Program PWSCF v.5.1.1 starts on 19Jul2015 at 21:51:51 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: ./SiO2.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 47 27 7 2389 1049 158 Max 49 28 9 2394 1068 168 Sum 2285 1321 385 114791 50737 7879 bravais-lattice index = 14 lattice parameter (alat) = 9.4176 a.u. unit-cell volume = 1165.6650 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.417638 celldm(2)= 1.000000 celldm(3)= 1.395557 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 1.395557 ) 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 0.716560 ) 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 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 1141 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) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0033784 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0033784 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0033784 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0033784 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0033784 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0033784 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0033784 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0033784 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033784 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0033784 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0033784 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0033784 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0033784 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0033784 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0033784 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0033784 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0033784 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0033784 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0033784 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0033784 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0033784 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0033784 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0033784 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0033784 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0033784 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0033784 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0033784 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0033784 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0033784 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0033784 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0033784 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0033784 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0033784 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0033784 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0033784 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0033784 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0033784 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0033784 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0033784 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0033784 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0033784 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0033784 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0033784 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0033784 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0033784 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0033784 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0033784 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 68) = ( 0.4888889 0.4888889 -0.0000000), wk = 0.0033784 k( 69) = ( 0.4777778 0.4777778 -0.0000000), wk = 0.0033784 k( 70) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0033784 k( 71) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0033784 k( 72) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0033784 k( 73) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0033784 k( 74) = ( 0.4222222 0.4222222 -0.0000000), wk = 0.0033784 k( 75) = ( 0.4111111 0.4111111 -0.0000000), wk = 0.0033784 k( 76) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033784 k( 77) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0033784 k( 78) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0033784 k( 79) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0033784 k( 80) = ( 0.3555556 0.3555556 -0.0000000), wk = 0.0033784 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0033784 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 83) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0033784 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0033784 k( 85) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033784 k( 86) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0033784 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033784 k( 88) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033784 k( 89) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0033784 k( 90) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0033784 k( 91) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033784 k( 92) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033784 k( 93) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0033784 k( 94) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0033784 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033784 k( 101) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0033784 k( 102) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033784 k( 103) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0155774), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0311548), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0467321), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0623095), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0778869), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0934643), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.1090417), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1246190), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1401964), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1557738), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1713512), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1869286), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2025060), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.2180833), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2336607), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.2492381), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.2648155), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2803929), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2959702), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.3115476), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.3271250), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.3427024), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.3582798), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.3582798), wk = 0.0033784 k( 138) = ( 0.0000000 0.0156250 0.3582798), wk = 0.0033784 k( 139) = ( 0.0000000 0.0312500 0.3582798), wk = 0.0033784 k( 140) = ( 0.0000000 0.0468750 0.3582798), wk = 0.0033784 k( 141) = ( 0.0000000 0.0625000 0.3582798), wk = 0.0033784 k( 142) = ( 0.0000000 0.0781250 0.3582798), wk = 0.0033784 k( 143) = ( 0.0000000 0.0937500 0.3582798), wk = 0.0033784 k( 144) = ( 0.0000000 0.1093750 0.3582798), wk = 0.0033784 k( 145) = ( 0.0000000 0.1250000 0.3582798), wk = 0.0033784 k( 146) = ( 0.0000000 0.1406250 0.3582798), wk = 0.0033784 k( 147) = ( 0.0000000 0.1562500 0.3582798), wk = 0.0033784 k( 148) = ( 0.0000000 0.1718750 0.3582798), wk = 0.0033784 k( 149) = ( 0.0000000 0.1875000 0.3582798), wk = 0.0033784 k( 150) = ( 0.0000000 0.2031250 0.3582798), wk = 0.0033784 k( 151) = ( 0.0000000 0.2187500 0.3582798), wk = 0.0033784 k( 152) = ( 0.0000000 0.2343750 0.3582798), wk = 0.0033784 k( 153) = ( 0.0000000 0.2500000 0.3582798), wk = 0.0033784 k( 154) = ( 0.0000000 0.2656250 0.3582798), wk = 0.0033784 k( 155) = ( 0.0000000 0.2812500 0.3582798), wk = 0.0033784 k( 156) = ( 0.0000000 0.2968750 0.3582798), wk = 0.0033784 k( 157) = ( 0.0000000 0.3125000 0.3582798), wk = 0.0033784 k( 158) = ( 0.0000000 0.3281250 0.3582798), wk = 0.0033784 k( 159) = ( 0.0000000 0.3437500 0.3582798), wk = 0.0033784 k( 160) = ( 0.0000000 0.3593750 0.3582798), wk = 0.0033784 k( 161) = ( 0.0000000 0.3750000 0.3582798), wk = 0.0033784 k( 162) = ( 0.0000000 0.3906250 0.3582798), wk = 0.0033784 k( 163) = ( 0.0000000 0.4062500 0.3582798), wk = 0.0033784 k( 164) = ( 0.0000000 0.4218750 0.3582798), wk = 0.0033784 k( 165) = ( 0.0000000 0.4375000 0.3582798), wk = 0.0033784 k( 166) = ( 0.0000000 0.4531250 0.3582798), wk = 0.0033784 k( 167) = ( 0.0000000 0.4687500 0.3582798), wk = 0.0033784 k( 168) = ( 0.0000000 0.4843750 0.3582798), wk = 0.0033784 k( 169) = ( 0.0000000 0.5000000 0.3582798), wk = 0.0033784 k( 170) = ( 0.0000000 0.5000000 0.3582798), wk = 0.0033784 k( 171) = ( 0.0156250 0.5000000 0.3582798), wk = 0.0033784 k( 172) = ( 0.0312500 0.5000000 0.3582798), wk = 0.0033784 k( 173) = ( 0.0468750 0.5000000 0.3582798), wk = 0.0033784 k( 174) = ( 0.0625000 0.5000000 0.3582798), wk = 0.0033784 k( 175) = ( 0.0781250 0.5000000 0.3582798), wk = 0.0033784 k( 176) = ( 0.0937500 0.5000000 0.3582798), wk = 0.0033784 k( 177) = ( 0.1093750 0.5000000 0.3582798), wk = 0.0033784 k( 178) = ( 0.1250000 0.5000000 0.3582798), wk = 0.0033784 k( 179) = ( 0.1406250 0.5000000 0.3582798), wk = 0.0033784 k( 180) = ( 0.1562500 0.5000000 0.3582798), wk = 0.0033784 k( 181) = ( 0.1718750 0.5000000 0.3582798), wk = 0.0033784 k( 182) = ( 0.1875000 0.5000000 0.3582798), wk = 0.0033784 k( 183) = ( 0.2031250 0.5000000 0.3582798), wk = 0.0033784 k( 184) = ( 0.2187500 0.5000000 0.3582798), wk = 0.0033784 k( 185) = ( 0.2343750 0.5000000 0.3582798), wk = 0.0033784 k( 186) = ( 0.2500000 0.5000000 0.3582798), wk = 0.0033784 k( 187) = ( 0.2656250 0.5000000 0.3582798), wk = 0.0033784 k( 188) = ( 0.2812500 0.5000000 0.3582798), wk = 0.0033784 k( 189) = ( 0.2968750 0.5000000 0.3582798), wk = 0.0033784 k( 190) = ( 0.3125000 0.5000000 0.3582798), wk = 0.0033784 k( 191) = ( 0.3281250 0.5000000 0.3582798), wk = 0.0033784 k( 192) = ( 0.3437500 0.5000000 0.3582798), wk = 0.0033784 k( 193) = ( 0.3593750 0.5000000 0.3582798), wk = 0.0033784 k( 194) = ( 0.3750000 0.5000000 0.3582798), wk = 0.0033784 k( 195) = ( 0.3906250 0.5000000 0.3582798), wk = 0.0033784 k( 196) = ( 0.4062500 0.5000000 0.3582798), wk = 0.0033784 k( 197) = ( 0.4218750 0.5000000 0.3582798), wk = 0.0033784 k( 198) = ( 0.4375000 0.5000000 0.3582798), wk = 0.0033784 k( 199) = ( 0.4531250 0.5000000 0.3582798), wk = 0.0033784 k( 200) = ( 0.4687500 0.5000000 0.3582798), wk = 0.0033784 k( 201) = ( 0.4843750 0.5000000 0.3582798), wk = 0.0033784 k( 202) = ( 0.5000000 0.5000000 0.3582798), wk = 0.0033784 k( 203) = ( 0.5000000 0.5000000 0.3582798), wk = 0.0033784 k( 204) = ( 0.4888889 0.4888889 0.3582798), wk = 0.0033784 k( 205) = ( 0.4777778 0.4777778 0.3582798), wk = 0.0033784 k( 206) = ( 0.4666667 0.4666667 0.3582798), wk = 0.0033784 k( 207) = ( 0.4555556 0.4555556 0.3582798), wk = 0.0033784 k( 208) = ( 0.4444444 0.4444444 0.3582798), wk = 0.0033784 k( 209) = ( 0.4333333 0.4333333 0.3582798), wk = 0.0033784 k( 210) = ( 0.4222222 0.4222222 0.3582798), wk = 0.0033784 k( 211) = ( 0.4111111 0.4111111 0.3582798), wk = 0.0033784 k( 212) = ( 0.4000000 0.4000000 0.3582798), wk = 0.0033784 k( 213) = ( 0.3888889 0.3888889 0.3582798), wk = 0.0033784 k( 214) = ( 0.3777778 0.3777778 0.3582798), wk = 0.0033784 k( 215) = ( 0.3666667 0.3666667 0.3582798), wk = 0.0033784 k( 216) = ( 0.3555556 0.3555556 0.3582798), wk = 0.0033784 k( 217) = ( 0.3444444 0.3444444 0.3582798), wk = 0.0033784 k( 218) = ( 0.3333333 0.3333333 0.3582798), wk = 0.0033784 k( 219) = ( 0.3222222 0.3222222 0.3582798), wk = 0.0033784 k( 220) = ( 0.3111111 0.3111111 0.3582798), wk = 0.0033784 k( 221) = ( 0.3000000 0.3000000 0.3582798), wk = 0.0033784 k( 222) = ( 0.2888889 0.2888889 0.3582798), wk = 0.0033784 k( 223) = ( 0.2777778 0.2777778 0.3582798), wk = 0.0033784 k( 224) = ( 0.2666667 0.2666667 0.3582798), wk = 0.0033784 k( 225) = ( 0.2555556 0.2555556 0.3582798), wk = 0.0033784 k( 226) = ( 0.2444444 0.2444444 0.3582798), wk = 0.0033784 k( 227) = ( 0.2333333 0.2333333 0.3582798), wk = 0.0033784 k( 228) = ( 0.2222222 0.2222222 0.3582798), wk = 0.0033784 k( 229) = ( 0.2111111 0.2111111 0.3582798), wk = 0.0033784 k( 230) = ( 0.2000000 0.2000000 0.3582798), wk = 0.0033784 k( 231) = ( 0.1888889 0.1888889 0.3582798), wk = 0.0033784 k( 232) = ( 0.1777778 0.1777778 0.3582798), wk = 0.0033784 k( 233) = ( 0.1666667 0.1666667 0.3582798), wk = 0.0033784 k( 234) = ( 0.1555556 0.1555556 0.3582798), wk = 0.0033784 k( 235) = ( 0.1444444 0.1444444 0.3582798), wk = 0.0033784 k( 236) = ( 0.1333333 0.1333333 0.3582798), wk = 0.0033784 k( 237) = ( 0.1222222 0.1222222 0.3582798), wk = 0.0033784 k( 238) = ( 0.1111111 0.1111111 0.3582798), wk = 0.0033784 k( 239) = ( 0.1000000 0.1000000 0.3582798), wk = 0.0033784 k( 240) = ( 0.0888889 0.0888889 0.3582798), wk = 0.0033784 k( 241) = ( 0.0777778 0.0777778 0.3582798), wk = 0.0033784 k( 242) = ( 0.0666667 0.0666667 0.3582798), wk = 0.0033784 k( 243) = ( 0.0555556 0.0555556 0.3582798), wk = 0.0033784 k( 244) = ( 0.0444444 0.0444444 0.3582798), wk = 0.0033784 k( 245) = ( 0.0333333 0.0333333 0.3582798), wk = 0.0033784 k( 246) = ( 0.0222222 0.0222222 0.3582798), wk = 0.0033784 k( 247) = ( 0.0111111 0.0111111 0.3582798), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.3582798), wk = 0.0033784 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 250) = ( 0.0000000 0.5000000 0.0155774), wk = 0.0033784 k( 251) = ( 0.0000000 0.5000000 0.0311548), wk = 0.0033784 k( 252) = ( 0.0000000 0.5000000 0.0467321), wk = 0.0033784 k( 253) = ( 0.0000000 0.5000000 0.0623095), wk = 0.0033784 k( 254) = ( 0.0000000 0.5000000 0.0778869), wk = 0.0033784 k( 255) = ( 0.0000000 0.5000000 0.0934643), wk = 0.0033784 k( 256) = ( 0.0000000 0.5000000 0.1090417), wk = 0.0033784 k( 257) = ( 0.0000000 0.5000000 0.1246190), wk = 0.0033784 k( 258) = ( 0.0000000 0.5000000 0.1401964), wk = 0.0033784 k( 259) = ( 0.0000000 0.5000000 0.1557738), wk = 0.0033784 k( 260) = ( 0.0000000 0.5000000 0.1713512), wk = 0.0033784 k( 261) = ( 0.0000000 0.5000000 0.1869286), wk = 0.0033784 k( 262) = ( 0.0000000 0.5000000 0.2025060), wk = 0.0033784 k( 263) = ( 0.0000000 0.5000000 0.2180833), wk = 0.0033784 k( 264) = ( 0.0000000 0.5000000 0.2336607), wk = 0.0033784 k( 265) = ( 0.0000000 0.5000000 0.2492381), wk = 0.0033784 k( 266) = ( 0.0000000 0.5000000 0.2648155), wk = 0.0033784 k( 267) = ( 0.0000000 0.5000000 0.2803929), wk = 0.0033784 k( 268) = ( 0.0000000 0.5000000 0.2959702), wk = 0.0033784 k( 269) = ( 0.0000000 0.5000000 0.3115476), wk = 0.0033784 k( 270) = ( 0.0000000 0.5000000 0.3271250), wk = 0.0033784 k( 271) = ( 0.0000000 0.5000000 0.3427024), wk = 0.0033784 k( 272) = ( 0.0000000 0.5000000 0.3582798), wk = 0.0033784 k( 273) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 274) = ( 0.5000000 0.5000000 0.0155774), wk = 0.0033784 k( 275) = ( 0.5000000 0.5000000 0.0311548), wk = 0.0033784 k( 276) = ( 0.5000000 0.5000000 0.0467321), wk = 0.0033784 k( 277) = ( 0.5000000 0.5000000 0.0623095), wk = 0.0033784 k( 278) = ( 0.5000000 0.5000000 0.0778869), wk = 0.0033784 k( 279) = ( 0.5000000 0.5000000 0.0934643), wk = 0.0033784 k( 280) = ( 0.5000000 0.5000000 0.1090417), wk = 0.0033784 k( 281) = ( 0.5000000 0.5000000 0.1246190), wk = 0.0033784 k( 282) = ( 0.5000000 0.5000000 0.1401964), wk = 0.0033784 k( 283) = ( 0.5000000 0.5000000 0.1557738), wk = 0.0033784 k( 284) = ( 0.5000000 0.5000000 0.1713512), wk = 0.0033784 k( 285) = ( 0.5000000 0.5000000 0.1869286), wk = 0.0033784 k( 286) = ( 0.5000000 0.5000000 0.2025060), wk = 0.0033784 k( 287) = ( 0.5000000 0.5000000 0.2180833), wk = 0.0033784 k( 288) = ( 0.5000000 0.5000000 0.2336607), wk = 0.0033784 k( 289) = ( 0.5000000 0.5000000 0.2492381), wk = 0.0033784 k( 290) = ( 0.5000000 0.5000000 0.2648155), wk = 0.0033784 k( 291) = ( 0.5000000 0.5000000 0.2803929), wk = 0.0033784 k( 292) = ( 0.5000000 0.5000000 0.2959702), wk = 0.0033784 k( 293) = ( 0.5000000 0.5000000 0.3115476), wk = 0.0033784 k( 294) = ( 0.5000000 0.5000000 0.3271250), wk = 0.0033784 k( 295) = ( 0.5000000 0.5000000 0.3427024), wk = 0.0033784 k( 296) = ( 0.5000000 0.5000000 0.3582798), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0033784 k( 3) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0033784 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0033784 k( 6) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0033784 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0033784 k( 9) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0033784 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0033784 k( 11) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0033784 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0033784 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0033784 k( 14) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0033784 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0033784 k( 16) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0033784 k( 17) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0033784 k( 18) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0033784 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0033784 k( 20) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0033784 k( 21) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0033784 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0033784 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0033784 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0033784 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0033784 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0033784 k( 27) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0033784 k( 28) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0033784 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0033784 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0033784 