs) bands (ev): -25.9249 -25.9249 -25.8972 -25.8972 -25.8874 -25.8874 -25.8853 -25.8853 -9.6225 -9.6208 -9.6151 -9.6141 -9.5892 -9.5883 -9.5135 -9.5134 -8.1343 -8.1236 -8.1028 -8.0981 -8.0580 -8.0515 -7.9463 -7.9411 -7.9208 -7.9185 -7.8621 -7.8615 -7.8450 -7.8400 -7.8221 -7.8122 -5.1098 -5.1098 -4.3617 -4.3615 -4.1451 -4.1449 -4.1057 -4.1053 2.3590 2.3649 2.5417 2.5451 2.9733 2.9746 3.2409 3.2456 k = 0.0000 0.2679-0.0000 ( 6551 PWs) bands (ev): -25.9242 -25.9242 -25.8981 -25.8981 -25.8874 -25.8874 -25.8853 -25.8853 -9.6224 -9.6207 -9.6151 -9.6141 -9.5867 -9.5858 -9.5155 -9.5155 -8.1345 -8.1239 -8.1031 -8.0977 -8.0538 -8.0473 -7.9475 -7.9418 -7.9196 -7.9165 -7.8668 -7.8665 -7.8493 -7.8439 -7.8247 -7.8147 -5.0863 -5.0863 -4.3828 -4.3827 -4.1428 -4.1425 -4.1047 -4.1042 2.3563 2.3623 2.5371 2.5408 3.0044 3.0052 3.2334 3.2380 k = 0.0000 0.2857-0.0000 ( 6543 PWs) bands (ev): -25.9234 -25.9234 -25.8990 -25.8990 -25.8873 -25.8873 -25.8853 -25.8853 -9.6222 -9.6205 -9.6152 -9.6141 -9.5840 -9.5832 -9.5177 -9.5176 -8.1346 -8.1239 -8.1035 -8.0976 -8.0495 -8.0429 -7.9488 -7.9426 -7.9187 -7.9145 -7.8718 -7.8705 -7.8534 -7.8479 -7.8274 -7.8174 -5.0617 -5.0617 -4.4049 -4.4048 -4.1404 -4.1401 -4.1039 -4.1034 2.3549 2.3610 2.5317 2.5357 3.0345 3.0348 3.2271 3.2316 k = 0.0000 0.3036-0.0000 ( 6555 PWs) bands (ev): -25.9225 -25.9225 -25.8999 -25.8999 -25.8872 -25.8872 -25.8853 -25.8853 -9.6220 -9.6203 -9.6153 -9.6142 -9.5814 -9.5806 -9.5199 -9.5198 -8.1344 -8.1238 -8.1041 -8.0976 -8.0451 -8.0385 -7.9502 -7.9434 -7.9180 -7.9126 -7.8764 -7.8740 -7.8575 -7.8520 -7.8303 -7.8202 -5.0363 -5.0363 -4.4278 -4.4277 -4.1380 -4.1377 -4.1034 -4.1029 2.3549 2.3610 2.5255 2.5298 3.0629 3.0632 3.2219 3.2263 k = 0.0000 0.3214-0.0000 ( 6571 PWs) bands (ev): -25.9216 -25.9216 -25.9009 -25.9009 -25.8871 -25.8871 -25.8853 -25.8853 -9.6218 -9.6201 -9.6154 -9.6143 -9.5786 -9.5779 -9.5222 -9.5221 -8.1341 -8.1235 -8.1050 -8.0979 -8.0405 -8.0339 -7.9519 -7.9445 -7.9176 -7.9108 -7.8803 -7.8768 -7.8615 -7.8561 -7.8333 -7.8232 -5.0100 -5.0100 -4.4516 -4.4515 -4.1355 -4.1352 -4.1031 -4.1027 2.3561 2.3623 2.5184 2.5230 3.0891 3.0901 3.2179 3.2222 k = 0.0000 0.3393-0.0000 ( 6567 PWs) bands (ev): -25.9207 -25.9207 -25.9019 -25.9019 -25.8869 -25.8869 -25.8853 -25.8853 -9.6215 -9.6198 -9.6156 -9.6144 -9.5758 -9.5751 -9.5247 -9.5245 -8.1335 -8.1229 -8.1059 -8.0984 -8.0359 -8.0293 -7.9537 -7.9459 -7.9176 -7.9093 -7.8833 -7.8789 -7.8651 -7.8602 -7.8364 -7.8263 -4.9830 -4.9830 -4.4761 -4.4760 -4.1331 -4.1327 -4.1031 -4.1027 2.3585 2.3648 2.5106 2.5155 3.1132 3.1148 3.2149 3.2191 k = 0.0000 0.3571-0.0000 ( 6551 PWs) bands (ev): -25.9198 -25.9198 -25.9029 -25.9029 -25.8868 -25.8868 -25.8853 -25.8853 -9.6211 -9.6195 -9.6158 -9.6145 -9.5730 -9.5723 -9.5272 -9.5270 -8.1327 -8.1222 -8.1071 -8.0992 -8.0311 -8.0245 -7.9560 -7.9479 -7.9175 -7.9082 -7.8852 -7.8805 -7.8682 -7.8642 -7.8397 -7.8295 -4.9554 -4.9554 -4.5013 -4.5013 -4.1306 -4.1302 -4.1034 -4.1029 2.3621 2.3684 2.5022 2.5072 3.1347 3.1369 3.2128 3.2170 k = 0.0000 0.3750-0.0000 ( 6543 PWs) bands (ev): -25.9188 -25.9188 -25.9039 -25.9039 -25.8867 -25.8867 -25.8854 -25.8854 -9.6208 -9.6191 -9.6160 -9.6147 -9.5701 -9.5695 -9.5298 -9.5296 -8.1317 -8.1212 -8.1084 -8.1001 -8.0262 -8.0196 -7.9588 -7.9506 -7.9174 -7.9073 -7.8858 -7.8822 -7.8702 -7.8682 -7.8430 -7.8329 -4.9272 -4.9272 -4.5273 -4.5272 -4.1281 -4.1277 -4.1038 -4.1034 2.3667 2.3730 2.4931 2.4984 3.1534 3.1562 3.2116 3.2157 k = 0.0000 0.3929-0.0000 ( 6536 PWs) bands (ev): -25.9178 -25.9178 -25.9050 -25.9050 -25.8866 -25.8866 -25.8854 -25.8854 -9.6204 -9.6188 -9.6162 -9.6149 -9.5672 -9.5666 -9.5324 -9.5322 -8.1306 -8.1201 -8.1099 -8.1013 -8.0212 -8.0146 -7.9621 -7.9539 -7.9169 -7.9067 -7.8856 -7.8846 -7.8718 -7.8708 -7.8464 -7.8363 -4.8987 -4.8987 -4.5539 -4.5538 -4.1257 -4.1253 -4.1045 -4.1040 2.3723 2.3787 2.4835 2.4890 3.1691 3.1725 3.2110 3.2151 k = 0.0000 0.4107-0.0000 ( 6532 PWs) bands (ev): -25.9168 -25.9168 -25.9060 -25.9060 -25.8865 -25.8865 -25.8855 -25.8855 -9.6200 -9.6184 -9.6165 -9.6151 -9.5642 -9.5637 -9.5351 -9.5349 -8.1293 -8.1189 -8.1116 -8.1026 -8.0161 -8.0095 -7.9658 -7.9579 -7.9159 -7.9059 -7.8876 -7.8851 -7.8747 -7.8700 -7.8498 -7.8398 -4.8698 -4.8698 -4.5810 -4.5810 -4.1233 -4.1229 -4.1054 -4.1049 2.3789 2.3853 2.4736 2.4792 3.1818 3.1856 3.2109 3.2150 k = 0.0000 0.4286-0.0000 ( 6544 PWs) bands (ev): -25.9157 -25.9157 -25.9071 -25.9071 -25.8864 -25.8864 -25.8856 -25.8856 -9.6196 -9.6180 -9.6167 -9.6153 -9.5613 -9.5608 -9.5379 -9.5377 -8.1278 -8.1175 -8.1133 -8.1041 -8.0110 -8.0043 -7.9701 -7.9623 -7.9144 -7.9048 -7.8909 -7.8855 -7.8760 -7.8683 -7.8533 -7.8433 -4.8406 -4.8406 -4.6087 -4.6087 -4.1210 -4.1205 -4.1065 -4.1061 2.3863 2.3926 2.4633 2.4692 3.1917 3.1958 3.2111 3.2152 k = 0.0000 0.4464-0.0000 ( 6536 PWs) bands (ev): -25.9147 -25.9147 -25.9082 -25.9082 -25.8863 -25.8863 -25.8856 -25.8856 -9.6192 -9.6176 -9.6170 -9.6156 -9.5583 -9.5579 -9.5407 -9.5405 -8.1262 -8.1159 -8.1151 -8.1057 -8.0058 -7.9991 -7.9747 -7.9672 -7.9125 -7.9033 -7.8944 -7.8876 -7.8751 -7.8660 -7.8567 -7.8468 -4.8113 -4.8113 -4.6368 -4.6368 -4.1187 -4.1183 -4.1078 -4.1073 2.3944 2.4007 2.4530 2.4589 3.1991 3.2034 3.2113 3.2154 k = 0.0000 0.4643-0.0000 ( 6544 PWs) bands (ev): -25.9136 -25.9136 -25.9093 -25.9093 -25.8861 -25.8861 -25.8857 -25.8857 -9.6189 -9.6174 -9.6173 -9.6159 -9.5554 -9.5549 -9.5436 -9.5433 -8.1245 -8.1170 -8.1143 -8.1074 -8.0005 -7.9937 -7.9796 -7.9723 -7.9101 -7.9014 -7.8979 -7.8904 -7.8728 -7.8633 -7.8602 -7.8503 -4.7819 -4.7819 -4.6654 -4.6654 -4.1166 -4.1162 -4.1093 -4.1088 2.4031 2.4095 2.4426 2.4486 3.2044 3.2087 3.2114 3.2156 k = 0.0000 0.4821-0.0000 ( 6528 PWs) bands (ev): -25.9125 -25.9125 -25.9103 -25.9103 -25.8860 -25.8860 -25.8858 -25.8858 -9.6185 -9.6177 -9.6169 -9.6162 -9.5524 -9.5520 -9.5465 -9.5462 -8.1227 -8.1189 -8.1126 -8.1091 -7.9952 -7.9884 -7.9847 -7.9776 -7.9075 -7.9013 -7.8990 -7.8935 -7.8700 -7.8636 -7.8603 -7.8537 -4.7526 -4.7525 -4.6942 -4.6942 -4.1145 -4.1141 -4.1109 -4.1104 2.4125 2.4187 2.4323 2.4384 3.2079 3.2111 3.2122 3.2153 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8859 -25.8859 -25.8859 -25.8859 -9.6181 -9.6181 -9.6166 -9.6166 -9.5494 -9.5494 -9.5491 -9.5491 -8.1208 -8.1208 -8.1109 -8.1109 -7.9899 -7.9899 -7.9830 -7.9830 -7.9045 -7.9045 -7.8964 -7.8964 -7.8669 -7.8669 -7.8571 -7.8571 -4.7233 -4.7233 -4.7233 -4.7233 -4.1126 -4.1126 -4.1122 -4.1122 2.4222 2.4222 2.4284 2.4284 3.2100 3.2100 3.2142 3.2142 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8859 -25.8859 -25.8859 -25.8859 -9.6181 -9.6181 -9.6166 -9.6166 -9.5494 -9.5494 -9.5491 -9.5491 -8.1208 -8.1208 -8.1109 -8.1109 -7.9899 -7.9899 -7.9830 -7.9830 -7.9045 -7.9045 -7.8964 -7.8964 -7.8669 -7.8669 -7.8571 -7.8571 -4.7233 -4.7233 -4.7233 -4.7233 -4.1126 -4.1126 -4.1122 -4.1122 2.4222 2.4222 2.4284 2.4284 3.2100 3.2100 3.2142 3.2142 k = 0.0179 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8859 -25.8859 -25.8859 -25.8859 -9.6181 -9.6181 -9.6165 -9.6165 -9.5495 -9.5495 -9.5491 -9.5491 -8.1209 -8.1209 -8.1109 -8.1109 -7.9900 -7.9900 -7.9831 -7.9831 -7.9045 -7.9045 -7.8963 -7.8963 -7.8667 -7.8667 -7.8569 -7.8569 -4.7229 -4.7229 -4.7229 -4.7229 -4.1130 -4.1130 -4.1126 -4.1126 2.4228 2.4228 2.4290 2.4290 3.2094 3.2094 3.2137 3.2137 k = 0.0357 0.5000-0.0000 ( 6516 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8860 -25.8860 -25.8860 -25.8860 -9.6180 -9.6180 -9.6165 -9.6165 -9.5497 -9.5497 -9.5493 -9.5493 -8.1210 -8.1210 -8.1112 -8.1112 -7.9903 -7.9903 -7.9834 -7.9834 -7.9045 -7.9045 -7.8961 -7.8961 -7.8663 -7.8663 -7.8565 -7.8565 -4.7217 -4.7217 -4.7216 -4.7216 -4.1142 -4.1142 -4.1138 -4.1138 2.4244 2.4244 2.4307 2.4307 3.2078 3.2078 3.2122 3.2122 k = 0.0536 0.5000-0.0000 ( 6522 PWs) bands (ev): -25.9113 -25.9113 -25.9113 -25.9113 -25.8860 -25.8860 -25.8860 -25.8860 -9.6179 -9.6179 -9.6164 -9.6164 -9.5499 -9.5499 -9.5496 -9.5496 -8.1213 -8.1213 -8.1115 -8.1115 -7.9908 -7.9908 -7.9840 -7.9840 -7.9045 -7.9045 -7.8958 -7.8958 -7.8655 -7.8655 -7.8559 -7.8559 -4.7196 -4.7196 -4.7195 -4.7195 -4.1162 -4.1162 -4.1157 -4.1157 2.4271 2.4271 2.4334 2.4334 3.2052 3.2052 3.2097 3.2097 k = 0.0714 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9112 -25.9112 -25.9112 -25.9112 -25.8861 -25.8861 -25.8861 -25.8861 -9.6178 -9.6178 -9.6163 -9.6163 -9.5503 -9.5503 -9.5500 -9.5500 -8.1217 -8.1217 -8.1121 -8.1121 -7.9915 -7.9915 -7.9848 -7.9848 -7.9044 -7.9044 -7.8955 -7.8955 -7.8645 -7.8645 -7.8550 -7.8550 -4.7168 -4.7168 -4.7167 -4.7167 -4.1189 -4.1189 -4.1185 -4.1185 2.4309 2.4309 2.4372 2.4372 3.2015 3.2015 3.2063 3.2063 k = 0.0893 0.5000-0.0000 ( 6552 PWs) bands (ev): -25.9111 -25.9111 -25.9111 -25.9111 -25.8863 -25.8863 -25.8863 -25.8863 -9.6177 -9.6177 -9.6162 -9.6162 -9.5509 -9.5509 -9.5505 -9.5505 -8.1222 -8.1222 -8.1127 -8.1127 -7.9924 -7.9924 -7.9858 -7.9858 -7.9043 -7.9043 -7.8951 -7.8951 -7.8632 -7.8632 -7.8539 -7.8539 -4.7132 -4.7132 -4.7130 -4.7130 -4.1225 -4.1225 -4.1220 -4.1220 2.4357 2.4357 2.4420 2.4420 3.1969 3.1969 3.2020 3.2020 k = 0.1071 0.5000-0.0000 ( 6550 PWs) bands (ev): -25.9109 -25.9109 -25.9109 -25.9109 -25.8864 -25.8864 -25.8864 -25.8864 -9.6175 -9.6175 -9.6160 -9.6160 -9.5515 -9.5515 -9.5511 -9.5511 -8.1227 -8.1227 -8.1135 -8.1135 -7.9935 -7.9935 -7.9870 -7.9870 -7.9041 -7.9041 -7.8947 -7.8947 -7.8617 -7.8617 -7.8526 -7.8526 -4.7088 -4.7088 -4.7086 -4.7086 -4.1268 -4.1268 -4.1263 -4.1263 2.4415 2.4415 2.4478 2.4478 3.1915 3.1915 3.1968 3.1968 k = 0.1250 0.5000-0.0000 ( 6550 PWs) bands (ev): -25.9108 -25.9108 -25.9108 -25.9108 -25.8866 -25.8866 -25.8866 -25.8866 -9.6173 -9.6173 -9.6158 -9.6158 -9.5522 -9.5522 -9.5517 -9.5517 -8.1233 -8.1233 -8.1144 -8.1144 -7.9946 -7.9946 -7.9884 -7.9884 -7.9038 -7.9038 -7.8943 -7.8943 -7.8599 -7.8599 -7.8511 -7.8511 -4.7036 -4.7036 -4.7034 -4.7034 -4.1318 -4.1318 -4.1313 -4.1313 2.4482 2.4482 2.4545 2.4545 3.1853 3.1853 3.1908 3.1908 k = 0.1429 0.5000-0.0000 ( 6556 PWs) bands (ev): -25.9106 -25.9106 -25.9106 -25.9106 -25.8868 -25.8868 -25.8868 -25.8868 -9.6170 -9.6170 -9.6156 -9.6156 -9.5530 -9.5530 -9.5525 -9.5525 -8.1240 -8.1240 -8.1154 -8.1154 -7.9960 -7.9960 -7.9899 -7.9899 -7.9033 -7.9033 -7.8938 -7.8938 -7.8580 -7.8580 -7.8495 -7.8495 -4.6977 -4.6977 -4.6975 -4.6975 -4.1375 -4.1375 -4.1370 -4.1370 2.4557 2.4557 2.4621 2.4621 3.1783 3.1783 3.1842 3.1842 k = 0.1607 0.5000-0.0000 ( 6560 PWs) bands (ev): -25.9104 -25.9104 -25.9104 -25.9104 -25.8870 -25.8870 -25.8870 -25.8870 -9.6167 -9.6167 -9.6153 -9.6153 -9.5538 -9.5538 -9.5534 -9.5534 -8.1248 -8.1248 -8.1164 -8.1164 -7.9974 -7.9974 -7.9916 -7.9916 -7.9028 -7.9028 -7.8934 -7.8934 -7.8559 -7.8559 -7.8478 -7.8478 -4.6912 -4.6912 -4.6909 -4.6909 -4.1439 -4.1439 -4.1434 -4.1434 2.4641 2.4641 2.4705 2.4705 3.1708 3.1708 3.1769 3.1769 k = 0.1786 0.5000-0.0000 ( 6552 PWs) bands (ev): -25.9101 -25.9101 -25.9101 -25.9101 -25.8872 -25.8872 -25.8872 -25.8872 -9.6164 -9.6164 -9.6150 -9.6150 -9.5548 -9.5548 -9.5543 -9.5543 -8.1255 -8.1255 -8.1175 -8.1175 -7.9989 -7.9989 -7.9934 -7.9934 -7.9021 -7.9021 -7.8929 -7.8929 -7.8538 -7.8538 -7.8461 -7.8461 -4.6839 -4.6839 -4.6837 -4.6837 -4.1509 -4.1509 -4.1504 -4.1504 2.4732 2.4732 2.4795 2.4795 3.1628 3.1628 3.1691 3.1691 k = 0.1964 0.5000-0.0000 ( 6568 PWs) bands (ev): -25.9099 -25.9099 -25.9099 -25.9099 -25.8875 -25.8875 -25.8875 -25.8875 -9.6161 -9.6161 -9.6147 -9.6147 -9.5558 -9.5558 -9.5553 -9.5553 -8.1263 -8.1263 -8.1186 -8.1186 -8.0006 -8.0006 -7.9953 -7.9953 -7.9014 -7.9014 -7.8925 -7.8925 -7.8516 -7.8516 -7.8443 -7.8443 -4.6761 -4.6761 -4.6758 -4.6758 -4.1585 -4.1585 -4.1580 -4.1580 2.4828 2.4828 2.4892 2.4892 3.1544 3.1544 3.1609 3.1609 k = 0.2143 0.5000-0.0000 ( 6572 PWs) bands (ev): -25.9096 -25.9096 -25.9096 -25.9096 -25.8878 -25.8878 -25.8878 -25.8878 -9.6157 -9.6157 -9.6144 -9.6144 -9.5568 -9.5568 -9.5564 -9.5564 -8.1270 -8.1270 -8.1198 -8.1198 -8.0022 -8.0022 -7.9973 -7.9973 -7.9006 -7.9006 -7.8920 -7.8920 -7.8493 -7.8493 -7.8425 -7.8425 -4.6677 -4.6677 -4.6674 -4.6674 -4.1667 -4.1667 -4.1662 -4.1662 2.4931 2.4931 2.4994 2.4994 3.1457 3.1457 3.1523 3.1523 k = 0.2321 0.5000-0.0000 ( 6562 PWs) bands (ev): -25.9093 -25.9093 -25.9093 -25.9093 -25.8880 -25.8880 -25.8880 -25.8880 -9.6153 -9.6153 -9.6140 -9.6140 -9.5579 -9.5579 -9.5575 -9.5575 -8.1278 -8.1278 -8.1209 -8.1209 -8.0039 -8.0039 -7.9993 -7.9993 -7.8997 -7.8997 -7.8916 -7.8916 -7.8470 -7.8470 -7.8406 -7.8406 -4.6587 -4.6587 -4.6584 -4.6584 -4.1754 -4.1754 -4.1748 -4.1748 2.5037 2.5037 2.5101 2.5101 3.1369 3.1369 3.1436 3.1436 k = 0.2500 0.5000-0.0000 ( 6558 PWs) bands (ev): -25.9090 -25.9090 -25.9090 -25.9090 -25.8883 -25.8883 -25.8883 -25.8883 -9.6149 -9.6149 -9.6136 -9.6136 -9.5591 -9.5591 -9.5586 -9.5586 -8.1285 -8.1285 -8.1220 -8.1220 -8.0056 -8.0056 -8.0013 -8.0013 -7.8988 -7.8988 -7.8911 -7.8911 -7.8448 -7.8448 -7.8388 -7.8388 -4.6494 -4.6494 -4.6490 -4.6490 -4.1845 -4.1845 -4.1839 -4.1839 2.5147 2.5147 2.5210 2.5210 3.1279 3.1279 3.1346 3.1346 k = 0.2679 0.5000-0.0000 ( 6570 PWs) bands (ev): -25.9087 -25.9087 -25.9087 -25.9087 -25.8886 -25.8886 -25.8886 -25.8886 -9.6144 -9.6144 -9.6132 -9.6132 -9.5602 -9.5602 -9.5597 -9.5597 -8.1292 -8.1292 -8.1231 -8.1231 -8.0073 -8.0073 -8.0033 -8.0033 -7.8979 -7.8979 -7.8907 -7.8907 -7.8426 -7.8426 -7.8371 -7.8371 -4.6396 -4.6396 -4.6392 -4.6392 -4.1941 -4.1941 -4.1935 -4.1935 2.5258 2.5258 2.5320 2.5320 3.1189 3.1189 3.1257 3.1257 k = 0.2857 0.5000-0.0000 ( 6558 PWs) bands (ev): -25.9084 -25.9084 -25.9084 -25.9084 -25.8889 -25.8889 -25.8889 -25.8889 -9.6139 -9.6139 -9.6128 -9.6128 -9.5614 -9.5614 -9.5609 -9.5609 -8.1298 -8.1298 -8.1242 -8.1242 -8.0090 -8.0090 -8.0053 -8.0053 -7.8970 -7.8970 -7.8903 -7.8903 -7.8404 -7.8404 -7.8354 -7.8354 -4.6295 -4.6295 -4.6291 -4.6291 -4.2039 -4.2039 -4.2033 -4.2033 2.5370 2.5370 2.5431 2.5431 3.1101 3.1101 3.1168 3.1168 k = 0.3036 0.5000-0.0000 ( 6556 PWs) bands (ev): -25.9080 -25.9080 -25.9080 -25.9080 -25.8893 -25.8893 -25.8893 -25.8893 -9.6134 -9.6134 -9.6123 -9.6123 -9.5625 -9.5625 -9.5620 -9.5620 -8.1304 -8.1304 -8.1252 -8.1252 -8.0106 -8.0106 -8.0073 -8.0073 -7.8960 -7.8960 -7.8899 -7.8899 -7.8384 -7.8384 -7.8338 -7.8338 -4.6192 -4.6192 -4.6188 -4.6188 -4.2139 -4.2139 -4.2133 -4.2133 2.5482 2.5482 2.5541 2.5541 3.1014 3.1014 3.1080 3.1080 k = 0.3214 0.5000-0.0000 ( 6540 PWs) bands (ev): -25.9077 -25.9077 -25.9077 -25.9077 -25.8896 -25.8896 -25.8896 -25.8896 -9.6129 -9.6129 -9.6119 -9.6119 -9.5636 -9.5636 -9.5632 -9.5632 -8.1309 -8.1309 -8.1262 -8.1262 -8.0122 -8.0122 -8.0091 -8.0091 -7.8951 -7.8951 -7.8895 -7.8895 -7.8364 -7.8364 -7.8323 -7.8323 -4.6088 -4.6088 -4.6084 -4.6084 -4.2241 -4.2241 -4.2235 -4.2235 2.5591 2.5591 2.5648 2.5648 3.0931 3.0931 3.0995 3.0995 k = 0.3393 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9074 -25.9074 -25.9074 -25.9074 -25.8899 -25.8899 -25.8899 -25.8899 -9.6124 -9.6124 -9.6115 -9.6115 -9.5647 -9.5647 -9.5642 -9.5642 -8.1314 -8.1314 -8.1271 -8.1271 -8.0136 -8.0136 -8.0109 -8.0109 -7.8942 -7.8942 -7.8891 -7.8891 -7.8346 -7.8346 -7.8309 -7.8309 -4.5984 -4.5984 -4.5980 -4.5980 -4.2342 -4.2342 -4.2336 -4.2336 2.5697 2.5697 2.5751 2.5751 3.0852 3.0852 3.0913 3.0913 k = 0.3571 0.5000-0.0000 ( 6544 PWs) bands (ev): -25.9071 -25.9071 -25.9071 -25.9071 -25.8902 -25.8902 -25.8902 -25.8902 -9.6120 -9.6120 -9.6111 -9.6111 -9.5657 -9.5657 -9.5653 -9.5653 -8.1318 -8.1318 -8.1279 -8.1279 -8.0150 -8.0150 -8.0126 -8.0126 -7.8934 -7.8934 -7.8888 -7.8888 -7.8329 -7.8329 -7.8297 -7.8297 -4.5882 -4.5882 -4.5878 -4.5878 -4.2442 -4.2442 -4.2437 -4.2437 2.5798 2.5798 2.5848 2.5848 3.0778 3.0778 3.0835 3.0835 k = 0.3750 0.5000-0.0000 ( 6536 PWs) bands (ev): -25.9068 -25.9068 -25.9068 -25.9068 -25.8904 -25.8904 -25.8904 -25.8904 -9.6115 -9.6115 -9.6107 -9.6107 -9.5667 -9.5667 -9.5663 -9.5663 -8.1321 -8.1321 -8.1287 -8.1287 -8.0162 -8.0162 -8.0141 -8.0141 -7.8926 -7.8926 -7.8886 -7.8886 -7.8314 -7.8314 -7.8286 -7.8286 -4.5783 -4.5783 -4.5779 -4.5779 -4.2539 -4.2539 -4.2534 -4.2534 2.5892 2.5892 2.5939 2.5939 3.0710 3.0710 3.0763 3.0763 k = 0.3929 0.5000-0.0000 ( 6534 PWs) bands (ev): -25.9065 -25.9065 -25.9065 -25.9065 -25.8907 -25.8907 -25.8907 -25.8907 -9.6110 -9.6110 -9.6103 -9.6103 -9.5675 -9.5675 -9.5672 -9.5672 -8.1323 -8.1323 -8.1294 -8.1294 -8.0173 -8.0173 -8.0155 -8.0155 -7.8918 -7.8918 -7.8884 -7.8884 -7.8300 -7.8300 -7.8276 -7.8276 -4.5689 -4.5689 -4.5685 -4.5685 -4.2631 -4.2631 -4.2626 -4.2626 2.5978 2.5978 2.6020 2.6020 3.0650 3.0650 3.0697 3.0697 k = 0.4107 0.5000-0.0000 ( 6536 PWs) bands (ev): -25.9063 -25.9063 -25.9063 -25.9063 -25.8909 -25.8909 -25.8909 -25.8909 -9.6106 -9.6106 -9.6100 -9.6100 -9.5683 -9.5683 -9.5680 -9.5680 -8.1325 -8.1325 -8.1300 -8.1300 -8.0182 -8.0182 -8.0167 -8.0167 -7.8911 -7.8911 -7.8883 -7.8883 -7.8288 -7.8288 -7.8268 -7.8268 -4.5603 -4.5603 -4.5599 -4.5599 -4.2716 -4.2716 -4.2711 -4.2711 2.6055 2.6055 2.6091 2.6091 3.0597 3.0597 3.0638 3.0638 k = 0.4286 0.5000-0.0000 ( 6534 PWs) bands (ev): -25.9061 -25.9061 -25.9061 -25.9061 -25.8911 -25.8911 -25.8911 -25.8911 -9.6103 -9.6103 -9.6098 -9.6098 -9.5689 -9.5689 -9.5687 -9.5687 -8.1326 -8.1326 -8.1306 -8.1306 -8.0189 -8.0189 -8.0177 -8.0177 -7.8905 -7.8905 -7.8882 -7.8882 -7.8278 -7.8278 -7.8262 -7.8262 -4.5526 -4.5526 -4.5523 -4.5523 -4.2790 -4.2790 -4.2787 -4.2787 2.6121 2.6121 2.6151 2.6151 3.0554 3.0554 3.0588 3.0588 k = 0.4464 0.5000-0.0000 ( 6534 PWs) bands (ev): -25.9060 -25.9060 -25.9060 -25.9060 -25.8913 -25.8913 -25.8913 -25.8913 -9.6099 -9.6099 -9.6096 -9.6096 -9.5695 -9.5695 -9.5692 -9.5692 -8.1326 -8.1326 -8.1311 -8.1311 -8.0195 -8.0195 -8.0186 -8.0186 -7.8899 -7.8899 -7.8882 -7.8882 -7.8269 -7.8269 -7.8257 -7.8257 -4.5462 -4.5462 -4.5460 -4.5460 -4.2852 -4.2852 -4.2849 -4.2849 2.6174 2.6174 2.6198 2.6198 3.0520 3.0520 3.0546 3.0546 k = 0.4643 0.5000-0.0000 ( 6526 PWs) bands (ev): -25.9058 -25.9058 -25.9058 -25.9058 -25.8914 -25.8914 -25.8914 -25.8914 -9.6097 -9.6097 -9.6094 -9.6094 -9.5698 -9.5698 -9.5697 -9.5697 -8.1325 -8.1325 -8.1315 -8.1315 -8.0198 -8.0198 -8.0192 -8.0192 -7.8894 -7.8894 -7.8883 -7.8883 -7.8263 -7.8263 -7.8255 -7.8255 -4.5414 -4.5414 -4.5413 -4.5413 -4.2899 -4.2899 -4.2897 -4.2897 2.6215 2.6215 2.6230 2.6230 3.0497 3.0497 3.0515 3.0515 k = 0.4821 0.5000-0.0000 ( 6526 PWs) bands (ev): -25.9058 -25.9058 -25.9058 -25.9058 -25.8915 -25.8915 -25.8915 -25.8915 -9.6095 -9.6095 -9.6094 -9.6094 -9.5700 -9.5700 -9.5699 -9.5699 -8.1324 -8.1324 -8.1319 -8.1319 -8.0200 -8.0200 -8.0197 -8.0197 -7.8890 -7.8890 -7.8885 -7.8885 -7.8258 -7.8258 -7.8254 -7.8254 -4.5384 -4.5384 -4.5383 -4.5383 -4.2928 -4.2928 -4.2927 -4.2927 2.6241 2.6241 2.6249 2.6249 3.0485 3.0485 3.0494 3.0494 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -25.9057 -25.9057 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6094 -9.6094 -9.6094 -9.6094 -9.5701 -9.5701 -9.5701 -9.5701 -8.1322 -8.1322 -8.1322 -8.1322 -8.0200 -8.0200 -8.0200 -8.0200 -7.8887 -7.8887 -7.8887 -7.8887 -7.8255 -7.8255 -7.8255 -7.8255 -4.5374 -4.5374 -4.5374 -4.5374 -4.2937 -4.2937 -4.2937 -4.2937 2.6252 2.6252 2.6252 2.6252 3.0484 3.0484 3.0484 3.0484 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -25.9057 -25.9057 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6094 -9.6094 -9.6094 -9.6094 -9.5701 -9.5701 -9.5701 -9.5701 -8.1322 -8.1322 -8.1322 -8.1322 -8.0200 -8.0200 -8.0200 -8.0200 -7.8887 -7.8887 -7.8887 -7.8887 -7.8255 -7.8255 -7.8255 -7.8255 -4.5374 -4.5374 -4.5374 -4.5374 -4.2937 -4.2937 -4.2937 -4.2937 2.6252 2.6252 2.6252 2.6252 3.0484 3.0484 3.0484 3.0484 k = 0.4875 0.4875-0.0000 ( 6526 PWs) bands (ev): -25.9058 -25.9058 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6096 -9.6095 -9.6094 -9.6093 -9.5701 -9.5701 -9.5699 -9.5698 -8.1326 -8.1324 -8.1319 -8.1317 -8.0203 -8.0200 -8.0195 -8.0194 -7.8893 -7.8891 -7.8886 -7.8883 -7.8260 -7.8259 -7.8252 -7.8250 -4.5398 -4.5398 -4.5369 -4.5369 -4.2935 -4.2934 -4.2921 -4.2920 2.6232 2.6238 2.6252 2.6253 3.0483 3.0485 3.0499 3.0505 k = 0.4750 0.4750-0.0000 ( 6520 PWs) bands (ev): -25.9060 -25.9060 -25.9056 -25.9056 -25.8915 -25.8915 -25.8913 -25.8913 -9.6099 -9.6097 -9.6093 -9.6093 -9.5702 -9.5701 -9.5693 -9.5692 -8.1331 -8.1326 -8.1317 -8.1312 -8.0205 -8.0196 -8.0187 -8.0185 -7.8903 -7.8897 -7.8888 -7.8881 -7.8269 -7.8263 -7.8250 -7.8244 -4.5468 -4.5468 -4.5356 -4.5356 -4.2926 -4.2926 -4.2872 -4.2872 2.6180 2.6191 2.6251 2.6252 3.0484 3.0489 3.0547 3.0559 k = 0.4625 0.4625-0.0000 ( 6548 PWs) bands (ev): -25.9063 -25.9063 -25.9056 -25.9056 -25.8915 -25.8915 -25.8911 -25.8911 -9.6104 -9.6101 -9.6093 -9.6092 -9.5705 -9.5703 -9.5684 -9.5683 -8.1335 -8.1327 -8.1314 -8.1306 -8.0205 -8.0189 -8.0176 -8.0170 -7.8916 -7.8904 -7.8894 -7.8879 -7.8281 -7.8268 -7.8249 -7.8238 -4.5580 -4.5579 -4.5334 -4.5334 -4.2913 -4.2913 -4.2798 -4.2798 2.6099 2.6113 2.6249 2.6251 3.0487 3.0495 3.0626 3.0643 k = 0.4500 0.4500-0.0000 ( 6542 PWs) bands (ev): -25.9068 -25.9068 -25.9054 -25.9054 -25.8914 -25.8914 -25.8909 -25.8909 -9.6111 -9.6107 -9.6091 -9.6090 -9.5708 -9.5706 -9.5671 -9.5670 -8.1338 -8.1329 -8.1311 -8.1300 -8.0203 -8.0180 -8.0161 -8.0151 -7.8933 -7.8914 -7.8903 -7.8879 -7.8295 -7.8276 -7.8247 -7.8230 -4.5725 -4.5725 -4.5304 -4.5304 -4.2894 -4.2894 -4.2704 -4.2704 2.5992 2.6011 2.6246 2.6248 3.0491 3.0502 3.0732 3.0754 k = 0.4375 0.4375-0.0000 ( 6538 PWs) bands (ev): -25.9073 -25.9073 -25.9053 -25.9053 -25.8914 -25.8914 -25.8906 -25.8906 -9.6118 -9.6114 -9.6090 -9.6088 -9.5711 -9.5709 -9.5656 -9.5654 -8.1342 -8.1329 -8.1307 -8.1294 -8.0200 -8.0169 -8.0141 -8.0127 -7.8953 -7.8928 -7.8912 -7.8879 -7.8312 -7.8286 -7.8243 -7.8221 -4.5898 -4.5898 -4.5265 -4.5265 -4.2871 -4.2870 -4.2597 -4.2596 2.5865 2.5887 2.6242 2.6245 3.0497 3.0510 3.0858 3.0884 k = 0.4250 0.4250-0.0000 ( 6540 PWs) bands (ev): -25.9079 -25.9079 -25.9051 -25.9051 -25.8913 -25.8913 -25.8902 -25.8902 -9.6126 -9.6122 -9.6088 -9.6087 -9.5716 -9.5712 -9.5638 -9.5635 -8.1345 -8.1330 -8.1304 -8.1288 -8.0197 -8.0157 -8.0116 -8.0099 -7.8976 -7.8945 -7.8922 -7.8881 -7.8332 -7.8298 -7.8238 -7.8212 -4.6094 -4.6093 -4.5218 -4.5218 -4.2842 -4.2841 -4.2482 -4.2481 2.5723 2.5747 2.6238 2.6241 3.0505 3.0520 3.1001 3.1030 k = 0.4125 0.4125-0.0000 ( 6552 PWs) bands (ev): -25.9086 -25.9086 -25.9048 -25.9048 -25.8912 -25.8912 -25.8898 -25.8898 -9.6135 -9.6130 -9.6087 -9.6085 -9.5721 -9.5717 -9.5617 -9.5615 -8.1347 -8.1329 -8.1300 -8.1282 -8.0192 -8.0146 -8.0087 -8.0066 -7.9002 -7.8966 -7.8933 -7.8884 -7.8353 -7.8313 -7.8232 -7.8202 -4.6306 -4.6306 -4.5164 -4.5163 -4.2809 -4.2808 -4.2363 -4.2362 2.5569 2.5596 2.6232 2.6236 3.0513 3.0531 3.1153 3.1186 k = 0.4000 0.4000-0.0000 ( 6552 PWs) bands (ev): -25.9094 -25.9094 -25.9045 -25.9045 -25.8912 -25.8912 -25.8895 -25.8895 -9.6144 -9.6138 -9.6085 -9.6082 -9.5727 -9.5722 -9.5595 -9.5593 -8.1349 -8.1328 -8.1296 -8.1275 -8.0187 -8.0133 -8.0052 -8.0029 -7.9029 -7.8990 -7.8946 -7.8888 -7.8375 -7.8328 -7.8225 -7.8191 -4.6533 -4.6533 -4.5101 -4.5100 -4.2772 -4.2771 -4.2243 -4.2242 2.5409 2.5438 2.6225 2.6230 3.0522 3.0543 3.1312 3.1348 k = 0.3875 0.3875-0.0000 ( 6550 PWs) bands (ev): -25.9102 -25.9102 -25.9042 -25.9042 -25.8911 -25.8911 -25.8891 -25.8891 -9.6154 -9.6147 -9.6083 -9.6080 -9.5733 -9.5729 -9.5571 -9.5569 -8.1350 -8.1327 -8.1291 -8.1268 -8.0183 -8.0121 -8.0013 -7.9988 -7.9059 -7.9016 -7.8959 -7.8894 -7.8397 -7.8343 -7.8217 -7.8180 -4.6771 -4.6771 -4.5031 -4.5030 -4.2731 -4.2730 -4.2125 -4.2124 2.5245 2.5276 2.6217 2.6222 3.0532 3.0555 3.1473 3.1511 k = 0.3750 0.3750-0.0000 ( 6540 PWs) bands (ev): -25.9110 -25.9110 -25.9039 -25.9039 -25.8910 -25.8910 -25.8887 -25.8887 -9.6163 -9.6155 -9.6081 -9.6078 -9.5741 -9.5735 -9.5546 -9.5544 -8.1350 -8.1324 -8.1286 -8.1261 -8.0178 -8.0110 -7.9969 -7.9943 -7.9090 -7.9045 -7.8973 -7.8901 -7.8418 -7.8359 -7.8209 -7.8169 -4.7019 -4.7018 -4.4954 -4.4953 -4.2687 -4.2686 -4.2010 -4.2009 2.5081 2.5112 2.6207 2.6213 3.0541 3.0568 3.1633 3.1673 k = 0.3625 0.3625-0.0000 ( 6554 PWs) bands (ev): -25.9119 -25.9119 -25.9035 -25.9035 -25.8909 -25.8909 -25.8883 -25.8883 -9.6171 -9.6164 -9.6079 -9.6076 -9.5749 -9.5743 -9.5520 -9.5518 -8.1350 -8.1321 -8.1281 -8.1254 -8.0175 -8.0099 -7.9921 -7.9894 -7.9121 -7.9075 -7.8989 -7.8911 -7.8439 -7.8373 -7.8200 -7.8157 -4.7273 -4.7273 -4.4871 -4.4870 -4.2640 -4.2638 -4.1900 -4.1899 2.4918 2.4950 2.6195 2.6202 3.0551 3.0580 3.1788 3.1830 k = 0.3500 0.3500-0.0000 ( 6548 PWs) bands (ev): -25.9128 -25.9128 -25.9031 -25.9031 -25.8907 -25.8907 -25.8879 -25.8879 -9.6180 -9.6172 -9.6077 -9.6074 -9.5758 -9.5751 -9.5493 -9.5491 -8.1349 -8.1317 -8.1275 -8.1247 -8.0174 -8.0090 -7.9869 -7.9841 -7.9153 -7.9105 -7.9006 -7.8922 -7.8457 -7.8387 -7.8191 -7.8146 -4.7534 -4.7533 -4.4781 -4.4780 -4.2590 -4.2589 -4.1795 -4.1794 2.4759 2.4792 2.6182 2.6189 3.0559 3.0591 3.1937 3.1980 k = 0.3375 0.3375-0.0000 ( 6544 PWs) bands (ev): -25.9137 -25.9137 -25.9027 -25.9027 -25.8906 -25.8906 -25.8876 -25.8876 -9.6188 -9.6179 -9.6076 -9.6073 -9.5767 -9.5761 -9.5466 -9.5464 -8.1348 -8.1312 -8.1269 -8.1240 -8.0174 -8.0084 -7.9813 -7.9785 -7.9184 -7.9136 -7.9024 -7.8936 -7.8473 -7.8398 -7.8181 -7.8134 -4.7798 -4.7798 -4.4686 -4.4684 -4.2538 -4.2537 -4.1697 -4.1696 2.4605 2.4640 2.6167 2.6175 3.0565 3.0600 3.2078 3.2122 k = 0.3250 0.3250-0.0000 ( 6540 PWs) bands (ev): -25.9147 -25.9147 -25.9022 -25.9022 -25.8905 -25.8905 -25.8872 -25.8872 -9.6195 -9.6186 -9.6075 -9.6072 -9.5777 -9.5770 -9.5438 -9.5436 -8.1346 -8.1307 -8.1263 -8.1233 -8.0178 -8.0080 -7.9755 -7.9726 -7.9214 -7.9165 -7.9043 -7.8952 -7.8485 -7.8407 -7.8172 -7.8123 -4.8066 -4.8066 -4.4585 -4.4584 -4.2485 -4.2483 -4.1605 -4.1604 2.4459 2.4494 2.6150 2.6158 3.0568 3.0606 3.2211 3.2255 k = 0.3125 0.3125-0.0000 ( 6546 PWs) bands (ev): -25.9156 -25.9156 -25.9017 -25.9017 -25.8904 -25.8904 -25.8869 -25.8869 -9.6202 -9.6193 -9.6075 -9.6071 -9.5789 -9.5781 -9.5410 -9.5408 -8.1344 -8.1300 -8.1257 -8.1226 -8.0185 -8.0080 -7.9694 -7.9664 -7.9241 -7.9193 -7.9062 -7.8970 -7.8493 -7.8413 -7.8163 -7.8111 -4.8336 -4.8336 -4.4480 -4.4478 -4.2431 -4.2429 -4.1520 -4.1519 2.4321 2.4357 2.6131 2.6140 3.0566 3.0607 3.2333 3.2377 k = 0.3000 0.3000-0.0000 ( 6544 PWs) bands (ev): -25.9165 -25.9165 -25.9012 -25.9012 -25.8902 -25.8902 -25.8866 -25.8866 -9.6209 -9.6199 -9.6074 -9.6071 -9.5800 -9.5792 -9.5382 -9.5381 -8.1341 -8.1293 -8.1249 -8.1219 -8.0195 -8.0084 -7.9632 -7.9600 -7.9264 -7.9218 -7.9082 -7.8990 -7.8498 -7.8416 -7.8153 -7.8100 -4.8607 -4.8607 -4.4370 -4.4368 -4.2376 -4.2374 -4.1442 -4.1441 2.4193 2.4230 2.6110 2.6119 3.0557 3.0601 3.2446 3.2490 k = 0.2875 0.2875-0.0000 ( 6554 PWs) bands (ev): -25.9175 -25.9175 -25.9007 -25.9007 -25.8901 -25.8901 -25.8864 -25.8864 -9.6214 -9.6205 -9.6075 -9.6071 -9.5813 -9.5804 -9.5355 -9.5353 -8.1338 -8.1285 -8.1242 -8.1212 -8.0210 -8.0093 -7.9571 -7.9534 -7.9280 -7.9239 -7.9102 -7.9010 -7.8499 -7.8416 -7.8144 -7.8089 -4.8878 -4.8878 -4.4257 -4.4254 -4.2321 -4.2319 -4.1372 -4.1371 2.4076 2.4113 2.6086 2.6097 3.0538 3.0586 3.2549 3.2592 k = 0.2750 0.2750-0.0000 ( 6564 PWs) bands (ev): -25.9184 -25.9184 -25.9002 -25.9002 -25.8900 -25.8900 -25.8862 -25.8862 -9.6220 -9.6210 -9.6076 -9.6072 -9.5826 -9.5817 -9.5327 -9.5326 -8.1335 -8.1277 -8.1234 -8.1205 -8.0230 -8.0108 -7.9515 -7.9471 -7.9288 -7.9251 -7.9122 -7.9030 -7.8496 -7.8413 -7.8136 -7.8078 -4.9148 -4.9148 -4.4140 -4.4137 -4.2266 -4.2264 -4.1309 -4.1308 2.3971 2.4008 2.6061 2.6072 3.0506 3.0556 3.2643 3.2684 k = 0.2625 0.2625-0.0000 ( 6560 PWs) bands (ev): -25.9193 -25.9193 -25.8996 -25.8996 -25.8898 -25.8898 -25.8859 -25.8859 -9.6224 -9.6214 -9.6077 -9.6073 -9.5839 -9.5830 -9.5301 -9.5299 -8.1331 -8.1268 -8.1225 -8.1197 -8.0254 -8.0129 -7.9472 -7.9413 -7.9284 -7.9247 -7.9140 -7.9049 -7.8490 -7.8407 -7.8127 -7.8068 -4.9416 -4.9416 -4.4020 -4.4018 -4.2212 -4.2210 -4.1254 -4.1252 2.3878 2.3916 2.6034 2.6045 3.0457 3.0509 3.2727 3.2767 k = 0.2500 0.2500-0.0000 ( 6568 PWs) bands (ev): -25.9202 -25.9202 -25.8991 -25.8991 -25.8897 -25.8897 -25.8858 -25.8858 -9.6228 -9.6218 -9.6079 -9.6075 -9.5853 -9.5843 -9.5274 -9.5273 -8.1328 -8.1260 -8.1216 -8.1190 -8.0282 -8.0156 -7.9447 -7.9374 -7.9265 -7.9217 -7.9154 -7.9063 -7.8481 -7.8398 -7.8119 -7.8058 -4.9681 -4.9681 -4.3898 -4.3895 -4.2159 -4.2157 -4.1206 -4.1204 2.3799 2.3837 2.6005 2.6017 3.0386 3.0440 3.2800 3.2838 k = 0.2375 0.2375-0.0000 ( 6556 PWs) bands (ev): -25.9211 -25.9211 -25.8985 -25.8985 -25.8896 -25.8896 -25.8856 -25.8856 -9.6232 -9.6221 -9.6082 -9.6078 -9.5868 -9.5858 -9.5249 -9.5248 -8.1325 -8.1252 -8.1207 -8.1181 -8.0315 -8.0188 -7.9435 -7.9361 -7.9232 -7.9190 -7.9140 -7.9066 -7.8470 -7.8387 -7.8112 -7.8048 -4.9942 -4.9942 -4.3773 -4.3771 -4.2108 -4.2106 -4.1165 -4.1163 2.3734 2.3773 2.5975 2.5987 3.0289 3.0344 3.2858 3.2897 k = 0.2250 0.2250-0.0000 ( 6564 PWs) bands (ev): -25.9220 -25.9220 -25.8979 -25.8979 -25.8895 -25.8895 -25.8855 -25.8855 -9.6234 -9.6223 -9.6085 -9.6081 -9.5883 -9.5872 -9.5224 -9.5223 -8.1321 -8.1243 -8.1196 -8.1172 -8.0352 -8.0225 -7.9429 -7.9359 -7.9218 -7.9187 -7.9079 -7.9044 -7.8456 -7.8373 -7.8104 -7.8039 -5.0198 -5.0198 -4.3648 -4.3645 -4.2058 -4.2057 -4.1132 -4.1130 2.3683 2.3723 2.5944 2.5956 3.0163 3.0219 3.2892 3.2938 k = 0.2125 0.2125-0.0000 ( 6568 PWs) bands (ev): -25.9228 -25.9228 -25.8973 -25.8973 -25.8893 -25.8893 -25.8854 -25.8854 -9.6236 -9.6225 -9.6088 -9.6085 -9.5898 -9.5887 -9.5200 -9.5199 -8.1318 -8.1236 -8.1186 -8.1163 -8.0392 -8.0267 -7.9425 -7.9360 -7.9227 -7.9189 -7.9007 -7.8993 -7.8440 -7.8357 -7.8098 -7.8031 -5.0448 -5.0447 -4.3522 -4.3519 -4.2011 -4.2009 -4.1105 -4.1103 2.3648 2.3688 2.5912 2.5924 3.0006 3.0062 3.2898 3.2951 k = 0.2000 0.2000-0.0000 ( 6565 PWs) bands (ev): -25.9236 -25.9236 -25.8967 -25.8967 -25.8892 -25.8892 -25.8853 -25.8853 -9.6238 -9.6226 -9.6092 -9.6088 -9.5914 -9.5903 -9.5177 -9.5177 -8.1314 -8.1229 -8.1175 -8.1153 -8.0435 -8.0311 -7.9421 -7.9361 -7.9240 -7.9199 -7.8930 -7.8925 -7.8421 -7.8338 -7.8092 -7.8023 -5.0691 -5.0690 -4.3395 -4.3392 -4.1966 -4.1964 -4.1086 -4.1084 2.3628 2.3669 2.5879 2.5891 2.9820 2.9875 3.2893 3.2946 k = 0.1875 0.1875-0.0000 ( 6573 PWs) bands (ev): -25.9244 -25.9244 -25.8961 -25.8961 -25.8891 -25.8891 -25.8853 -25.8853 -9.6238 -9.6226 -9.6096 -9.6093 -9.5930 -9.5919 -9.5156 -9.5155 -8.1310 -8.1221 -8.1163 -8.1142 -8.0479 -8.0359 -7.9416 -7.9362 -7.9253 -7.9212 -7.8852 -7.8850 -7.8401 -7.8319 -7.8086 -7.8015 -5.0925 -5.0925 -4.3268 -4.3265 -4.1924 -4.1922 -4.1074 -4.1072 2.3625 2.3666 2.5846 2.5858 2.9607 2.9660 3.2896 3.2944 k = 0.1750 0.1750-0.0000 ( 6581 PWs) bands (ev): -25.9251 -25.9251 -25.8955 -25.8955 -25.8890 -25.8890 -25.8853 -25.8853 -9.6238 -9.6226 -9.6101 -9.6097 -9.5947 -9.5934 -9.5135 -9.5135 -8.1306 -8.1215 -8.1152 -8.1131 -8.0525 -8.0408 -7.9411 -7.9361 -7.9266 -7.9227 -7.8776 -7.8772 -7.8380 -7.8298 -7.8081 -7.8008 -5.1151 -5.1151 -4.3142 -4.3139 -4.1885 -4.1883 -4.1068 -4.1066 2.3637 2.3679 2.5813 2.5825 2.9371 2.9423 3.2915 3.2956 k = 0.1625 0.1625-0.0000 ( 6583 PWs) bands (ev): -25.9258 -25.9258 -25.8949 -25.8949 -25.8889 -25.8889 -25.8853 -25.8853 -9.6237 -9.6225 -9.6106 -9.6102 -9.5963 -9.5951 -9.5116 -9.5115 -8.1302 -8.1207 -8.1141 -8.1120 -8.0572 -8.0458 -7.9405 -7.9359 -7.9278 -7.9241 -7.8701 -7.8695 -7.8357 -7.8276 -7.8077 -7.8003 -5.1367 -5.1367 -4.3016 -4.3013 -4.1848 -4.1846 -4.1069 -4.1067 2.3667 2.3709 2.5781 2.5792 2.9116 2.9166 3.2949 3.2986 k = 0.1500 0.1500-0.0000 ( 6581 PWs) bands (ev): -25.9265 -25.9265 -25.8943 -25.8943 -25.8888 -25.8888 -25.8854 -25.8854 -9.6236 -9.6224 -9.6111 -9.6107 -9.5980 -9.5967 -9.5098 -9.5097 -8.1296 -8.1200 -8.1130 -8.1109 -8.0618 -8.0508 -7.9398 -7.9357 -7.9288 -7.9254 -7.8628 -7.8620 -7.8332 -7.8253 -7.8073 -7.7997 -5.1572 -5.1571 -4.2892 -4.2889 -4.1814 -4.1813 -4.1076 -4.1074 2.3713 2.3755 2.5750 2.5760 2.8846 2.8896 3.2998 3.3029 k = 0.1375 0.1375-0.0000 ( 6583 PWs) bands (ev): -25.9271 -25.9271 -25.8938 -25.8938 -25.8887 -25.8887 -25.8854 -25.8854 -9.6234 -9.6221 -9.6116 -9.6112 -9.5996 -9.5983 -9.5081 -9.5081 -8.1290 -8.1192 -8.1120 -8.1098 -8.0665 -8.0558 -7.9392 -7.9354 -7.9298 -7.9267 -7.8559 -7.8547 -7.8306 -7.8230 -7.8069 -7.7993 -5.1764 -5.1764 -4.2770 -4.2767 -4.1784 -4.1782 -4.1090 -4.1088 2.3776 2.3818 2.5720 2.5730 2.8566 2.8615 3.3058 3.3085 k = 0.1250 0.1250-0.0000 ( 6575 PWs) bands (ev): -25.9276 -25.9276 -25.8932 -25.8932 -25.8886 -25.8886 -25.8855 -25.8855 -9.6231 -9.6218 -9.6121 -9.6117 -9.6012 -9.5999 -9.5066 -9.5065 -8.1283 -8.1182 -8.1111 -8.1087 -8.0710 -8.0607 -7.9385 -7.9352 -7.9306 -7.9278 -7.8494 -7.8479 -7.8278 -7.8206 -7.8066 -7.7990 -5.1944 -5.1944 -4.2649 -4.2646 -4.1756 -4.1755 -4.1110 -4.1107 2.3855 2.3898 2.5691 2.5701 2.8279 2.8327 3.3127 3.3149 k = 0.1125 0.1125-0.0000 ( 6579 PWs) bands (ev): -25.9282 -25.9282 -25.8926 -25.8926 -25.8885 -25.8885 -25.8857 -25.8857 -9.6227 -9.6214 -9.6125 -9.6122 -9.6029 -9.6015 -9.5052 -9.5051 -8.1275 -8.1172 -8.1102 -8.1076 -8.0754 -8.0655 -7.9379 -7.9349 -7.9314 -7.9289 -7.8436 -7.8415 -7.8248 -7.8183 -7.8063 -7.7987 -5.2110 -5.2110 -4.2532 -4.2528 -4.1731 -4.1730 -4.1136 -4.1134 2.3951 2.3995 2.5664 2.5673 2.7988 2.8035 3.3201 3.3218 k = 0.1000 0.1000-0.0000 ( 6555 PWs) bands (ev): -25.9286 -25.9286 -25.8920 -25.8920 -25.8884 -25.8884 -25.8858 -25.8858 -9.6222 -9.6209 -9.6130 -9.6127 -9.6045 -9.6030 -9.5039 -9.5039 -8.1265 -8.1161 -8.1095 -8.1066 -8.0796 -8.0702 -7.9373 -7.9346 -7.9320 -7.9298 -7.8385 -7.8358 -7.8217 -7.8161 -7.8060 -7.7986 -5.2261 -5.2260 -4.2416 -4.2413 -4.1709 -4.1708 -4.1168 -4.1166 2.4064 2.4108 2.5639 2.5648 2.7695 2.7742 3.3279 3.3289 k = 0.0875 0.0875-0.0000 ( 6559 PWs) bands (ev): -25.9291 -25.9290 -25.8915 -25.8915 -25.8884 -25.8884 -25.8860 -25.8860 -9.6217 -9.6204 -9.6134 -9.6131 -9.6060 -9.6046 -9.5028 -9.5028 -8.1254 -8.1148 -8.1090 -8.1056 -8.0836 -8.0747 -7.9367 -7.9344 -7.9325 -7.9306 -7.8342 -7.8307 -7.8183 -7.8139 -7.8057 -7.7986 -5.2396 -5.2396 -4.2305 -4.2301 -4.1691 -4.1690 -4.1207 -4.1204 2.4193 2.4238 2.5617 2.5625 2.7403 2.7450 3.3356 3.3360 