k( 31) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0033784 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0033784 k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0033784 k( 37) = ( 0.0468750 0.5000000 0.0000000), wk = 0.0033784 k( 38) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0033784 k( 39) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0033784 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0033784 k( 42) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0033784 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0033784 k( 44) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0033784 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0033784 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0033784 k( 47) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0033784 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0033784 k( 49) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0033784 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033784 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0033784 k( 52) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0033784 k( 53) = ( 0.2968750 0.5000000 0.0000000), wk = 0.0033784 k( 54) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0033784 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0033784 k( 57) = ( 0.3593750 0.5000000 0.0000000), wk = 0.0033784 k( 58) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0033784 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0033784 k( 60) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0033784 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0033784 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0033784 k( 63) = ( 0.4531250 0.5000000 0.0000000), wk = 0.0033784 k( 64) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0033784 k( 65) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0033784 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 68) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0033784 k( 69) = ( 0.4777778 0.4777778 0.0000000), wk = 0.0033784 k( 70) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0033784 k( 71) = ( 0.4555556 0.4555556 0.0000000), wk = 0.0033784 k( 72) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0033784 k( 73) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0033784 k( 74) = ( 0.4222222 0.4222222 0.0000000), wk = 0.0033784 k( 75) = ( 0.4111111 0.4111111 0.0000000), wk = 0.0033784 k( 76) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0033784 k( 77) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0033784 k( 78) = ( 0.3777778 0.3777778 0.0000000), wk = 0.0033784 k( 79) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0033784 k( 80) = ( 0.3555556 0.3555556 0.0000000), wk = 0.0033784 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0033784 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 83) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0033784 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0033784 k( 85) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033784 k( 86) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0033784 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033784 k( 88) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033784 k( 89) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0033784 k( 90) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0033784 k( 91) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0033784 k( 92) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033784 k( 93) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0033784 k( 94) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033784 k( 95) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0033784 k( 96) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0033784 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033784 k( 98) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0033784 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0033784 k( 101) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0033784 k( 102) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033784 k( 103) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033784 k( 104) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0033784 k( 105) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0033784 k( 106) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0033784 k( 107) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033784 k( 108) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0033784 k( 109) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033784 k( 110) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0033784 k( 111) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0033784 k( 139) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0033784 k( 140) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0033784 k( 141) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0033784 k( 142) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0033784 k( 143) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0033784 k( 144) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0033784 k( 145) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0033784 k( 146) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0033784 k( 147) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0033784 k( 148) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0033784 k( 149) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0033784 k( 150) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0033784 k( 151) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0033784 k( 152) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0033784 k( 153) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033784 k( 154) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0033784 k( 155) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0033784 k( 156) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0033784 k( 157) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0033784 k( 158) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0033784 k( 159) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0033784 k( 160) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0033784 k( 161) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0033784 k( 162) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0033784 k( 163) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0033784 k( 164) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0033784 k( 165) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0033784 k( 166) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0033784 k( 167) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0033784 k( 168) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0033784 k( 169) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0033784 k( 180) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0033784 k( 181) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0033784 k( 182) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0033784 k( 183) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0033784 k( 184) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0033784 k( 185) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0033784 k( 186) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033784 k( 187) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0033784 k( 188) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0033784 k( 189) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0033784 k( 190) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0033784 k( 191) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0033784 k( 192) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0033784 k( 193) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0033784 k( 194) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0033784 k( 195) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0033784 k( 196) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0033784 k( 197) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0033784 k( 198) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0033784 k( 199) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0033784 k( 200) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0033784 k( 201) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0033784 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 204) = ( 0.4888889 0.4888889 0.5000000), wk = 0.0033784 k( 205) = ( 0.4777778 0.4777778 0.5000000), wk = 0.0033784 k( 206) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0033784 k( 207) = ( 0.4555556 0.4555556 0.5000000), wk = 0.0033784 k( 208) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0033784 k( 209) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0033784 k( 210) = ( 0.4222222 0.4222222 0.5000000), wk = 0.0033784 k( 211) = ( 0.4111111 0.4111111 0.5000000), wk = 0.0033784 k( 212) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0033784 k( 213) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0033784 k( 214) = ( 0.3777778 0.3777778 0.5000000), wk = 0.0033784 k( 215) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0033784 k( 216) = ( 0.3555556 0.3555556 0.5000000), wk = 0.0033784 k( 217) = ( 0.3444444 0.3444444 0.5000000), wk = 0.0033784 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 219) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0033784 k( 220) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0033784 k( 221) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033784 k( 222) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0033784 k( 223) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033784 k( 224) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033784 k( 225) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0033784 k( 226) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0033784 k( 227) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033784 k( 228) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033784 k( 229) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0033784 k( 230) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033784 k( 231) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0033784 k( 232) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0033784 k( 233) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033784 k( 234) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0033784 k( 235) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0033784 k( 236) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033784 k( 237) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0033784 k( 238) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033784 k( 239) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033784 k( 240) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0033784 k( 241) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0033784 k( 242) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033784 k( 243) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033784 k( 244) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0033784 k( 245) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033784 k( 246) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0033784 k( 247) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 249) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 250) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0033784 k( 251) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0033784 k( 252) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0033784 k( 253) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0033784 k( 254) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0033784 k( 255) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0033784 k( 256) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0033784 k( 257) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0033784 k( 258) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0033784 k( 259) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0033784 k( 260) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0033784 k( 261) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0033784 k( 262) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0033784 k( 263) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0033784 k( 264) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0033784 k( 265) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0033784 k( 266) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0033784 k( 267) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0033784 k( 268) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0033784 k( 269) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0033784 k( 270) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0033784 k( 271) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0033784 k( 272) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 273) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 274) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0033784 k( 275) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0033784 k( 276) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0033784 k( 277) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0033784 k( 278) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0033784 k( 279) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0033784 k( 280) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0033784 k( 281) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0033784 k( 282) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0033784 k( 283) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0033784 k( 284) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0033784 k( 285) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0033784 k( 286) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0033784 k( 287) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0033784 k( 288) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0033784 k( 289) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0033784 k( 290) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0033784 k( 291) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0033784 k( 292) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0033784 k( 293) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0033784 k( 294) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0033784 k( 295) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0033784 k( 296) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 Dense grid: 114791 G-vectors FFT dimensions: ( 54, 54, 75) Smooth grid: 50737 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 286, 76) NL pseudopotentials 0.37 Mb ( 143, 168) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2391) G-vector shells 0.01 Mb ( 1163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 286, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 46.7 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 57.6 secs Computing kpt #: 3 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 68.6 secs Computing kpt #: 4 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 5 total cpu time spent up to now is 88.7 secs Computing kpt #: 6 total cpu time spent up to now is 98.3 secs Computing kpt #: 7 total cpu time spent up to now is 107.4 secs Computing kpt #: 8 total cpu time spent up to now is 116.4 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.2 secs Computing kpt #: 10 total cpu time spent up to now is 134.1 secs Computing kpt #: 11 total cpu time spent up to now is 142.2 secs Computing kpt #: 12 total cpu time spent up to now is 150.3 secs Computing kpt #: 13 total cpu time spent up to now is 158.4 secs Computing kpt #: 14 total cpu time spent up to now is 165.5 secs Computing kpt #: 15 total cpu time spent up to now is 173.2 secs Computing kpt #: 16 total cpu time spent up to now is 181.0 secs Computing kpt #: 17 total cpu time spent up to now is 189.7 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.8 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.0 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.1 secs Computing kpt #: 21 total cpu time spent up to now is 227.7 secs Computing kpt #: 22 total cpu time spent up to now is 236.1 secs Computing kpt #: 23 total cpu time spent up to now is 243.2 secs Computing kpt #: 24 total cpu time spent up to now is 250.0 secs Computing kpt #: 25 total cpu time spent up to now is 256.4 secs Computing kpt #: 26 total cpu time spent up to now is 262.4 secs Computing kpt #: 27 total cpu time spent up to now is 268.5 secs Computing kpt #: 28 total cpu time spent up to now is 274.5 secs Computing kpt #: 29 total cpu time spent up to now is 280.4 secs Computing kpt #: 30 total cpu time spent up to now is 286.0 secs Computing kpt #: 31 total cpu time spent up to now is 291.7 secs Computing kpt #: 32 total cpu time spent up to now is 297.1 secs Computing kpt #: 33 total cpu time spent up to now is 302.1 secs Computing kpt #: 34 total cpu time spent up to now is 307.2 secs Computing kpt #: 35 total cpu time spent up to now is 312.4 secs Computing kpt #: 36 total cpu time spent up to now is 317.5 secs Computing kpt #: 37 total cpu time spent up to now is 322.7 secs Computing kpt #: 38 total cpu time spent up to now is 328.0 secs Computing kpt #: 39 total cpu time spent up to now is 333.3 secs Computing kpt #: 40 total cpu time spent up to now is 338.7 secs Computing kpt #: 41 total cpu time spent up to now is 344.1 secs Computing kpt #: 42 total cpu time spent up to now is 349.5 secs Computing kpt #: 43 total cpu time spent up to now is 354.8 secs Computing kpt #: 44 total cpu time spent up to now is 360.2 secs Computing kpt #: 45 total cpu time spent up to now is 365.7 secs Computing kpt #: 46 total cpu time spent up to now is 371.2 secs Computing kpt #: 47 total cpu time spent up to now is 376.6 secs Computing kpt #: 48 total cpu time spent up to now is 382.1 secs Computing kpt #: 49 total cpu time spent up to now is 387.7 secs Computing kpt #: 50 total cpu time spent up to now is 393.3 secs Computing kpt #: 51 total cpu time spent up to now is 398.8 secs Computing kpt #: 52 total cpu time spent up to now is 404.4 secs Computing kpt #: 53 total cpu time spent up to now is 409.9 secs Computing kpt #: 54 total cpu time spent up to now is 415.4 secs Computing kpt #: 55 total cpu time spent up to now is 420.8 secs Computing kpt #: 56 total cpu time spent up to now is 426.2 secs Computing kpt #: 57 total cpu time spent up to now is 431.5 secs Computing kpt #: 58 total cpu time spent up to now is 436.9 secs Computing kpt #: 59 total cpu time spent up to now is 442.3 secs Computing kpt #: 60 total cpu time spent up to now is 447.8 secs Computing kpt #: 61 total cpu time spent up to now is 453.3 secs Computing kpt #: 62 total cpu time spent up to now is 458.9 secs Computing kpt #: 63 total cpu time spent up to now is 464.4 secs Computing kpt #: 64 total cpu time spent up to now is 469.9 secs Computing kpt #: 65 total cpu time spent up to now is 475.4 secs Computing kpt #: 66 total cpu time spent up to now is 480.8 secs Computing kpt #: 67 total cpu time spent up to now is 486.2 secs Computing kpt #: 68 total cpu time spent up to now is 491.8 secs Computing kpt #: 69 total cpu time spent up to now is 497.3 secs Computing kpt #: 70 total cpu time spent up to now is 502.8 secs Computing kpt #: 71 total cpu time spent up to now is 508.3 secs Computing kpt #: 72 total cpu time spent up to now is 513.8 secs Computing kpt #: 73 total cpu time spent up to now is 519.3 secs Computing kpt #: 74 total cpu time spent up to now is 524.8 secs Computing kpt #: 75 total cpu time spent up to now is 530.4 secs Computing kpt #: 76 total cpu time spent up to now is 535.9 secs Computing kpt #: 77 total cpu time spent up to now is 541.5 secs Computing kpt #: 78 total cpu time spent up to now is 547.3 secs Computing kpt #: 79 total cpu time spent up to now is 552.8 secs Computing kpt #: 80 total cpu time spent up to now is 558.5 secs Computing kpt #: 81 total cpu time spent up to now is 564.0 secs Computing kpt #: 82 total cpu time spent up to now is 570.0 secs Computing kpt #: 83 total cpu time spent up to now is 575.8 secs Computing kpt #: 84 total cpu time spent up to now is 581.9 secs Computing kpt #: 85 total cpu time spent up to now is 587.9 secs Computing kpt #: 86 total cpu time spent up to now is 594.0 secs Computing kpt #: 87 total cpu time spent up to now is 600.0 secs Computing kpt #: 88 total cpu time spent up to now is 606.0 secs Computing kpt #: 89 total cpu time spent up to now is 612.0 secs Computing kpt #: 90 total cpu time spent up to now is 618.0 secs Computing kpt #: 91 total cpu time spent up to now is 624.1 secs Computing kpt #: 92 total cpu time spent up to now is 630.1 secs Computing kpt #: 93 total cpu time spent up to now is 636.1 secs Computing kpt #: 94 total cpu time spent up to now is 642.1 secs Computing kpt #: 95 total cpu time spent up to now is 648.1 secs Computing kpt #: 96 total cpu time spent up to now is 654.2 secs Computing kpt #: 97 total cpu time spent up to now is 660.6 secs Computing kpt #: 98 total cpu time spent up to now is 667.2 secs Computing kpt #: 99 total cpu time spent up to now is 673.7 secs Computing kpt #: 100 total cpu time spent up to now is 680.3 secs Computing kpt #: 101 total cpu time spent up to now is 687.2 secs Computing kpt #: 102 total cpu time spent up to now is 693.9 secs Computing kpt #: 103 total cpu time spent up to now is 701.3 secs Computing kpt #: 104 total cpu time spent up to now is 708.9 secs Computing kpt #: 105 total cpu time spent up to now is 718.0 secs Computing kpt #: 106 total cpu time spent up to now is 727.1 secs Computing kpt #: 107 total cpu time spent up to now is 737.6 secs Computing kpt #: 108 total cpu time spent up to now is 746.7 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 757.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.8 secs Computing kpt #: 111 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 778.8 secs Computing kpt #: 112 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 789.4 secs Computing kpt #: 113 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 799.8 secs Computing kpt #: 114 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 810.6 secs Computing kpt #: 115 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 821.5 secs Computing kpt #: 116 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 832.2 secs Computing kpt #: 117 total cpu time spent up to now is 841.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 852.4 secs Computing kpt #: 119 total cpu time spent up to now is 862.3 secs Computing kpt #: 120 total cpu time spent up to now is 871.7 secs Computing kpt #: 121 total cpu time spent up to now is 880.5 secs Computing kpt #: 122 total cpu time spent up to now is 888.2 secs Computing kpt #: 123 total cpu time spent up to now is 894.9 secs Computing kpt #: 124 total cpu time spent up to now is 901.5 secs Computing kpt #: 125 total cpu time spent up to now is 907.7 secs Computing kpt #: 126 total cpu time spent up to now is 914.1 secs Computing kpt #: 127 total cpu time spent up to now is 920.4 secs Computing kpt #: 128 total cpu time spent up to now is 926.3 secs Computing kpt #: 129 total cpu time spent up to now is 932.4 secs Computing kpt #: 130 total cpu time spent up to now is 938.4 secs Computing kpt #: 131 total cpu time spent up to now is 944.3 secs Computing kpt #: 132 total cpu time spent up to now is 950.3 secs Computing kpt #: 133 total cpu time spent up to now is 956.2 secs Computing kpt #: 134 total cpu time spent up to now is 962.1 secs Computing kpt #: 135 total cpu time spent up to now is 968.1 secs Computing kpt #: 136 total cpu time spent up to now is 973.9 secs Computing kpt #: 137 total cpu time spent up to now is 979.7 secs Computing kpt #: 138 total cpu time spent up to now is 985.5 secs Computing kpt #: 139 total cpu time spent up to now is 991.6 secs Computing kpt #: 140 total cpu time spent up to now is 997.5 secs Computing kpt #: 141 total cpu time spent up to now is 1003.4 secs Computing kpt #: 142 total cpu time spent up to now is 1009.3 secs Computing kpt #: 143 total cpu time spent up to now is 