k = 0.0750 0.0750-0.0000 ( 6563 PWs) bands (ev): -25.9294 -25.9294 -25.8910 -25.8910 -25.8883 -25.8883 -25.8863 -25.8863 -9.6210 -9.6198 -9.6138 -9.6135 -9.6076 -9.6061 -9.5018 -9.5018 -8.1242 -8.1133 -8.1086 -8.1047 -8.0873 -8.0790 -7.9361 -7.9342 -7.9330 -7.9314 -7.8306 -7.8265 -7.8149 -7.8118 -7.8053 -7.7987 -5.2515 -5.2515 -4.2196 -4.2193 -4.1675 -4.1674 -4.1251 -4.1248 2.4338 2.4383 2.5597 2.5604 2.7114 2.7161 3.3427 3.3432 k = 0.0625 0.0625-0.0000 ( 6569 PWs) bands (ev): -25.9297 -25.9297 -25.8904 -25.8904 -25.8883 -25.8883 -25.8865 -25.8865 -9.6203 -9.6191 -9.6142 -9.6138 -9.6090 -9.6075 -9.5010 -9.5010 -8.1228 -8.1117 -8.1085 -8.1039 -8.0907 -8.0831 -7.9356 -7.9340 -7.9333 -7.9320 -7.8277 -7.8232 -7.8116 -7.8098 -7.8047 -7.7989 -5.2617 -5.2617 -4.2091 -4.2088 -4.1661 -4.1661 -4.1301 -4.1297 2.4499 2.4545 2.5580 2.5587 2.6830 2.6876 3.3488 3.3502 k = 0.0500 0.0500-0.0000 ( 6579 PWs) bands (ev): -25.9300 -25.9300 -25.8900 -25.8900 -25.8883 -25.8883 -25.8868 -25.8868 -9.6196 -9.6184 -9.6145 -9.6141 -9.6105 -9.6089 -9.5003 -9.5003 -8.1213 -8.1101 -8.1085 -8.1031 -8.0936 -8.0870 -7.9352 -7.9340 -7.9335 -7.9325 -7.8252 -7.8208 -7.8087 -7.8079 -7.8040 -7.7993 -5.2701 -5.2701 -4.1991 -4.1987 -4.1651 -4.1650 -4.1356 -4.1353 2.4675 2.4721 2.5566 2.5572 2.6551 2.6596 3.3539 3.3565 k = 0.0375 0.0375-0.0000 ( 6589 PWs) bands (ev): -25.9302 -25.9302 -25.8895 -25.8895 -25.8882 -25.8882 -25.8871 -25.8871 -9.6187 -9.6176 -9.6148 -9.6142 -9.6119 -9.6102 -9.4998 -9.4998 -8.1196 -8.1098 -8.1075 -8.1024 -8.0960 -8.0906 -7.9348 -7.9340 -7.9337 -7.9330 -7.8232 -7.8194 -7.8063 -7.8062 -7.8033 -7.7998 -5.2767 -5.2767 -4.1895 -4.1891 -4.1642 -4.1642 -4.1418 -4.1414 2.4865 2.4912 2.5555 2.5561 2.6280 2.6325 3.3581 3.3618 k = 0.0250 0.0250-0.0000 ( 6615 PWs) bands (ev): -25.9304 -25.9304 -25.8891 -25.8891 -25.8882 -25.8882 -25.8875 -25.8875 -9.6178 -9.6168 -9.6151 -9.6142 -9.6132 -9.6115 -9.4994 -9.4994 -8.1179 -8.1108 -8.1054 -8.1017 -8.0979 -8.0941 -7.9345 -7.9340 -7.9337 -7.9334 -7.8216 -7.8188 -7.8048 -7.8043 -7.8026 -7.8005 -5.2815 -5.2815 -4.1803 -4.1799 -4.1637 -4.1636 -4.1484 -4.1481 2.5069 2.5117 2.5546 2.5553 2.6018 2.6062 3.3612 3.3653 k = 0.0125 0.0125-0.0000 ( 6619 PWs) bands (ev): -25.9304 -25.9304 -25.8886 -25.8886 -25.8882 -25.8882 -25.8878 -25.8878 -9.6167 -9.6161 -9.6153 -9.6145 -9.6140 -9.6126 -9.4992 -9.4992 -8.1160 -8.1123 -8.1029 -8.1010 -8.0992 -8.0973 -7.9342 -7.9340 -7.9338 -7.9337 -7.8203 -7.8188 -7.8035 -7.8030 -7.8022 -7.8014 -5.2844 -5.2844 -4.1716 -4.1712 -4.1633 -4.1633 -4.1556 -4.1553 2.5285 2.5335 2.5539 2.5549 2.5767 2.5808 3.3634 3.3659 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -25.9305 -25.9305 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -9.6156 -9.6156 -9.6156 -9.6156 -9.6135 -9.6135 -9.4991 -9.4991 -8.1141 -8.1141 -8.1002 -8.1002 -8.1002 -8.1002 -7.9339 -7.9339 -7.9339 -7.9339 -7.8193 -7.8193 -7.8024 -7.8024 -7.8024 -7.8024 -5.2853 -5.2853 -4.1634 -4.1634 -4.1634 -4.1634 -4.1628 -4.1628 2.5497 2.5497 2.5566 2.5566 2.5566 2.5566 3.3649 3.3649 k = 0.0000 0.0000 0.0000 ( 6619 PWs) bands (ev): -25.9305 -25.9305 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -25.8882 -9.6156 -9.6156 -9.6156 -9.6156 -9.6135 -9.6135 -9.4991 -9.4991 -8.1141 -8.1141 -8.1002 -8.1002 -8.1002 -8.1002 -7.9339 -7.9339 -7.9339 -7.9339 -7.8193 -7.8193 -7.8024 -7.8024 -7.8024 -7.8024 -5.2853 -5.2853 -4.1634 -4.1634 -4.1634 -4.1634 -4.1628 -4.1628 2.5497 2.5497 2.5566 2.5566 2.5566 2.5566 3.3649 3.3649 k = 0.0102 0.0102 0.0102 ( 6619 PWs) bands (ev): -25.9304 -25.9304 -25.8886 -25.8886 -25.8882 -25.8882 -25.8878 -25.8878 -9.6167 -9.6161 -9.6153 -9.6145 -9.6140 -9.6126 -9.4992 -9.4992 -8.1160 -8.1124 -8.1029 -8.1009 -8.0993 -8.0972 -7.9342 -7.9340 -7.9338 -7.9337 -7.8203 -7.8188 -7.8035 -7.8031 -7.8022 -7.8014 -5.2844 -5.2844 -4.1715 -4.1712 -4.1634 -4.1633 -4.1556 -4.1553 2.5285 2.5334 2.5539 2.5550 2.5766 2.5808 3.3634 3.3658 k = 0.0204 0.0204 0.0204 ( 6616 PWs) bands (ev): -25.9304 -25.9304 -25.8891 -25.8890 -25.8882 -25.8882 -25.8875 -25.8875 -9.6178 -9.6169 -9.6150 -9.6142 -9.6132 -9.6115 -9.4994 -9.4994 -8.1178 -8.1109 -8.1054 -8.1016 -8.0981 -8.0940 -7.9344 -7.9340 -7.9338 -7.9334 -7.8216 -7.8188 -7.8047 -7.8045 -7.8026 -7.8005 -5.2815 -5.2815 -4.1801 -4.1798 -4.1640 -4.1639 -4.1483 -4.1480 2.5069 2.5116 2.5547 2.5555 2.6016 2.6061 3.3611 3.3662 k = 0.0306 0.0306 0.0306 ( 6592 PWs) bands (ev): -25.9302 -25.9302 -25.8895 -25.8895 -25.8883 -25.8883 -25.8871 -25.8871 -9.6187 -9.6177 -9.6147 -9.6141 -9.6119 -9.6103 -9.4998 -9.4998 -8.1195 -8.1099 -8.1075 -8.1023 -8.0963 -8.0904 -7.9346 -7.9340 -7.9337 -7.9331 -7.8232 -7.8195 -7.8065 -7.8060 -7.8033 -7.7997 -5.2767 -5.2767 -4.1890 -4.1887 -4.1649 -4.1648 -4.1415 -4.1412 2.4865 2.4910 2.5557 2.5565 2.6277 2.6323 3.3582 3.3635 k = 0.0408 0.0408 0.0408 ( 6583 PWs) bands (ev): -25.9300 -25.9300 -25.8899 -25.8899 -25.8883 -25.8883 -25.8868 -25.8868 -9.6196 -9.6185 -9.6143 -9.6139 -9.6106 -9.6090 -9.5003 -9.5003 -8.1211 -8.1096 -8.1095 -8.1031 -8.0938 -8.0866 -7.9348 -7.9340 -7.9336 -7.9328 -7.8253 -7.8210 -7.8091 -7.8074 -7.8041 -7.7991 -5.2701 -5.2701 -4.1983 -4.1979 -4.1662 -4.1661 -4.1353 -4.1350 2.4674 2.4718 2.5571 2.5580 2.6545 2.6593 3.3545 3.3592 k = 0.0510 0.0510 0.0510 ( 6568 PWs) bands (ev): -25.9297 -25.9297 -25.8904 -25.8904 -25.8884 -25.8884 -25.8865 -25.8865 -9.6204 -9.6192 -9.6139 -9.6136 -9.6092 -9.6077 -9.5010 -9.5010 -8.1225 -8.1111 -8.1097 -8.1040 -8.0908 -8.0826 -7.9351 -7.9340 -7.9335 -7.9324 -7.8278 -7.8236 -7.8121 -7.8089 -7.8049 -7.7986 -5.2617 -5.2617 -4.2078 -4.2074 -4.1679 -4.1678 -4.1297 -4.1294 2.4498 2.4541 2.5588 2.5599 2.6821 2.6870 3.3504 3.3544 k = 0.0612 0.0612 0.0612 ( 6571 PWs) bands (ev): -25.9294 -25.9294 -25.8909 -25.8909 -25.8884 -25.8884 -25.8862 -25.8862 -9.6212 -9.6200 -9.6134 -9.6132 -9.6079 -9.6063 -9.5018 -9.5018 -8.1238 -8.1126 -8.1103 -8.1051 -8.0873 -8.0783 -7.9353 -7.9339 -7.9335 -7.9320 -7.8309 -7.8273 -7.8153 -7.8104 -7.8054 -7.7982 -5.2515 -5.2515 -4.2176 -4.2172 -4.1700 -4.1698 -4.1247 -4.1244 2.4337 2.4380 2.5610 2.5622 2.7102 2.7151 3.3459 3.3494 k = 0.0714 0.0714 0.0714 ( 6565 PWs) bands (ev): -25.9291 -25.9291 -25.8914 -25.8914 -25.8885 -25.8885 -25.8860 -25.8860 -9.6218 -9.6206 -9.6129 -9.6127 -9.6065 -9.6049 -9.5028 -9.5028 -8.1248 -8.1138 -8.1112 -8.1062 -8.0834 -8.0738 -7.9355 -7.9337 -7.9335 -7.9316 -7.8349 -7.8320 -7.8185 -7.8120 -7.8058 -7.7979 -5.2397 -5.2397 -4.2275 -4.2271 -4.1724 -4.1722 -4.1203 -4.1201 2.4192 2.4234 2.5636 2.5649 2.7386 2.7437 3.3411 3.3441 k = 0.0816 0.0816 0.0816 ( 6577 PWs) bands (ev): -25.9287 -25.9287 -25.8919 -25.8919 -25.8886 -25.8886 -25.8858 -25.8858 -9.6224 -9.6212 -9.6123 -9.6122 -9.6050 -9.6035 -9.5039 -9.5039 -8.1258 -8.1148 -8.1124 -8.1074 -8.0792 -8.0691 -7.9357 -7.9335 -7.9334 -7.9310 -7.8399 -7.8376 -7.8214 -7.8135 -7.8061 -7.7977 -5.2262 -5.2262 -4.2376 -4.2372 -4.1752 -4.1750 -4.1167 -4.1164 2.4064 2.4105 2.5666 2.5681 2.7673 2.7724 3.3363 3.3389 k = 0.0918 0.0918 0.0918 ( 6574 PWs) bands (ev): -25.9282 -25.9282 -25.8924 -25.8924 -25.8887 -25.8887 -25.8857 -25.8857 -9.6229 -9.6217 -9.6116 -9.6116 -9.6036 -9.6021 -9.5052 -9.5052 -8.1266 -8.1156 -8.1138 -8.1087 -8.0748 -8.0642 -7.9360 -7.9334 -7.9331 -7.9304 -7.8458 -7.8440 -7.8239 -7.8151 -7.8063 -7.7976 -5.2112 -5.2111 -4.2478 -4.2474 -4.1784 -4.1781 -4.1137 -4.1135 2.3952 2.3992 2.5699 2.5716 2.7959 2.8012 3.3314 3.3337 k = 0.1020 0.1020 0.1020 ( 6568 PWs) bands (ev): -25.9277 -25.9277 -25.8929 -25.8929 -25.8889 -25.8889 -25.8855 -25.8855 -9.6233 -9.6221 -9.6110 -9.6109 -9.6022 -9.6007 -9.5066 -9.5066 -8.1273 -8.1163 -8.1154 -8.1100 -8.0703 -8.0592 -7.9362 -7.9334 -7.9327 -7.9297 -7.8525 -7.8511 -7.8261 -7.8166 -7.8065 -7.7975 -5.1947 -5.1947 -4.2582 -4.2577 -4.1818 -4.1816 -4.1115 -4.1113 2.3857 2.3897 2.5737 2.5755 2.8244 2.8297 3.3267 3.3287 k = 0.1122 0.1122 0.1122 ( 6568 PWs) bands (ev): -25.9271 -25.9271 -25.8934 -25.8934 -25.8890 -25.8890 -25.8854 -25.8854 -9.6236 -9.6224 -9.6103 -9.6103 -9.6008 -9.5993 -9.5081 -9.5081 -8.1279 -8.1171 -8.1168 -8.1114 -8.0656 -8.0542 -7.9363 -7.9333 -7.9322 -7.9289 -7.8599 -7.8588 -7.8281 -7.8181 -7.8066 -7.7975 -5.1768 -5.1768 -4.2685 -4.2681 -4.1857 -4.1854 -4.1101 -4.1099 2.3780 2.3818 2.5780 2.5799 2.8524 2.8579 3.3223 3.3239 k = 0.1224 0.1224 0.1224 ( 6574 PWs) bands (ev): -25.9265 -25.9265 -25.8939 -25.8939 -25.8892 -25.8892 -25.8854 -25.8853 -9.6239 -9.6227 -9.6096 -9.6096 -9.5994 -9.5980 -9.5099 -9.5098 -8.1285 -8.1188 -8.1171 -8.1127 -8.0610 -8.0491 -7.9364 -7.9332 -7.9315 -7.9279 -7.8679 -7.8669 -7.8299 -7.8195 -7.8067 -7.7976 -5.1577 -5.1577 -4.2789 -4.2785 -4.1899 -4.1896 -4.1095 -4.1093 2.3720 2.3758 2.5826 2.5846 2.8798 2.8855 3.3182 3.3195 k = 0.1327 0.1327 0.1327 ( 6565 PWs) bands (ev): -25.9258 -25.9258 -25.8945 -25.8945 -25.8893 -25.8893 -25.8853 -25.8853 -9.6241 -9.6230 -9.6089 -9.6088 -9.5981 -9.5967 -9.5117 -9.5116 -8.1291 -8.1207 -8.1174 -8.1139 -8.0564 -8.0441 -7.9364 -7.9329 -7.9307 -7.9267 -7.8764 -7.8755 -7.8314 -7.8209 -7.8068 -7.7976 -5.1374 -5.1374 -4.2893 -4.2889 -4.1944 -4.1941 -4.1096 -4.1094 2.3677 2.3715 2.5876 2.5898 2.9063 2.9121 3.3144 3.3156 k = 0.1429 0.1429 0.1429 ( 6553 PWs) bands (ev): -25.9251 -25.9251 -25.8950 -25.8950 -25.8895 -25.8895 -25.8853 -25.8853 -9.6243 -9.6231 -9.6082 -9.6081 -9.5968 -9.5954 -9.5137 -9.5136 -8.1297 -8.1226 -8.1176 -8.1151 -8.0519 -8.0393 -7.9361 -7.9325 -7.9298 -7.9253 -7.8852 -7.8844 -7.8327 -7.8220 -7.8068 -7.7977 -5.1160 -5.1160 -4.2996 -4.2992 -4.1992 -4.1989 -4.1105 -4.1104 2.3652 2.3689 2.5930 2.5953 2.9316 2.9375 3.3112 3.3122 k = 0.1531 0.1531 0.1531 ( 6547 PWs) bands (ev): -25.9244 -25.9244 -25.8955 -25.8955 -25.8896 -25.8896 -25.8853 -25.8853 -9.6244 -9.6232 -9.6076 -9.6074 -9.5956 -9.5942 -9.5158 -9.5157 -8.1305 -8.1245 -8.1177 -8.1161 -8.0476 -8.0347 -7.9356 -7.9318 -7.9288 -7.9238 -7.8942 -7.8935 -7.8338 -7.8231 -7.8068 -7.7977 -5.0938 -5.0937 -4.3099 -4.3094 -4.2044 -4.2040 -4.1123 -4.1121 2.3645 2.3681 2.5988 2.6012 2.9553 2.9614 3.3085 3.3094 k = 0.1633 0.1633 0.1633 ( 6547 PWs) bands (ev): -25.9236 -25.9236 -25.8960 -25.8960 -25.8898 -25.8898 -25.8854 -25.8854 -9.6244 -9.6232 -9.6070 -9.6068 -9.5944 -9.5930 -9.5180 -9.5179 -8.1313 -8.1264 -8.1178 -8.1170 -8.0437 -8.0305 -7.9348 -7.9309 -7.9279 -7.9220 -7.9032 -7.9028 -7.8348 -7.8240 -7.8068 -7.7977 -5.0706 -5.0706 -4.3200 -4.3196 -4.2098 -4.2095 -4.1149 -4.1147 2.3654 2.3689 2.6050 2.6075 2.9772 2.9835 3.3065 3.3073 k = 0.1735 0.1735 0.1735 ( 6559 PWs) bands (ev): -25.9228 -25.9228 -25.8965 -25.8964 -25.8900 -25.8900 -25.8855 -25.8855 -9.6244 -9.6232 -9.6064 -9.6062 -9.5934 -9.5920 -9.5204 -9.5203 -8.1322 -8.1283 -8.1179 -8.1177 -8.0402 -8.0268 -7.9335 -7.9297 -7.9274 -7.9200 -7.9122 -7.9116 -7.8355 -7.8248 -7.8067 -7.7977 -5.0468 -5.0467 -4.3300 -4.3296 -4.2156 -4.2152 -4.1183 -4.1181 2.3681 2.3715 2.6115 2.6141 2.9968 3.0033 3.3051 3.3058 k = 0.1837 0.1837 0.1837 ( 6565 PWs) bands (ev): -25.9220 -25.9220 -25.8969 -25.8969 -25.8902 -25.8902 -25.8856 -25.8856 -9.6243 -9.6232 -9.6059 -9.6057 -9.5923 -9.5910 -9.5229 -9.5228 -8.1332 -8.1301 -8.1184 -8.1179 -8.0373 -8.0237 -7.9316 -7.9293 -7.9287 -7.9209 -7.9177 -7.9175 -7.8360 -7.8254 -7.8065 -7.7976 -5.0223 -5.0222 -4.3399 -4.3394 -4.2216 -4.2212 -4.1224 -4.1223 2.3724 2.3758 2.6184 2.6211 3.0140 3.0206 3.3043 3.3051 k = 0.1939 0.1939 0.1939 ( 6571 PWs) bands (ev): -25.9212 -25.9212 -25.8974 -25.8974 -25.8905 -25.8905 -25.8858 -25.8858 -9.6242 -9.6231 -9.6055 -9.6052 -9.5914 -9.5901 -9.5255 -9.5253 -8.1342 -8.1319 -8.1189 -8.1180 -8.0349 -8.0214 -7.9360 -7.9330 -7.9291 -7.9238 -7.9183 -7.9151 -7.8363 -7.8258 -7.8063 -7.7974 -4.9973 -4.9972 -4.3495 -4.3491 -4.2278 -4.2274 -4.1274 -4.1273 2.3784 2.3816 2.6256 2.6284 3.0284 3.0353 3.3043 3.3052 k = 0.2041 0.2041 0.2041 ( 6565 PWs) bands (ev): -25.9203 -25.9203 -25.8978 -25.8978 -25.8907 -25.8907 -25.8860 -25.8860 -9.6240 -9.6229 -9.6051 -9.6048 -9.5906 -9.5893 -9.5282 -9.5280 -8.1352 -8.1336 -8.1194 -8.1181 -8.0333 -8.0199 -7.9447 -7.9419 -7.9259 -7.9214 -7.9168 -7.9122 -7.8364 -7.8260 -7.8060 -7.7972 -4.9718 -4.9718 -4.3589 -4.3585 -4.2343 -4.2339 -4.1331 -4.1330 2.3860 2.3891 2.6331 2.6360 3.0400 3.0471 3.3051 3.3060 k = 0.2143 0.2143 0.2143 ( 6568 PWs) bands (ev): -25.9194 -25.9194 -25.8982 -25.8982 -25.8909 -25.8909 -25.8862 -25.8862 -9.6238 -9.6227 -9.6048 -9.6044 -9.5899 -9.5886 -9.5310 -9.5308 -8.1362 -8.1351 -8.1198 -8.1183 -8.0324 -8.0192 -7.9539 -7.9512 -7.9220 -7.9180 -7.9145 -7.9090 -7.8363 -7.8261 -7.8056 -7.7970 -4.9461 -4.9461 -4.3681 -4.3677 -4.2410 -4.2406 -4.1396 -4.1395 2.3951 2.3981 2.6410 2.6439 3.0489 3.0561 3.3065 3.3076 k = 0.2245 0.2245 0.2245 ( 6562 PWs) bands (ev): -25.9185 -25.9185 -25.8986 -25.8986 -25.8911 -25.8911 -25.8864 -25.8864 -9.6236 -9.6225 -9.6046 -9.6042 -9.5892 -9.5879 -9.5339 -9.5337 -8.1371 -8.1365 -8.1202 -8.1185 -8.0322 -8.0193 -7.9632 -7.9605 -7.9175 -7.9138 -7.9116 -7.9055 -7.8361 -7.8259 -7.8052 -7.7966 -4.9202 -4.9202 -4.3770 -4.3766 -4.2479 -4.2475 -4.1468 -4.1467 2.4056 2.4086 2.6491 2.6521 3.0552 3.0626 3.3084 3.3101 k = 0.2347 0.2347 0.2347 ( 6562 PWs) bands (ev): -25.9176 -25.9176 -25.8990 -25.8990 -25.8914 -25.8914 -25.8867 -25.8867 -9.6233 -9.6223 -9.6044 -9.6040 -9.5887 -9.5874 -9.5369 -9.5366 -8.1380 -8.1377 -8.1207 -8.1188 -8.0327 -8.0202 -7.9724 -7.9697 -7.9124 -7.9090 -7.9084 -7.9016 -7.8356 -7.8256 -7.8047 -7.7962 -4.8942 -4.8942 -4.3856 -4.3852 -4.2550 -4.2545 -4.1547 -4.1546 2.4177 2.4206 2.6575 2.6606 3.0594 3.0669 3.3100 3.3133 k = 0.2449 0.2449 0.2449 ( 6565 PWs) bands (ev): -25.9167 -25.9167 -25.8994 -25.8994 -25.8916 -25.8916 -25.8870 -25.8870 -9.6230 -9.6220 -9.6044 -9.6039 -9.5883 -9.5871 -9.5399 -9.5397 -8.1388 -8.1387 -8.1212 -8.1191 -8.0338 -8.0217 -7.9815 -7.9786 -7.9070 -7.9048 -7.9038 -7.8974 -7.8349 -7.8251 -7.8041 -7.7958 -4.8682 -4.8682 -4.3939 -4.3935 -4.2622 -4.2617 -4.1632 -4.1631 2.4311 2.4339 2.6662 2.6693 3.0617 3.0693 3.3066 3.3113 k = 0.2551 0.2551 0.2551 ( 6547 PWs) bands (ev): -25.9157 -25.9157 -25.8997 -25.8997 -25.8918 -25.8918 -25.8874 -25.8874 -9.6227 -9.6217 -9.6044 -9.6039 -9.5880 -9.5868 -9.5430 -9.5427 -8.1397 -8.1392 -8.1217 -8.1194 -8.0355 -8.0239 -7.9903 -7.9873 -7.9012 -7.9010 -7.8980 -7.8927 -7.8340 -7.8244 -7.8035 -7.7953 -4.8423 -4.8423 -4.4019 -4.4015 -4.2695 -4.2691 -4.1723 -4.1722 2.4458 2.4485 2.6751 2.6782 3.0626 3.0701 3.2982 3.3018 k = 0.2653 0.2653 0.2653 ( 6547 PWs) bands (ev): -25.9148 -25.9148 -25.9000 -25.9000 -25.8921 -25.8921 -25.8877 -25.8877 -9.6223 -9.6214 -9.6045 -9.6040 -9.5879 -9.5866 -9.5462 -9.5459 -8.1405 -8.1396 -8.1222 -8.1198 -8.0378 -8.0265 -7.9990 -7.9958 -7.8968 -7.8953 -7.8920 -7.8876 -7.8330 -7.8236 -7.8029 -7.7947 -4.8166 -4.8166 -4.4094 -4.4090 -4.2769 -4.2765 -4.1820 -4.1819 2.4617 2.4643 2.6842 2.6874 3.0623 3.0698 3.2882 3.2915 k = 0.2755 0.2755 0.2755 ( 6541 PWs) bands (ev): -25.9138 -25.9138 -25.9003 -25.9003 -25.8923 -25.8923 -25.8881 -25.8881 -9.6220 -9.6210 -9.6047 -9.6042 -9.5878 -9.5866 -9.5494 -9.5491 -8.1410 -8.1399 -8.1228 -8.1202 -8.0404 -8.0295 -8.0073 -8.0040 -7.8923 -7.8895 -7.8857 -7.8820 -7.8319 -7.8226 -7.8022 -7.7941 -4.7912 -4.7911 -4.4166 -4.4162 -4.2844 -4.2840 -4.1922 -4.1921 2.4789 2.4814 2.6936 2.6968 3.0611 3.0687 3.2773 3.2805 k = 0.2857 0.2857 0.2857 ( 6535 PWs) bands (ev): -25.9129 -25.9129 -25.9005 -25.9005 -25.8926 -25.8926 -25.8885 -25.8885 -9.6216 -9.6206 -9.6050 -9.6044 -9.5879 -9.5867 -9.5527 -9.5523 -8.1413 -8.1399 -8.1233 -8.1207 -8.0435 -8.0328 -8.0154 -8.0120 -7.8876 -7.8838 -7.8792 -7.8760 -7.8306 -7.8214 -7.8015 -7.7935 -4.7661 -4.7661 -4.4233 -4.4229 -4.2919 -4.2915 -4.2029 -4.2028 2.4971 2.4995 2.7031 2.7064 3.0594 3.0669 3.2657 3.2688 k = 0.2959 0.2959 0.2959 ( 6559 PWs) bands (ev): -25.9120 -25.9120 -25.9008 -25.9008 -25.8928 -25.8928 -25.8889 -25.8889 -9.6212 -9.6202 -9.6053 -9.6047 -9.5880 -9.5869 -9.5560 -9.5555 -8.1415 -8.1398 -8.1239 -8.1211 -8.0468 -8.0365 -8.0232 -8.0196 -7.8827 -7.8781 -7.8727 -7.8697 -7.8292 -7.8201 -7.8007 -7.7929 -4.7415 -4.7415 -4.4296 -4.4293 -4.2995 -4.2991 -4.2140 -4.2139 2.5163 2.5186 2.7129 2.7161 3.0572 3.0646 3.2535 3.2565 k = 0.3061 0.3061 0.3061 ( 6545 PWs) bands (ev): -25.9111 -25.9111 -25.9009 -25.9009 -25.8931 -25.8931 -25.8894 -25.8894 -9.6207 -9.6198 -9.6057 -9.6051 -9.5883 -9.5871 -9.5592 -9.5588 -8.1415 -8.1395 -8.1245 -8.1216 -8.0504 -8.0403 -8.0307 -8.0268 -7.8776 -7.8725 -7.8660 -7.8632 -7.8277 -7.8187 -7.8000 -7.7923 -4.7175 -4.7175 -4.4354 -4.4351 -4.3070 -4.3066 -4.2254 -4.2253 2.5365 2.5387 2.7228 2.7261 3.0547 3.0621 3.2406 3.2437 k = 0.3163 0.3163 0.3163 ( 6545 PWs) bands (ev): -25.9102 -25.9102 -25.9011 -25.9011 -25.8933 -25.8933 -25.8898 -25.8898 -9.6203 -9.6194 -9.6061 -9.6055 -9.5887 -9.5875 -9.5625 -9.5620 -8.1413 -8.1391 -8.1250 -8.1220 -8.0542 -8.0443 -8.0379 -8.0338 -7.8723 -7.8668 -7.8595 -7.8567 -7.8261 -7.8172 -7.7993 -7.7916 -4.6941 -4.6941 -4.4407 -4.4404 -4.3145 -4.3141 -4.2371 -4.2370 2.5575 2.5597 2.7330 2.7363 3.0521 3.0594 3.2273 3.2303 k = 0.3265 0.3265 0.3265 ( 6557 PWs) bands (ev): -25.9093 -25.9093 -25.9012 -25.9012 -25.8936 -25.8936 -25.8903 -25.8903 -9.6198 -9.6189 -9.6066 -9.6059 -9.5892 -9.5881 -9.5658 -9.5652 -8.1409 -8.1385 -8.1255 -8.1223 -8.0581 -8.0484 -8.0447 -8.0404 -7.8670 -7.8612 -7.8530 -7.8503 -7.8244 -7.8155 -7.7986 -7.7910 -4.6714 -4.6714 -4.4455 -4.4452 -4.3220 -4.3216 -4.2490 -4.2489 2.5794 2.5814 2.7433 2.7466 3.0494 3.0566 3.2134 3.2165 k = 0.3367 0.3367 0.3367 ( 6557 PWs) bands (ev): -25.9085 -25.9085 -25.9013 -25.9013 -25.8938 -25.8938 -25.8908 -25.8908 -9.6193 -9.6184 -9.6071 -9.6064 -9.5898 -9.5886 -9.5690 -9.5684 -8.1404 -8.1378 -8.1260 -8.1226 -8.0621 -8.0526 -8.0512 -8.0467 -7.8615 -7.8556 -7.8467 -7.8440 -7.8226 -7.8138 -7.7979 -7.7904 -4.6494 -4.6494 -4.4498 -4.4495 -4.3293 -4.3289 -4.2611 -4.2611 2.6019 2.6038 2.7538 2.7571 3.0467 3.0538 3.1992 3.2022 k = 0.3469 0.3469 0.3469 ( 6545 PWs) bands (ev): -25.9076 -25.9076 -25.9014 -25.9014 -25.8941 -25.8941 -25.8913 -25.8913 -9.6187 -9.6178 -9.6076 -9.6069 -9.5904 -9.5893 -9.5721 -9.5715 -8.1397 -8.1369 -8.1263 -8.1229 -8.0661 -8.0574 -8.0568 -8.0527 -7.8560 -7.8500 -7.8407 -7.8380 -7.8209 -7.8119 -7.7973 -7.7898 -4.6283 -4.6283 -4.4535 -4.4531 -4.3365 -4.3361 -4.2733 -4.2733 2.6250 2.6269 2.7644 2.7678 3.0440 3.0509 3.1845 3.1876 k = 0.3571 0.3571 0.3571 ( 6536 PWs) bands (ev): -25.9068 -25.9068 -25.9014 -25.9014 -25.8943 -25.8943 -25.8918 -25.8918 -9.6181 -9.6173 -9.6081 -9.6073 -9.5912 -9.5901 -9.5752 -9.5746 -8.1389 -8.1359 -8.1265 -8.1230 -8.0701 -8.0632 -8.0610 -8.0583 -7.8506 -7.8445 -7.8348 -7.8323 -7.8191 -7.8100 -7.7967 -7.7892 -4.6081 -4.6080 -4.4565 -4.4562 -4.3436 -4.3432 -4.2856 -4.2855 2.6485 2.6504 2.7753 2.7786 3.0412 3.0480 3.1695 3.1726 k = 0.3673 0.3673 0.3673 ( 6542 PWs) bands (ev): -25.9060 -25.9060 -25.9014 -25.9014 -25.8946 -25.8946 -25.8923 -25.8923 -9.6175 -9.6167 -9.6085 -9.6078 -9.5920 -9.5909 -9.5783 -9.5776 -8.1380 -8.1349 -8.1265 -8.1230 -8.0741 -8.0687 -8.0652 -8.0636 -7.8452 -7.8391 -7.8293 -7.8270 -7.8173 -7.8079 -7.7962 -7.7887 -4.5888 -4.5888 -4.4590 -4.4587 -4.3505 -4.3501 -4.2978 -4.2977 2.6725 2.6743 2.7864 2.7897 3.0385 3.0451 3.1542 3.1573 k = 0.3776 0.3776 0.3776 ( 6560 PWs) bands (ev): -25.9053 -25.9053 -25.9014 -25.9014 -25.8948 -25.8948 -25.8928 -25.8928 -9.6169 -9.6161 -9.6090 -9.6082 -9.5929 -9.5919 -9.5812 -9.5805 -8.1370 -8.1338 -8.1264 -8.1230 -8.0780 -8.0738 -8.0693 -8.0687 -7.8399 -7.8338 -7.8241 -7.8222 -7.8155 -7.8057 -7.7957 -7.7883 -4.5705 -4.5705 -4.4609 -4.4606 -4.3572 -4.3569 -4.3100 -4.3099 2.6967 2.6985 2.7976 2.8010 3.0356 3.0421 3.1388 3.1418 k = 0.3878 0.3878 0.3878 ( 6563 PWs) bands (ev): -25.9046 -25.9046 -25.9013 -25.9013 -25.8951 -25.8951 -25.8933 -25.8933 -9.6162 -9.6154 -9.6094 -9.6086 -9.5939 -9.5928 -9.5841 -9.5834 -8.1358 -8.1328 -8.1260 -8.1228 -8.0819 -8.0787 -8.0734 -8.0734 -7.8347 -7.8287 -7.8193 -7.8179 -7.8137 -7.8033 -7.7953 -7.7879 -4.5532 -4.5532 -4.4621 -4.4618 -4.3638 -4.3634 -4.3220 -4.3219 2.7211 2.7228 2.8091 2.8125 3.0326 3.0389 3.1231 3.1262 k = 0.3980 0.3980 0.3980 ( 6560 PWs) bands (ev): -25.9039 -25.9039 -25.9012 -25.9012 -25.8954 -25.8954 -25.8938 -25.8938 -9.6155 -9.6147 -9.6097 -9.6089 -9.5949 -9.5939 -9.5868 -9.5861 -8.1346 -8.1318 -8.1254 -8.1224 -8.0855 -8.0832 -8.0778 -8.0774 -7.8297 -7.8239 -7.8149 -7.8142 -7.8119 -7.8009 -7.7951 -7.7876 -4.5370 -4.5369 -4.4626 -4.4623 -4.3701 -4.3698 -4.3338 -4.3337 2.7454 2.7472 2.8209 2.8242 3.0294 3.0355 3.1073 3.1104 k = 0.4082 0.4082 0.4082 ( 6566 PWs) bands (ev): -25.9032 -25.9032 -25.9011 -25.9011 -25.8956 -25.8956 -25.8944 -25.8944 -9.6147 -9.6139 -9.6099 -9.6091 -9.5960 -9.5949 -9.5894 -9.5887 -8.1333 -8.1308 -8.1245 -8.1219 -8.0891 -8.0873 -8.0820 -8.0813 -7.8249 -7.8193 -7.8110 -7.8110 -7.8102 -7.7983 -7.7949 -7.7873 -4.5218 -4.5217 -4.4625 -4.4622 -4.3763 -4.3760 -4.3454 -4.3453 2.7696 2.7714 2.8328 2.8361 3.0258 3.0317 3.0915 3.0946 k = 0.4184 0.4184 0.4184 ( 6572 PWs) bands (ev): -25.9026 -25.9026 -25.9009 -25.9009 -25.8959 -25.8959 -25.8949 -25.8949 -9.6140 -9.6131 -9.6100 -9.6092 -9.5971 -9.5960 -9.5919 -9.5911 -8.1320 -8.1299 -8.1234 -8.1212 -8.0925 -8.0912 -8.0859 -8.0850 -7.8204 -7.8150 -7.8085 -7.8083 -7.8075 -7.7958 -7.7948 -7.7870 -4.5077 -4.5076 -4.4616 -4.4614 -4.3823 -4.3820 -4.3566 -4.3565 2.7935 2.7953 2.8450 2.8484 3.0217 3.0273 3.0756 3.0787 k = 0.4286 0.4286 0.4286 ( 6575 PWs) bands (ev): -25.9020 -25.9020 -25.9007 -25.9007 -25.8962 -25.8962 -25.8954 -25.8954 -9.6131 -9.6123 -9.6100 -9.6092 -9.5982 -9.5972 -9.5943 -9.5934 -8.1307 -8.1290 -8.1221 -8.1204 -8.0957 -8.0948 -8.0896 -8.0886 -7.8162 -7.8111 -7.8069 -7.8060 -7.8045 -7.7948 -7.7934 -7.7868 -4.4947 -4.4946 -4.4601 -4.4599 -4.3881 -4.3878 -4.3675 -4.3673 2.8169 2.8188 2.8575 2.8608 3.0170 3.0224 3.0598 3.0629 k = 0.4388 0.4388 0.4388 ( 6578 PWs) bands (ev): -25.9014 -25.9014 -25.9005 -25.9005 -25.8965 -25.8965 -25.8959 -25.8959 -9.6123 -9.6115 -9.6099 -9.6091 -9.5993 -9.5983 -9.5965 -9.5956 -8.1293 -8.1281 -8.1206 -8.1193 -8.0987 -8.0980 -8.0930 -8.0921 -7.8124 -7.8077 -7.8054 -7.8040 -7.8020 -7.7949 -7.7913 -7.7867 -4.4827 -4.4826 -4.4579 -4.4576 -4.3938 -4.3936 -4.3779 -4.3778 2.8397 2.8417 2.8702 2.8735 3.0116 3.0166 3.0440 3.0471 k = 0.4490 0.4490 0.4490 ( 6596 PWs) bands (ev): -25.9009 -25.9009 -25.9002 -25.9002 -25.8968 -25.8968 -25.8964 -25.8964 -9.6113 -9.6106 -9.6097 -9.6089 -9.6005 -9.5995 -9.5985 -9.5976 -8.1280 -8.1271 -8.1189 -8.1181 -8.1014 -8.1010 -8.0962 -8.0954 -7.8089 -7.8047 -7.8039 -7.8023 -7.8000 -7.7952 -7.7895 -7.7865 -4.4717 -4.4716 -4.4549 -4.4547 -4.3995 -4.3993 -4.3879 -4.3878 2.8616 2.8637 2.8832 2.8865 3.0051 3.0099 3.0283 3.0314 k = 0.4592 0.4592 0.4592 ( 6596 PWs) bands (ev): -25.9004 -25.9003 -25.9000 -25.9000 -25.8971 -25.8971 -25.8968 -25.8968 -9.6104 -9.6096 -9.6093 -9.6085 -9.6017 -9.6007 -9.6004 -9.5995 -8.1267 -8.1262 -8.1172 -8.1167 -8.1039 -8.1035 -8.0991 -8.0985 -7.8058 -7.8025 -7.8023 -7.8009 -7.7986 -7.7955 -7.7880 -7.7864 -4.4617 -4.4616 -4.4512 -4.4510 -4.4052 -4.4050 -4.3974 -4.3973 2.8825 2.8848 2.8965 2.8998 2.9975 3.0019 3.0128 3.0159 k = 0.4694 0.4694 0.4694 ( 6596 PWs) bands (ev): -25.8999 -25.8999 -25.8997 -25.8997 -25.8975 -25.8975 -25.8973 -25.8973 -9.6094 -9.6088 -9.6086 -9.6080 -9.6028 -9.6021 -9.6017 -9.6011 -8.1254 -8.1252 -8.1153 -8.1151 -8.1061 -8.1058 -8.1019 -8.1015 -7.8032 -7.8013 -7.8004 -7.7997 -7.7977 -7.7960 -7.7869 -7.7862 -4.4526 -4.4524 -4.4468 -4.4467 -4.4109 -4.4107 -4.4063 -4.4062 2.9021 2.9046 2.9101 2.9134 2.9886 2.9927 2.9975 3.0006 k = 0.4796 0.4796 0.4796 ( 6596 PWs) bands (ev): -25.8994 -25.8994 -25.8993 -25.8993 -25.8978 -25.8978 -25.8977 -25.8977 -9.6084 -9.6081 -9.6076 -9.6074 -9.6040 -9.6037 -9.6029 -9.6026 -8.1244 -8.1243 -8.1134 -8.1133 -8.1077 -8.1075 -8.1045 -8.1042 -7.8010 -7.8001 -7.7992 -7.7988 -7.7973 -7.7966 -7.7862 -7.7860 -4.4442 -4.4441 -4.4418 -4.4416 -4.4168 -4.4166 -4.4147 -4.4145 2.9204 2.9232 2.9239 2.9273 2.9783 2.9820 2.9824 2.9854 k = 0.4898 0.4898 0.4898 ( 6596 PWs) bands (ev): -25.8990 -25.8990 -25.8990 -25.8990 -25.8982 -25.8982 -25.8982 -25.8982 -9.6073 -9.6072 -9.6067 -9.6067 -9.6051 -9.6050 -9.6039 -9.6038 -8.1237 -8.1237 -8.1114 -8.1113 -8.1088 -8.1087 -8.1069 -8.1068 -7.7993 -7.7990 -7.7984 -7.7982 -7.7974 -7.7973 -7.7858 -7.7858 -4.4366 -4.4364 -4.4360 -4.4358 -4.4230 -4.4228 -4.4224 -4.4223 2.9370 2.9379 2.9403 2.9414 2.9665 2.9677 2.9697 2.9705 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6045 -9.6045 -8.1235 -8.1235 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7857 -7.7857 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4293 -4.4293 2.9494 2.9494 2.9557 2.9557 2.9557 2.9557 2.9557 2.9557 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6045 -9.6045 -8.1235 -8.1235 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7857 -7.7857 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4293 -4.4293 2.9494 2.9494 2.9557 2.9557 2.9557 2.9557 2.9557 2.9557 k = 0.4875 0.5000 0.4875 ( 6598 PWs) bands (ev): -25.8990 -25.8990 -25.8990 -25.8990 -25.8982 -25.8982 -25.8982 -25.8982 -9.6073 -9.6073 -9.6067 -9.6067 -9.6051 -9.6051 -9.6038 -9.6038 -8.1237 -8.1237 -8.1113 -8.1113 -8.1088 -8.1088 -8.1069 -8.1069 -7.7992 -7.7992 -7.7983 -7.7983 -7.7974 -7.7974 -7.7858 -7.7858 -4.4363 -4.4363 -4.4361 -4.4361 -4.4227 -4.4227 -4.4226 -4.4226 2.9375 2.9375 2.9408 2.9408 2.9671 2.9671 2.9701 2.9701 k = 0.4750 0.5000 0.4750 ( 6598 PWs) bands (ev): -25.8994 -25.8994 -25.8994 -25.8994 -25.8978 -25.8978 -25.8978 -25.8978 -9.6082 -9.6082 -9.6075 -9.6075 -9.6038 -9.6038 -9.6027 -9.6027 -8.1244 -8.1244 -8.1134 -8.1134 -8.1076 -8.1076 -8.1044 -8.1044 -7.8006 -7.8006 -7.7989 -7.7989 -7.7969 -7.7969 -7.7861 -7.7861 -4.4430 -4.4430 -4.4428 -4.4428 -4.4157 -4.4157 -4.4156 -4.4156 2.9221 2.9221 2.9252 2.9252 2.9804 2.9804 2.9837 2.9837 k = 0.4625 0.5000 0.4625 ( 6598 PWs) bands (ev): -25.8998 -25.8998 -25.8998 -25.8998 -25.8974 -25.8974 -25.8974 -25.8974 -9.6091 -9.6091 -9.6083 -9.6083 -9.6025 -9.6025 -9.6014 -9.6014 -8.1253 -8.1253 -8.1152 -8.1152 -8.1059 -8.1059 -8.1017 -8.1017 -7.8024 -7.8024 -7.8000 -7.8000 -7.7967 -7.7967 -7.7865 -7.7865 -4.4498 -4.4498 -4.4496 -4.4496 -4.4086 -4.4086 -4.4084 -4.4084 2.9060 2.9060 2.9090 2.9090 2.9931 2.9931 2.9966 2.9966 k = 0.4500 0.5000 0.4500 ( 6598 PWs) bands (ev): -25.9002 -25.9002 -25.9002 -25.9002 -25.8970 -25.8970 -25.8970 -25.8970 -9.6099 -9.6099 -9.6091 -9.6091 -9.6010 -9.6010 -9.6000 -9.6000 -8.1264 -8.1264 -8.1170 -8.1170 -8.1037 -8.1037 -8.0988 -8.0988 -7.8046 -7.8046 -7.8015 -7.8015 -7.7968 -7.7968 -7.7872 -7.7872 -4.4566 -4.4566 -4.4564 -4.4564 -4.4012 -4.4012 -4.4010 -4.4010 2.8893 2.8893 2.8922 2.8922 3.0052 3.0052 3.0090 3.0090 k = 0.4375 0.5000 0.4375 ( 6590 PWs) bands (ev): -25.9006 -25.9006 -25.9006 -25.9006 -25.8966 -25.8966 -25.8966 -25.8966 -9.6106 -9.6106 -9.6097 -9.6097 -9.5995 -9.5995 -9.5985 -9.5985 -8.1275 -8.1275 -8.1186 -8.1186 -8.1012 -8.1012 -8.0958 -8.0958 -7.8071 -7.8071 -7.8034 -7.8034 -7.7971 -7.7971 -7.7880 -7.7880 -4.4636 -4.4636 -4.4634 -4.4634 -4.3935 -4.3935 -4.3933 -4.3933 2.8720 2.8720 2.8749 2.8749 3.0168 3.0168 3.0207 3.0207 k = 0.4250 0.5000 0.4250 ( 6580 PWs) bands (ev): -25.9010 -25.9010 -25.9010 -25.9010 -25.8962 -25.8962 -25.8962 -25.8962 -9.6112 -9.6112 -9.6103 -9.6103 -9.5978 -9.5978 -9.5969 -9.5969 -8.1286 -8.1286 -8.1200 -8.1200 -8.0984 -8.0984 -8.0926 -8.0926 -7.8099 -7.8099 -7.8057 -7.8057 -7.7976 -7.7976 -7.7889 -7.7889 -4.4707 -4.4707 -4.4705 -4.4705 -4.3855 -4.3855 -4.3853 -4.3853 2.8542 2.8542 2.8572 2.8572 3.0279 3.0279 3.0320 3.0320 k = 0.4125 0.5000 0.4125 ( 6572 PWs) bands (ev): -25.9014 -25.9014 -25.9014 -25.9014 -25.8958 -25.8958 -25.8958 -25.8958 -9.6117 -9.6117 -9.6108 -9.6108 -9.5961 -9.5961 -9.5952 -9.5952 -8.1297 -8.1297 -8.1214 -8.1214 -8.0953 -8.0953 -8.0892 -8.0892 -7.8132 -7.8132 -7.8085 -7.8085 -7.7984 -7.7984 -7.7899 -7.7899 -4.4780 -4.4780 -4.4778 -4.4778 -4.3772 -4.3772 -4.3769 -4.3769 2.8361 2.8361 2.8391 2.8391 3.0386 3.0386 3.0428 3.0428 k = 0.4000 0.5000 0.4000 ( 6562 PWs) bands (ev): -25.9018 -25.9018 -25.9018 -25.9018 -25.8954 -25.8954 -25.8954 -25.8954 -9.6122 -9.6122 -9.6113 -9.6113 -9.5943 -9.5943 -9.5934 -9.5934 -8.1307 -8.1307 -8.1226 -8.1226 -8.0919 -8.0919 -8.0856 -8.0856 -7.8167 -7.8167 -7.8117 -7.8117 -7.7993 -7.7993 -7.7911 -7.7911 -4.4856 -4.4856 -4.4854 -4.4854 -4.3685 -4.3685 -4.3682 -4.3682 2.8176 2.8176 2.8208 2.8208 3.0488 3.0488 3.0531 3.0531 k = 0.3875 0.5000 0.3875 ( 6554 PWs) bands (ev): -25.9022 -25.9022 -25.9022 -25.9022 -25.8950 -25.8950 -25.8950 -25.8950 -9.6126 -9.6126 -9.6117 -9.6117 -9.5925 -9.5925 -9.5916 -9.5916 -8.1316 -8.1316 -8.1236 -8.1236 -8.0883 -8.0883 -8.0818 -8.0818 -7.8206 -7.8206 -7.8152 -7.8152 -7.8003 -7.8003 -7.7923 -7.7923 -4.4934 -4.4934 -4.4932 -4.4932 -4.3595 -4.3595 -4.3592 -4.3592 2.7989 2.7989 2.8023 2.8023 3.0588 3.0588 3.0632 3.0632 k = 0.3750 0.5000 0.3750 ( 6550 PWs) bands (ev): -25.9026 -25.9026 -25.9026 -25.9026 -25.8945 -25.8945 -25.8945 -25.8945 -9.6129 -9.6129 -9.6120 -9.6120 -9.5906 -9.5906 -9.5897 -9.5897 -8.1324 -8.1324 -8.1246 -8.1246 -8.0845 -8.0845 -8.0778 -8.0778 -7.8248 -7.8248 -7.8191 -7.8191 -7.8016 -7.8016 -7.7937 -7.7937 -4.5016 -4.5016 -4.5013 -4.5013 -4.3501 -4.3501 -4.3498 -4.3498 2.7801 2.7801 2.7836 2.7836 3.0684 3.0684 3.0729 3.0729 k = 0.3625 0.5000 0.3625 ( 6554 PWs) bands (ev): -25.9030 -25.9030 -25.9030 -25.9030 -25.8941 -25.8941 -25.8941 -25.8941 -9.6132 -9.6132 -9.6123 -9.6123 -9.5886 -9.5886 -9.5877 -9.5877 -8.1332 -8.1332 -8.1254 -8.1254 -8.0805 -8.0805 -8.0736 -8.0736 -7.8292 -7.8292 -7.8232 -7.8232 -7.8030 -7.8030 -7.7952 -7.7952 -4.5099 -4.5099 -4.5097 -4.5097 -4.3405 -4.3405 -4.3401 -4.3401 2.7613 2.7613 2.7649 2.7649 3.0779 3.0779 3.0825 3.0825 k = 0.3500 0.5000 0.3500 ( 6554 PWs) bands (ev): -25.9034 -25.9034 -25.9034 -25.9034 -25.8937 -25.8937 -25.8937 -25.8937 -9.6135 -9.6135 -9.6125 -9.6125 -9.5866 -9.5866 -9.5857 -9.5857 -8.1338 -8.1338 -8.1262 -8.1262 -8.0763 -8.0763 -8.0693 -8.0693 -7.8339 -7.8339 -7.8277 -7.8277 -7.8045 -7.8045 -7.7967 -7.7967 -4.5186 -4.5186 -4.5183 -4.5183 -4.3305 -4.3305 -4.3301 -4.3301 2.7425 2.7425 2.7463 2.7463 3.0871 3.0871 3.0918 3.0918 k = 0.3375 0.5000 0.3375 ( 6554 PWs) bands (ev): -25.9038 -25.9038 -25.9038 -25.9038 -25.8933 -25.8933 -25.8933 -25.8933 -9.6137 -9.6137 -9.6127 -9.6127 -9.5846 -9.5846 -9.5837 -9.5837 -8.1344 -8.1344 -8.1268 -8.1268 -8.0719 -8.0719 -8.0648 -8.0648 -7.8387 -7.8387 -7.8323 -7.8323 -7.8062 -7.8062 -7.7984 -7.7984 -4.5275 -4.5275 -4.5273 -4.5273 -4.3202 -4.3202 -4.3199 -4.3199 2.7237 2.7237 2.7277 2.7277 3.0962 3.0962 3.1009 3.1009 k = 0.3250 0.5000 0.3250 ( 6550 PWs) bands (ev): -25.9043 -25.9043 -25.9043 -25.9043 -25.8929 -25.8929 -25.8929 -25.8929 -9.6139 -9.6139 -9.6129 -9.6129 -9.5825 -9.5825 -9.5817 -9.5817 -8.1348 -8.1348 -8.1272 -8.1272 -8.0674 -8.0674 -8.0601 -8.0601 -7.8437 -7.8437 -7.8372 -7.8372 -7.8080 -7.8080 -7.8002 -7.8002 -4.5367 -4.5367 -4.5364 -4.5364 -4.3098 -4.3098 -4.3093 -4.3093 2.7052 2.7052 2.7093 2.7093 3.1051 3.1051 3.1099 3.1099 k = 0.3125 0.5000 0.3125 ( 6546 PWs) bands (ev): -25.9047 -25.9047 -25.9047 -25.9047 -25.8925 -25.8925 -25.8925 -25.8925 -9.6141 -9.6141 -9.6131 -9.6131 -9.5805 -9.5805 -9.5796 -9.5796 -8.1351 -8.1351 -8.1276 -8.1276 -8.0627 -8.0627 -8.0553 -8.0553 -7.8488 -7.8488 -7.8421 -7.8421 -7.8099 -7.8099 -7.8021 -7.8021 -4.5461 -4.5461 -4.5458 -4.5458 -4.2991 -4.2991 -4.2986 -4.2986 2.6868 2.6868 2.6912 2.6912 3.1138 3.1138 3.1186 3.1186 k = 0.3000 0.5000 0.3000 ( 6546 PWs) bands (ev): -25.9051 -25.9051 -25.9051 -25.9051 -25.8921 -25.8921 -25.8921 -25.8921 -9.6142 -9.6142 -9.6132 -9.6132 -9.5784 -9.5784 -9.5776 -9.5776 -8.1354 -8.1354 -8.1278 -8.1278 -8.0578 -8.0578 -8.0503 -8.0503 -7.8541 -7.8541 -7.8472 -7.8472 -7.8119 -7.8119 -7.8041 -7.8041 -4.5556 -4.5556 -4.5554 -4.5554 -4.2882 -4.2882 -4.2878 -4.2878 2.6687 2.6687 2.6733 2.6733 3.1223 3.1223 3.1272 3.1272 k = 0.2875 0.5000 0.2875 ( 6542 PWs) bands (ev): -25.9055 -25.9055 -25.9055 -25.9055 -25.8917 -25.8917 -25.8917 -25.8917 -9.6144 -9.6144 -9.6133 -9.6133 -9.5764 -9.5764 -9.5756 -9.5756 -8.1355 -8.1355 -8.1279 -8.1279 -8.0528 -8.0528 -8.0453 -8.0453 -7.8593 -7.8593 -7.8524 -7.8524 -7.8141 -7.8141 -7.8061 -7.8061 -4.5654 -4.5654 -4.5651 -4.5651 -4.2773 -4.2773 -4.2769 -4.2769 2.6510 2.6510 2.6557 2.6557 3.1307 3.1307 3.1356 3.1356 k = 0.2750 0.5000 0.2750 ( 6548 PWs) bands (ev): -25.9059 -25.9059 -25.9059 -25.9059 -25.8913 -25.8913 -25.8913 -25.8913 -9.6145 -9.6145 -9.6134 -9.6134 -9.5743 -9.5743 -9.5736 -9.5736 -8.1355 -8.1355 -8.1278 -8.1278 -8.0478 -8.0478 -8.0402 -8.0402 -7.8646 -7.8646 -7.8575 -7.8575 -7.8163 -7.8163 -7.8083 -7.8083 -4.5752 -4.5752 -4.5749 -4.5749 -4.2663 -4.2663 -4.2659 -4.2659 2.6337 2.6337 2.6385 2.6385 3.1387 3.1387 3.1437 3.1437 k = 0.2625 0.5000 0.2625 ( 6550 PWs) bands (ev): -25.9063 -25.9063 -25.9063 -25.9063 -25.8909 -25.8909 -25.8909 -25.8909 -9.6147 -9.6147 -9.6136 -9.6136 -9.5724 -9.5724 -9.5716 -9.5716 -8.1354 -8.1354 -8.1277 -8.1277 -8.0427 -8.0427 -8.0350 -8.0350 -7.8698 -7.8698 -7.8626 -7.8626 -7.8186 -7.8186 -7.8105 -7.8105 -4.5852 -4.5852 -4.5849 -4.5849 -4.2554 -4.2554 -4.2549 -4.2549 2.6167 2.6167 2.6218 2.6218 3.1465 3.1465 3.1515 3.1515 k = 0.2500 0.5000 0.2500 ( 6546 PWs) bands (ev): -25.9067 -25.9067 -25.9067 -25.9067 -25.8905 -25.8905 -25.8905 -25.8905 -9.6148 -9.6148 -9.6137 -9.6137 -9.5704 -9.5704 -9.5697 -9.5697 -8.1352 -8.1352 -8.1274 -8.1274 -8.0375 -8.0375 -8.0298 -8.0298 -7.8749 -7.8749 -7.8677 -7.8677 -7.8210 -7.8210 -7.8128 -7.8128 -4.5951 -4.5951 -4.5949 -4.5949 -4.2444 -4.2444 -4.2439 -4.2439 2.6003 2.6003 2.6055 2.6055 3.1540 3.1540 3.1591 3.1591 k = 0.2375 0.5000 0.2375 ( 6546 PWs) bands (ev): -25.9071 -25.9071 -25.9071 -25.9071 -25.8901 -25.8901 -25.8901 -25.8901 -9.6150 -9.6150 -9.6138 -9.6138 -9.5685 -9.5685 -9.5678 -9.5678 -8.1349 -8.1349 -8.1269 -8.1269 -8.0324 -8.0324 -8.0247 -8.0247 -7.8799 -7.8799 -7.8726 -7.8726 -7.8235 -7.8235 -7.8152 -7.8152 -4.6051 -4.6051 -4.6048 -4.6048 -4.2336 -4.2336 -4.2331 -4.2331 2.5844 2.5844 2.5896 2.5896 3.1611 3.1611 3.1662 3.1662 k = 0.2250 0.5000 0.2250 ( 6552 PWs) bands (ev): -25.9075 -25.9075 -25.9075 -25.9075 -25.8897 -25.8897 -25.8897 -25.8897 -9.6151 -9.6151 -9.6139 -9.6139 -9.5667 -9.5667 -9.5660 -9.5660 -8.1344 -8.1344 -8.1264 -8.1264 -8.0273 -8.0273 -8.0196 -8.0196 -7.8847 -7.8847 -7.8773 -7.8773 -7.8261 -7.8261 -7.8176 -7.8176 -4.6150 -4.6150 -4.6147 -4.6147 -4.2230 -4.2230 -4.2225 -4.2225 2.5690 2.5690 2.5744 2.5744 3.1678 3.1678 3.1729 3.1729 k = 0.2125 0.5000 0.2125 ( 6556 PWs) bands (ev): -25.9079 -25.9079 -25.9079 -25.9079 -25.8894 -25.8894 -25.8894 -25.8894 -9.6153 -9.6153 -9.6141 -9.6141 -9.5649 -9.5649 -9.5643 -9.5643 -8.1339 -8.1339 -8.1257 -8.1257 -8.0223 -8.0223 -8.0147 -8.0147 -7.8892 -7.8892 -7.8818 -7.8818 -7.8287 -7.8287 -7.8201 -7.8201 -4.6248 -4.6248 -4.6245 -4.6245 -4.2126 -4.2126 -4.2121 -4.2121 2.5542 2.5542 2.5597 2.5597 3.1739 3.1739 3.1791 3.1791 k = 0.2000 0.5000 0.2000 ( 6566 PWs) bands (ev): -25.9083 -25.9083 -25.9083 -25.9083 -25.8890 -25.8890 -25.8890 -25.8890 -9.6155 -9.6155 -9.6142 -9.6142 -9.5632 -9.5632 -9.5626 -9.5626 -8.1332 -8.1332 -8.1249 -8.1249 -8.0175 -8.0175 -8.0099 -8.0099 -7.8935 -7.8935 -7.8860 -7.8860 -7.8314 -7.8314 -7.8226 -7.8226 -4.6344 -4.6344 -4.6341 -4.6341 -4.2024 -4.2024 -4.2019 -4.2019 2.5400 2.5400 2.5456 2.5456 3.1796 3.1796 3.1847 3.1847 k = 0.1875 0.5000 0.1875 ( 6560 PWs) bands (ev): -25.9086 -25.9086 -25.9086 -25.9086 -25.8887 -25.8887 -25.8887 -25.8887 -9.6157 -9.6157 -9.6144 -9.6144 -9.5616 -9.5616 -9.5610 -9.5610 -8.1325 -8.1325 -8.1240 -8.1240 -8.0129 -8.0129 -8.0053 -8.0053 -7.8975 -7.8975 -7.8899 -7.8899 -7.8342 -7.8342 -7.8252 -7.8252 -4.6437 -4.6437 -4.6435 -4.6435 -4.1926 -4.1926 -4.1921 -4.1921 2.5265 2.5265 2.5322 2.5322 3.1848 3.1848 3.1899 3.1899 k = 0.1750 0.5000 0.1750 ( 6548 PWs) bands (ev): -25.9090 -25.9090 -25.9090 -25.9090 -25.8884 -25.8884 -25.8884 -25.8884 -9.6159 -9.6159 -9.6146 -9.6146 -9.5601 -9.5601 -9.5595 -9.5595 -8.1316 -8.1316 -8.1231 -8.1231 -8.0085 -8.0085 -8.0011 -8.0011 -7.9010 -7.9010 -7.8933 -7.8933 -7.8369 -7.8369 -7.8278 -7.8278 -4.6528 -4.6528 -4.6526 -4.6526 -4.1832 -4.1832 -4.1827 -4.1827 2.5137 2.5137 2.5195 2.5195 3.1893 3.1893 3.1944 3.1944 k = 0.1625 0.5000 0.1625 ( 6546 PWs) bands (ev): -25.9093 -25.9093 -25.9093 -25.9093 -25.8880 -25.8880 -25.8880 -25.8880 -9.6161 -9.6161 -9.6148 -9.6148 -9.5587 -9.5587 -9.5581 -9.5581 -8.1307 -8.1307 -8.1220 -8.1220 -8.0046 -8.0046 -7.9972 -7.9972 -7.9041 -7.9041 -7.8962 -7.8962 -7.8397 -7.8397 -7.8304 -7.8304 -4.6616 -4.6616 -4.6613 -4.6613 -4.1742 -4.1742 -4.1737 -4.1737 2.5016 2.5016 2.5075 2.5075 3.1933 3.1933 3.1984 3.1984 k = 0.1500 0.5000 0.1500 ( 6558 PWs) bands (ev): -25.9096 -25.9096 -25.9096 -25.9096 -25.8878 -25.8878 -25.8878 -25.8878 -9.6163 -9.6163 -9.6150 -9.6150 -9.5573 -9.5573 -9.5568 -9.5568 -8.1297 -8.1297 -8.1209 -8.1209 -8.0010 -8.0010 -7.9937 -7.9937 -7.9067 -7.9067 -7.8987 -7.8987 -7.8425 -7.8425 -7.8330 -7.8330 -4.6700 -4.6700 -4.6697 -4.6697 -4.1656 -4.1656 -4.1651 -4.1651 2.4903 2.4903 2.4962 2.4962 3.1968 3.1968 3.2017 3.2017 k = 0.1375 0.5000 0.1375 ( 6552 PWs) bands (ev): -25.9099 -25.9099 -25.9099 -25.9099 -25.8875 -25.8875 -25.8875 -25.8875 -9.6165 -9.6165 -9.6152 -9.6152 -9.5561 -9.5561 -9.5556 -9.5556 -8.1287 -8.1287 -8.1197 -8.1197 -7.9979 -7.9979 -7.9907 -7.9907 -7.9087 -7.9087 -7.9005 -7.9005 -7.8453 -7.8453 -7.8357 -7.8357 -4.6779 -4.6779 -4.6777 -4.6777 -4.1576 -4.1576 -4.1571 -4.1571 2.4797 2.4797 2.4857 2.4857 3.1997 3.1997 3.2046 3.2046 k = 0.1250 0.5000 0.1250 ( 6552 PWs) bands (ev): -25.9101 -25.9101 -25.9101 -25.9101 -25.8872 -25.8872 -25.8872 -25.8872 -9.6168 -9.6168 -9.6154 -9.6154 -9.5550 -9.5550 -9.5545 -9.5545 -8.1277 -8.1277 -8.1186 -8.1186 -7.9954 -7.9954 -7.9883 -7.9883 -7.9101 -7.9101 -7.9017 -7.9017 -7.8481 -7.8481 -7.8383 -7.8383 -4.6853 -4.6853 -4.6851 -4.6851 -4.1501 -4.1501 -4.1496 -4.1496 2.4700 2.4700 2.4760 2.4760 3.2021 3.2021 3.2070 3.2070 k = 0.1125 0.5000 0.1125 ( 6554 PWs) bands (ev): -25.9104 -25.9104 -25.9104 -25.9104 -25.8870 -25.8870 -25.8870 -25.8870 -9.6170 -9.6170 -9.6155 -9.6155 -9.5539 -9.5539 -9.5535 -9.5535 -8.1266 -8.1266 -8.1174 -8.1174 -7.9933 -7.9933 -7.9863 -7.9863 -7.9110 -7.9110 -7.9023 -7.9023 -7.8509 -7.8509 -7.8409 -7.8409 -4.6922 -4.6922 -4.6920 -4.6920 -4.1432 -4.1432 -4.1428 -4.1428 2.4611 2.4611 2.4672 2.4672 3.2041 3.2041 3.2089 3.2089 k = 0.1000 0.5000 0.1000 ( 6554 PWs) bands (ev): -25.9106 -25.9106 -25.9106 -25.9106 -25.8868 -25.8868 -25.8868 -25.8868 -9.6172 -9.6172 -9.6157 -9.6157 -9.5530 -9.5530 -9.5525 -9.5525 -8.1256 -8.1256 -8.1162 -8.1162 -7.9918 -7.9918 -7.9848 -7.9848 -7.9112 -7.9112 -7.9023 -7.9023 -7.8536 -7.8536 -7.8435 -7.8435 -4.6985 -4.6985 -4.6983 -4.6983 -4.1370 -4.1370 -4.1365 -4.1365 2.4530 2.4530 2.4592 2.4592 3.2057 3.2057 3.2104 3.2104 k = 0.0875 0.5000 0.0875 ( 6546 PWs) bands (ev): -25.9108 -25.9108 -25.9108 -25.9108 -25.8866 -25.8866 -25.8866 -25.8866 -9.6174 -9.6174 -9.6159 -9.6159 -9.5522 -9.5522 -9.5517 -9.5517 -8.1246 -8.1246 -8.1151 -8.1151 -7.9908 -7.9908 -7.9838 -7.9838 -7.9109 -7.9109 -7.9018 -7.9018 -7.8562 -7.8562 -7.8460 -7.8460 -4.7041 -4.7041 -4.7040 -4.7040 -4.1314 -4.1314 -4.1309 -4.1309 2.4459 2.4459 2.4521 2.4521 3.2069 3.2069 3.2115 3.2115 k = 0.0750 0.5000 0.0750 ( 6534 PWs) bands (ev): -25.9110 -25.9110 -25.9110 -25.9110 -25.8864 -25.8864 -25.8864 -25.8864 -9.6175 -9.6175 -9.6161 -9.6161 -9.5514 -9.5514 -9.5510 -9.5510 -8.1237 -8.1237 -8.1141 -8.1141 -7.9902 -7.9902 -7.9832 -7.9832 -7.9102 -7.9102 -7.9010 -7.9010 -7.8586 -7.8586 -7.8484 -7.8484 -4.7091 -4.7091 -4.7090 -4.7090 -4.1265 -4.1265 -4.1260 -4.1260 2.4397 2.4397 2.4459 2.4459 3.2079 3.2079 3.2124 3.2124 k = 0.0625 0.5000 0.0625 ( 6538 PWs) bands (ev): -25.9111 -25.9111 -25.9111 -25.9111 -25.8863 -25.8863 -25.8863 -25.8863 -9.6177 -9.6177 -9.6162 -9.6162 -9.5508 -9.5508 -9.5504 -9.5504 -8.1229 -8.1229 -8.1132 -8.1132 -7.9899 -7.9899 -7.9829 -7.9829 -7.9091 -7.9091 -7.9000 -7.9000 -7.8609 -7.8609 -7.8507 -7.8507 -4.7134 -4.7134 -4.7133 -4.7133 -4.1223 -4.1223 -4.1218 -4.1218 2.4344 2.4344 2.4406 2.4406 3.2086 3.2086 3.2131 3.2131 k = 0.0500 0.5000 0.0500 ( 6530 PWs) bands (ev): -25.9112 -25.9112 -25.9112 -25.9112 -25.8861 -25.8861 -25.8861 -25.8861 -9.6178 -9.6178 -9.6163 -9.6163 -9.5503 -9.5503 -9.5499 -9.5499 -8.1222 -8.1222 -8.1124 -8.1124 -7.9897 -7.9897 -7.9828 -7.9828 -7.9079 -7.9079 -7.8989 -7.8989 -7.8629 -7.8629 -7.8527 -7.8527 -4.7169 -4.7169 -4.7168 -4.7168 -4.1188 -4.1188 -4.1184 -4.1184 2.4300 2.4300 2.4362 2.4362 3.2092 3.2092 3.2135 3.2135 k = 0.0375 0.5000 0.0375 ( 6518 PWs) bands (ev): -25.9113 -25.9113 -25.9113 -25.9113 -25.8860 -25.8860 -25.8860 -25.8860 -9.6179 -9.6179 -9.6164 -9.6164 -9.5499 -9.5499 -9.5496 -9.5496 -8.1216 -8.1216 -8.1117 -8.1117 -7.9898 -7.9898 -7.9828 -7.9828 -7.9066 -7.9066 -7.8979 -7.8979 -7.8646 -7.8646 -7.8545 -7.8545 -4.7197 -4.7197 -4.7196 -4.7196 -4.1161 -4.1161 -4.1157 -4.1157 2.4266 2.4266 2.4328 2.4328 3.2095 3.2095 3.2139 3.2139 k = 0.0250 0.5000 0.0250 ( 6518 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8860 -25.8860 -25.8860 -25.8860 -9.6180 -9.6180 -9.6165 -9.6165 -9.5497 -9.5497 -9.5493 -9.5493 -8.1211 -8.1211 -8.1112 -8.1112 -7.9898 -7.9898 -7.9829 -7.9829 -7.9055 -7.9055 -7.8971 -7.8971 -7.8658 -7.8658 -7.8559 -7.8559 -4.7217 -4.7217 -4.7216 -4.7216 -4.1142 -4.1142 -4.1137 -4.1137 2.4242 2.4242 2.4304 2.4304 3.2098 3.2098 3.2141 3.2141 k = 0.0125 0.5000 0.0125 ( 6528 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8859 -25.8859 -25.8859 -25.8859 -9.6181 -9.6181 -9.6165 -9.6165 -9.5495 -9.5495 -9.5491 -9.5491 -8.1209 -8.1209 -8.1109 -8.1109 -7.9899 -7.9899 -7.9829 -7.9829 -7.9048 -7.9048 -7.8966 -7.8966 -7.8666 -7.8666 -7.8567 -7.8567 -4.7229 -4.7229 -4.7229 -4.7229 -4.1130 -4.1130 -4.1126 -4.1126 2.4227 2.4227 2.4289 2.4289 3.2099 3.2099 3.2142 3.2142 k = 0.0000 0.5000-0.0000 ( 6528 PWs) bands (ev): -25.9114 -25.9114 -25.9114 -25.9114 -25.8859 -25.8859 -25.8859 -25.8859 -9.6181 -9.6181 -9.6166 -9.6166 -9.5494 -9.5494 -9.5491 -9.5491 -8.1208 -8.1208 -8.1109 -8.1109 -7.9899 -7.9899 -7.9830 -7.9830 -7.9045 -7.9045 -7.8964 -7.8964 -7.8669 -7.8669 -7.8571 -7.8571 -4.7233 -4.7233 -4.7233 -4.7233 -4.1126 -4.1126 -4.1122 -4.1122 2.4222 2.4222 2.4284 2.4284 3.2100 3.2100 3.2142 3.2142 k = 0.5000 0.5000-0.0000 ( 6536 PWs) bands (ev): -25.9057 -25.9057 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6094 -9.6094 -9.6094 -9.6094 -9.5701 -9.5701 -9.5701 -9.5701 -8.1322 -8.1322 -8.1322 -8.1322 -8.0200 -8.0200 -8.0200 -8.0200 -7.8887 -7.8887 -7.8887 -7.8887 -7.8255 -7.8255 -7.8255 -7.8255 -4.5374 -4.5374 -4.5374 -4.5374 -4.2937 -4.2937 -4.2937 -4.2937 2.6252 2.6252 2.6252 2.6252 3.0484 3.0484 3.0484 3.0484 k = 0.5000 0.5000 0.0179 ( 6536 PWs) bands (ev): -25.9057 -25.9057 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6094 -9.6094 -9.6094 -9.6094 -9.5702 -9.5702 -9.5701 -9.5701 -8.1324 -8.1324 -8.1319 -8.1319 -8.0208 -8.0208 -8.0199 -8.0199 -7.8887 -7.8887 -7.8879 -7.8879 -7.8256 -7.8256 -7.8251 -7.8251 -4.5372 -4.5372 -4.5372 -4.5372 -4.2940 -4.2940 -4.2940 -4.2940 2.6258 2.6258 2.6259 2.6259 3.0484 3.0484 3.0486 3.0486 k = 0.5000 0.5000 0.0357 ( 6536 PWs) bands (ev): -25.9057 -25.9057 -25.9057 -25.9057 -25.8915 -25.8915 -25.8915 -25.8915 -9.6095 -9.6095 -9.6094 -9.6094 -9.5704 -9.5704 -9.5703 -9.5703 -8.1326 -8.1326 -8.1317 -8.1317 -8.0223 -8.0223 -8.0206 -8.0206 -7.8878 -7.8878 -7.8863 -7.8863 -7.8254 -7.8254 -7.8245 -7.8245 -4.5368 -4.5368 -4.5368 -4.5368 -4.2947 -4.2947 -4.2947 -4.2947 2.6275 2.6275 2.6276 2.6276 3.0487 3.0487 3.0491 3.0491 k = 0.5000 0.5000 0.0536 ( 6552 PWs) bands (ev): -25.9056 -25.9056 -25.9056 -25.9056 -25.8916 -25.8916 -25.8916 -25.8916 -9.6097 -9.6097 -9.6095 -9.6095 -9.5709 -9.5709 -9.5707 -9.5707 -8.1329 -8.1329 -8.1315 -8.1315 -8.0245 -8.0245 -8.0221 -8.0221 -7.8862 -7.8862 -7.8840 -7.8840 -7.8251 -7.8251 -7.8237 -7.8237 -4.5361 -4.5361 -4.5360 -4.5360 -4.2959 -4.2959 -4.2958 -4.2958 2.6303 2.6303 2.6305 2.6305 3.0492 3.0492 3.0499 3.0499 k = 0.5000 0.5000 0.0714 ( 6532 PWs) bands (ev): -25.9055 -25.9055 -25.9055 -25.9055 -25.8917 -25.8917 -25.8917 -25.8917 -9.6098 -9.6098 -9.6096 -9.6096 -9.5714 -9.5714 -9.5712 -9.5712 -8.1331 -8.1331 -8.1312 -8.1312 -8.0272 -8.0272 -8.0241 -8.0241 -7.8838 -7.8838 -7.8810 -7.8810 -7.8244 -7.8244 -7.8227 -7.8227 -4.5350 -4.5350 -4.5350 -4.5350 -4.2975 -4.2975 -4.2974 -4.2974 2.6343 2.6343 2.6346 2.6346 3.0500 3.0500 3.0509 3.0509 k = 0.5000 0.5000 0.0893 ( 6544 PWs) bands (ev): -25.9054 -25.9054 -25.9054 -25.9054 -25.8918 -25.8918 -25.8918 -25.8918 -9.6100 -9.6100 -9.6098 -9.6098 -9.5722 -9.5722 -9.5719 -9.5719 -8.1333 -8.1333 -8.1310 -8.1310 -8.0304 -8.0304 -8.0268 -8.0268 -7.8808 -7.8808 -7.8775 -7.8775 -7.8236 -7.8236 -7.8214 -7.8214 -4.5337 -4.5337 -4.5337 -4.5337 -4.2996 -4.2996 -4.2995 -4.2995 2.6394 2.6394 2.6398 2.6398 3.0510 3.0510 3.0521 3.0521 k = 0.5000 0.5000 0.1071 ( 6544 PWs) bands (ev): -25.9053 -25.9053 -25.9053 -25.9053 -25.8919 -25.8919 -25.8919 -25.8919 -9.6102 -9.6102 -9.6099 -9.6099 -9.5730 -9.5730 -9.5727 -9.5727 -8.1335 -8.1335 -8.1308 -8.1308 -8.0341 -8.0341 -8.0299 -8.0299 -7.8773 -7.8773 -7.8736 -7.8736 -7.8226 -7.8226 -7.8200 -7.8200 -4.5321 -4.5321 -4.5320 -4.5320 -4.3021 -4.3021 -4.3020 -4.3020 2.6456 2.6456 2.6461 2.6461 3.0521 3.0521 3.0535 3.0535 k = 0.5000 0.5000 0.1250 ( 6544 PWs) bands (ev): -25.9052 -25.9052 -25.9052 -25.9052 -25.8920 -25.8920 -25.8920 -25.8920 -9.6105 -9.6105 -9.6101 -9.6101 -9.5741 -9.5741 -9.5737 -9.5737 -8.1337 -8.1337 -8.1305 -8.1305 -8.0380 -8.0380 -8.0334 -8.0334 -7.8733 -7.8733 -7.8693 -7.8693 -7.8214 -7.8214 -7.8183 -7.8183 -4.5302 -4.5302 -4.5301 -4.5301 -4.3050 -4.3050 -4.3049 -4.3049 2.6528 2.6528 2.6534 2.6534 3.0534 3.0534 3.0549 3.0549 k = 0.5000 0.5000 0.1429 ( 6536 PWs) bands (ev): -25.9050 -25.9050 -25.9050 -25.9050 -25.8922 -25.8922 -25.8922 -25.8922 -9.6107 -9.6107 -9.6104 -9.6104 -9.5752 -9.5752 -9.5748 -9.5748 -8.1338 -8.1338 -8.1302 -8.1302 -8.0421 -8.0421 -8.0371 -8.0371 -7.8690 -7.8690 -7.8647 -7.8647 -7.8200 -7.8200 -7.8166 -7.8166 -4.5280 -4.5280 -4.5279 -4.5279 -4.3084 -4.3084 -4.3083 -4.3083 2.6611 2.6611 2.6618 2.6618 3.0547 3.0547 3.0564 3.0564 k = 0.5000 0.5000 0.1607 ( 6544 PWs) bands (ev): -25.9048 -25.9048 -25.9048 -25.9048 -25.8924 -25.8924 -25.8924 -25.8924 -9.6110 -9.6110 -9.6106 -9.6106 -9.5764 -9.5764 -9.5760 -9.5760 -8.1339 -8.1339 -8.1299 -8.1299 -8.0464 -8.0464 -8.0411 -8.0411 -7.8645 -7.8645 -7.8599 -7.8599 -7.8184 -7.8184 -7.8146 -7.8146 -4.5255 -4.5255 -4.5254 -4.5254 -4.3121 -4.3121 -4.3121 -4.3121 2.6704 2.6704 2.6712 2.6712 3.0559 3.0559 3.0579 3.0579 k = 0.5000 0.5000 0.1786 ( 6544 PWs) bands (ev): -25.9046 -25.9046 -25.9046 -25.9046 -25.8926 -25.8926 -25.8926 -25.8926 -9.6113 -9.6113 -9.6108 -9.6108 -9.5778 -9.5778 -9.5773 -9.5773 -8.1340 -8.1340 -8.1296 -8.1296 -8.0508 -8.0508 -8.0453 -8.0453 -7.8598 -7.8598 -7.8551 -7.8551 -7.8168 -7.8168 -7.8126 -7.8126 -4.5227 -4.5227 -4.5227 -4.5227 -4.3163 -4.3163 -4.3162 -4.3162 2.6807 2.6807 2.6815 2.6815 3.0571 3.0571 3.0593 3.0593 k = 0.5000 0.5000 0.1964 ( 6528 PWs) bands (ev): -25.9044 -25.9044 -25.9044 -25.9044 -25.8928 -25.8928 -25.8928 -25.8928 -9.6115 -9.6115 -9.6110 -9.6110 -9.5793 -9.5793 -9.5787 -9.5787 -8.1339 -8.1339 -8.1292 -8.1292 -8.0552 -8.0552 -8.0495 -8.0495 -7.8549 -7.8549 -7.8501 -7.8501 -7.8150 -7.8150 -7.8105 -7.8105 -4.5197 -4.5197 -4.5196 -4.5196 -4.3208 -4.3208 -4.3207 -4.3207 2.6918 2.6918 2.6928 2.6928 3.0580 3.0580 3.0604 3.0604 k = 0.5000 0.5000 0.2143 ( 6520 PWs) bands (ev): -25.9041 -25.9041 -25.9041 -25.9041 -25.8930 -25.8930 -25.8930 -25.8930 -9.6117 -9.6117 -9.6112 -9.6112 -9.5808 -9.5808 -9.5802 -9.5802 -8.1339 -8.1339 -8.1288 -8.1288 -8.0597 -8.0597 -8.0538 -8.0538 -7.8501 -7.8501 -7.8452 -7.8452 -7.8132 -7.8132 -7.8083 -7.8083 -4.5163 -4.5163 -4.5162 -4.5162 -4.3256 -4.3256 -4.3255 -4.3255 2.7038 2.7038 2.7049 2.7049 3.0586 3.0586 3.0613 3.0613 k = 0.5000 0.5000 0.2321 ( 6536 PWs) bands (ev): -25.9039 -25.9039 -25.9039 -25.9039 -25.8933 -25.8933 -25.8933 -25.8933 -9.6120 -9.6120 -9.6114 -9.6114 -9.5824 -9.5824 -9.5818 -9.5818 -8.1337 -8.1337 -8.1283 -8.1283 -8.0641 -8.0641 -8.0581 -8.0581 -7.8453 -7.8453 -7.8404 -7.8404 -7.8114 -7.8114 -7.8061 -7.8061 -4.5127 -4.5127 -4.5126 -4.5126 -4.3308 -4.3308 -4.3307 -4.3307 2.7166 2.7166 2.7178 2.7178 3.0589 3.0589 3.0617 3.0617 k = 0.5000 0.5000 0.2500 ( 6536 PWs) bands (ev): -25.9036 -25.9036 -25.9036 -25.9036 -25.8936 -25.8936 -25.8936 -25.8936 -9.6121 -9.6121 -9.6115 -9.6115 -9.5841 -9.5841 -9.5834 -9.5834 -8.1335 -8.1335 -8.1277 -8.1277 -8.0684 -8.0684 -8.0624 -8.0624 -7.8406 -7.8406 -7.8357 -7.8357 -7.8095 -7.8095 -7.8039 -7.8039 -4.5088 -4.5088 -4.5087 -4.5087 -4.3363 -4.3363 -4.3361 -4.3361 2.7302 2.7302 2.7314 2.7314 3.0585 3.0585 3.0616 3.0616 k = 0.5000 0.5000 0.2679 ( 6544 PWs) bands (ev): -25.9033 -25.9033 -25.9033 -25.9033 -25.8938 -25.8938 -25.8938 -25.8938 -9.6122 -9.6122 -9.6116 -9.6116 -9.5858 -9.5858 -9.5851 -9.5851 -8.1332 -8.1332 -8.1271 -8.1271 -8.0727 -8.0727 -8.0665 -8.0665 -7.8360 -7.8360 -7.8311 -7.8311 -7.8077 -7.8077 -7.8017 -7.8017 -4.5046 -4.5046 -4.5045 -4.5045 -4.3420 -4.3420 -4.3419 -4.3419 2.7444 2.7444 2.7458 2.7458 3.0576 3.0576 3.0608 3.0608 k = 0.5000 0.5000 0.2857 ( 6548 PWs) bands (ev): -25.9030 -25.9030 -25.9030 -25.9030 -25.8941 -25.8941 -25.8941 -25.8941 -9.6123 -9.6123 -9.6116 -9.6116 -9.5875 -9.5875 -9.5868 -9.5868 -8.1328 -8.1328 -8.1264 -8.1264 -8.0768 -8.0768 -8.0706 -8.0706 -7.8315 -7.8315 -7.8267 -7.8267 -7.8059 -7.8059 -7.7996 -7.7996 -4.5002 -4.5002 -4.5000 -4.5000 -4.3480 -4.3480 -4.3479 -4.3479 2.7593 2.7593 2.7607 2.7607 3.0559 3.0559 3.0593 3.0593 k = 0.5000 0.5000 0.3036 ( 6544 PWs) bands (ev): -25.9027 -25.9027 -25.9027 -25.9027 -25.8945 -25.8945 -25.8945 -25.8945 -9.6123 -9.6123 -9.6116 -9.6116 -9.5893 -9.5893 -9.5885 -9.5885 -8.1324 -8.1324 -8.1256 -8.1256 -8.0808 -8.0808 -8.0746 -8.0746 -7.8272 -7.8272 -7.8225 -7.8225 -7.8042 -7.8042 -7.7976 -7.7976 -4.4954 -4.4954 -4.4953 -4.4953 -4.3542 -4.3542 -4.3541 -4.3541 2.7746 2.7746 2.7762 2.7762 3.0533 3.0533 3.0568 3.0568 k = 0.5000 0.5000 0.3214 ( 6568 PWs) bands (ev): -25.9023 -25.9023 -25.9023 -25.9023 -25.8948 -25.8948 -25.8948 -25.8948 -9.6122 -9.6122 -9.6115 -9.6115 -9.5911 -9.5911 -9.5903 -9.5903 -8.1318 -8.1318 -8.1248 -8.1248 -8.0846 -8.0846 -8.0785 -8.0785 -7.8232 -7.8232 -7.8186 -7.8186 -7.8026 -7.8026 -7.7956 -7.7956 -4.4905 -4.4905 -4.4904 -4.4904 -4.3606 -4.3606 -4.3605 -4.3605 2.7904 2.7904 2.7922 2.7922 3.0497 3.0497 3.0533 3.0533 k = 0.5000 0.5000 0.3393 ( 6560 PWs) bands (ev): -25.9020 -25.9020 -25.9020 -25.9020 -25.8951 -25.8951 -25.8951 -25.8951 -9.6121 -9.6121 -9.6113 -9.6113 -9.5928 -9.5928 -9.5920 -9.5920 -8.1311 -8.1311 -8.1238 -8.1238 -8.0883 -8.0883 -8.0823 -8.0823 -7.8193 -7.8193 -7.8149 -7.8149 -7.8012 -7.8012 -7.7938 -7.7938 -4.4853 -4.4853 -4.4852 -4.4852 -4.3672 -4.3672 -4.3670 -4.3670 2.8066 2.8066 2.8085 2.8085 3.0451 3.0451 3.0488 3.0488 k = 0.5000 0.5000 0.3571 ( 6568 PWs) bands (ev): -25.9016 -25.9016 -25.9016 -25.9016 -25.8955 -25.8955 -25.8955 -25.8955 -9.6118 -9.6118 -9.6110 -9.6110 -9.5945 -9.5945 -9.5937 -9.5937 -8.1303 -8.1303 -8.1227 -8.1227 -8.0918 -8.0918 -8.0859 -8.0859 -7.8158 -7.8158 -7.8116 -7.8116 -7.7999 -7.7999 -7.7922 -7.7922 -4.4799 -4.4799 -4.4797 -4.4797 -4.3739 -4.3739 -4.3738 -4.3738 2.8231 2.8231 2.8251 2.8251 3.0393 3.0393 3.0431 3.0431 k = 0.5000 0.5000 0.3750 ( 6576 PWs) bands (ev): -25.9013 -25.9013 -25.9013 -25.9013 -25.8959 -25.8959 -25.8958 -25.8958 -9.6115 -9.6115 -9.6107 -9.6107 -9.5962 -9.5962 -9.5953 -9.5953 -8.1295 -8.1295 -8.1215 -8.1215 -8.0951 -8.0951 -8.0894 -8.0894 -7.8125 -7.8125 -7.8086 -7.8086 -7.7988 -7.7988 -7.7907 -7.7907 -4.4742 -4.4742 -4.4741 -4.4741 -4.3808 -4.3808 -4.3806 -4.3806 2.8397 2.8397 2.8419 2.8419 3.0324 3.0324 3.0361 3.0361 k = 0.5000 0.5000 0.3929 ( 6580 PWs) bands (ev): -25.9009 -25.9009 -25.9009 -25.9009 -25.8962 -25.8962 -25.8962 -25.8962 -9.6110 -9.6110 -9.6102 -9.6102 -9.5979 -9.5979 -9.5970 -9.5970 -8.1285 -8.1285 -8.1201 -8.1201 -8.0982 -8.0982 -8.0927 -8.0927 -7.8095 -7.8095 -7.8059 -7.8059 -7.7979 -7.7979 -7.7894 -7.7894 -4.4683 -4.4683 -4.4682 -4.4682 -4.3877 -4.3877 -4.3875 -4.3875 2.8564 2.8564 2.8587 2.8587 3.0243 3.0243 3.0280 3.0280 k = 0.5000 0.5000 0.4107 ( 6596 PWs) bands (ev): -25.9005 -25.9005 -25.9005 -25.9005 -25.8966 -25.8966 -25.8966 -25.8966 -9.6105 -9.6105 -9.6097 -9.6097 -9.5995 -9.5995 -9.5985 -9.5985 -8.1275 -8.1275 -8.1187 -8.1187 -8.1010 -8.1010 -8.0958 -8.0958 -7.8068 -7.8068 -7.8036 -7.8036 -7.7973 -7.7973 -7.7882 -7.7882 -4.4623 -4.4623 -4.4621 -4.4621 -4.3947 -4.3947 -4.3945 -4.3945 2.8731 2.8731 2.8756 2.8756 3.0149 3.0149 3.0186 3.0186 k = 0.5000 0.5000 0.4286 ( 6596 PWs) bands (ev): -25.9002 -25.9002 -25.9002 -25.9002 -25.8970 -25.8970 -25.8970 -25.8970 -9.6099 -9.6099 -9.6091 -9.6091 -9.6010 -9.6010 -9.6000 -9.6000 -8.1264 -8.1264 -8.1171 -8.1171 -8.1036 -8.1036 -8.0988 -8.0988 -7.8044 -7.8044 -7.8016 -7.8016 -7.7969 -7.7969 -7.7873 -7.7873 -4.4560 -4.4560 -4.4559 -4.4559 -4.4017 -4.4017 -4.4015 -4.4015 2.8897 2.8897 2.8923 2.8923 3.0045 3.0045 3.0081 3.0081 k = 0.5000 0.5000 0.4464 ( 6596 PWs) bands (ev): -25.8998 -25.8998 -25.8998 -25.8998 -25.8974 -25.8974 -25.8974 -25.8974 -9.6091 -9.6091 -9.6083 -9.6083 -9.6024 -9.6024 -9.6014 -9.6014 -8.1253 -8.1253 -8.1153 -8.1153 -8.1058 -8.1058 -8.1017 -8.1017 -7.8023 -7.8023 -7.8001 -7.8001 -7.7967 -7.7967 -7.7866 -7.7866 -4.4496 -4.4496 -4.4495 -4.4495 -4.4087 -4.4087 -4.4085 -4.4085 2.9060 2.9060 2.9088 2.9088 2.9930 2.9930 2.9964 2.9964 k = 0.5000 0.5000 0.4643 ( 6596 PWs) bands (ev): -25.8994 -25.8994 -25.8994 -25.8994 -25.8978 -25.8978 -25.8978 -25.8978 -9.6082 -9.6082 -9.6075 -9.6075 -9.6038 -9.6038 -9.6027 -9.6027 -8.1244 -8.1244 -8.1134 -8.1134 -8.1076 -8.1076 -8.1043 -8.1043 -7.8006 -7.8006 -7.7990 -7.7990 -7.7969 -7.7969 -7.7861 -7.7861 -4.4430 -4.4430 -4.4429 -4.4429 -4.4157 -4.4157 -4.4155 -4.4155 2.9220 2.9220 2.9250 2.9250 2.9805 2.9805 2.9838 2.9838 k = 0.5000 0.5000 0.4821 ( 6596 PWs) bands (ev): -25.8990 -25.8990 -25.8990 -25.8990 -25.8982 -25.8982 -25.8982 -25.8982 -9.6073 -9.6073 -9.6067 -9.6067 -9.6050 -9.6050 -9.6038 -9.6038 -8.1237 -8.1237 -8.1114 -8.1114 -8.1088 -8.1088 -8.1068 -8.1068 -7.7992 -7.7992 -7.7983 -7.7983 -7.7974 -7.7974 -7.7858 -7.7858 -4.4363 -4.4363 -4.4362 -4.4362 -4.4227 -4.4227 -4.4225 -4.4225 2.9373 2.9373 2.9407 2.9407 2.9672 2.9672 2.9702 2.9702 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -25.8986 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6063 -9.6045 -9.6045 -8.1235 -8.1235 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -8.1092 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7982 -7.7857 -7.7857 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4296 -4.4293 -4.4293 2.9494 2.9494 2.9557 2.9557 2.9557 2.9557 2.9557 2.9557 Writing output data file CO.save init_run : 1.65s CPU 11.44s WALL ( 1 calls) electrons : 456.05s CPU 463.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.31s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 456.02s CPU 463.11s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.16s CPU 0.58s WALL ( 1 calls) newd : 0.21s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 219 calls) cegterg : 429.18s CPU 433.03s WALL ( 500 calls) Called by sum_band: Called by *egterg: h_psi : 190.30s CPU 195.95s WALL ( 9416 calls) s_psi : 12.56s CPU 13.04s WALL ( 9416 calls) g_psi : 0.71s CPU 0.73s WALL ( 8697 calls) cdiaghg : 151.94s CPU 150.04s WALL ( 8916 calls) cegterg:over : 44.26s CPU 41.76s WALL ( 8697 calls) cegterg:upda : 11.75s CPU 14.61s WALL ( 8697 calls) cegterg:last : 9.57s CPU 10.13s WALL ( 1433 calls) Called by h_psi: h_psi:vloc : 155.22s CPU 159.49s WALL ( 9416 calls) h_psi:vnl : 34.83s CPU 35.85s WALL ( 9416 calls) add_vuspsi : 8.57s CPU 11.35s WALL ( 9416 calls) General routines calbec : 26.25s CPU 24.44s WALL ( 9416 calls) fft : 0.19s CPU 1.11s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 146.69s CPU 147.82s WALL ( 834020 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.06s CPU 1.91s WALL ( 438 calls) Parallel routines fft_scatter : 101.36s CPU 101.61s WALL ( 834043 calls) PWSCF : 8m18.78s CPU 10m22.49s WALL This run was terminated on: 18:14:37 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=