1015.3 secs Computing kpt #: 144 total cpu time spent up to now is 1021.3 secs Computing kpt #: 145 total cpu time spent up to now is 1027.3 secs Computing kpt #: 146 total cpu time spent up to now is 1033.3 secs Computing kpt #: 147 total cpu time spent up to now is 1039.3 secs Computing kpt #: 148 total cpu time spent up to now is 1045.7 secs Computing kpt #: 149 total cpu time spent up to now is 1052.1 secs Computing kpt #: 150 total cpu time spent up to now is 1058.6 secs Computing kpt #: 151 total cpu time spent up to now is 1066.0 secs Computing kpt #: 152 total cpu time spent up to now is 1073.5 secs Computing kpt #: 153 total cpu time spent up to now is 1080.7 secs Computing kpt #: 154 total cpu time spent up to now is 1087.2 secs Computing kpt #: 155 total cpu time spent up to now is 1093.3 secs Computing kpt #: 156 total cpu time spent up to now is 1099.3 secs Computing kpt #: 157 total cpu time spent up to now is 1105.3 secs Computing kpt #: 158 total cpu time spent up to now is 1111.3 secs Computing kpt #: 159 total cpu time spent up to now is 1116.9 secs Computing kpt #: 160 total cpu time spent up to now is 1122.6 secs Computing kpt #: 161 total cpu time spent up to now is 1128.3 secs Computing kpt #: 162 total cpu time spent up to now is 1134.0 secs Computing kpt #: 163 total cpu time spent up to now is 1139.5 secs Computing kpt #: 164 total cpu time spent up to now is 1145.0 secs Computing kpt #: 165 total cpu time spent up to now is 1150.4 secs Computing kpt #: 166 total cpu time spent up to now is 1155.7 secs Computing kpt #: 167 total cpu time spent up to now is 1161.0 secs Computing kpt #: 168 total cpu time spent up to now is 1166.2 secs Computing kpt #: 169 total cpu time spent up to now is 1171.4 secs Computing kpt #: 170 total cpu time spent up to now is 1176.5 secs Computing kpt #: 171 total cpu time spent up to now is 1181.7 secs Computing kpt #: 172 total cpu time spent up to now is 1186.9 secs Computing kpt #: 173 total cpu time spent up to now is 1192.2 secs Computing kpt #: 174 total cpu time spent up to now is 1197.4 secs Computing kpt #: 175 total cpu time spent up to now is 1202.7 secs Computing kpt #: 176 total cpu time spent up to now is 1207.9 secs Computing kpt #: 177 total cpu time spent up to now is 1213.2 secs Computing kpt #: 178 total cpu time spent up to now is 1218.6 secs Computing kpt #: 179 total cpu time spent up to now is 1224.1 secs Computing kpt #: 180 total cpu time spent up to now is 1229.6 secs Computing kpt #: 181 total cpu time spent up to now is 1235.2 secs Computing kpt #: 182 total cpu time spent up to now is 1240.7 secs Computing kpt #: 183 total cpu time spent up to now is 1246.5 secs Computing kpt #: 184 total cpu time spent up to now is 1252.2 secs Computing kpt #: 185 total cpu time spent up to now is 1258.3 secs Computing kpt #: 186 total cpu time spent up to now is 1264.3 secs Computing kpt #: 187 total cpu time spent up to now is 1270.5 secs Computing kpt #: 188 total cpu time spent up to now is 1276.7 secs Computing kpt #: 189 total cpu time spent up to now is 1282.7 secs Computing kpt #: 190 total cpu time spent up to now is 1288.9 secs Computing kpt #: 191 total cpu time spent up to now is 1295.2 secs Computing kpt #: 192 total cpu time spent up to now is 1301.6 secs Computing kpt #: 193 total cpu time spent up to now is 1308.5 secs Computing kpt #: 194 total cpu time spent up to now is 1314.9 secs Computing kpt #: 195 total cpu time spent up to now is 1321.9 secs Computing kpt #: 196 total cpu time spent up to now is 1329.3 secs Computing kpt #: 197 total cpu time spent up to now is 1336.9 secs Computing kpt #: 198 total cpu time spent up to now is 1344.3 secs Computing kpt #: 199 total cpu time spent up to now is 1353.4 secs Computing kpt #: 200 total cpu time spent up to now is 1363.0 secs Computing kpt #: 201 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1374.1 secs Computing kpt #: 202 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1385.0 secs Computing kpt #: 203 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1396.2 secs Computing kpt #: 204 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1407.2 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1418.0 secs Computing kpt #: 206 total cpu time spent up to now is 1427.4 secs Computing kpt #: 207 total cpu time spent up to now is 1435.1 secs Computing kpt #: 208 total cpu time spent up to now is 1442.5 secs Computing kpt #: 209 total cpu time spent up to now is 1449.9 secs Computing kpt #: 210 total cpu time spent up to now is 1456.7 secs Computing kpt #: 211 total cpu time spent up to now is 1463.2 secs Computing kpt #: 212 total cpu time spent up to now is 1469.7 secs Computing kpt #: 213 total cpu time spent up to now is 1476.3 secs Computing kpt #: 214 total cpu time spent up to now is 1482.8 secs Computing kpt #: 215 total cpu time spent up to now is 1489.2 secs Computing kpt #: 216 total cpu time spent up to now is 1495.6 secs Computing kpt #: 217 total cpu time spent up to now is 1501.8 secs Computing kpt #: 218 total cpu time spent up to now is 1508.1 secs Computing kpt #: 219 total cpu time spent up to now is 1514.3 secs Computing kpt #: 220 total cpu time spent up to now is 1520.3 secs Computing kpt #: 221 total cpu time spent up to now is 1526.0 secs Computing kpt #: 222 total cpu time spent up to now is 1531.7 secs Computing kpt #: 223 total cpu time spent up to now is 1537.7 secs Computing kpt #: 224 total cpu time spent up to now is 1543.8 secs Computing kpt #: 225 total cpu time spent up to now is 1549.8 secs Computing kpt #: 226 total cpu time spent up to now is 1555.7 secs Computing kpt #: 227 total cpu time spent up to now is 1561.6 secs Computing kpt #: 228 total cpu time spent up to now is 1567.6 secs Computing kpt #: 229 total cpu time spent up to now is 1573.6 secs Computing kpt #: 230 total cpu time spent up to now is 1579.7 secs Computing kpt #: 231 total cpu time spent up to now is 1585.5 secs Computing kpt #: 232 total cpu time spent up to now is 1591.7 secs Computing kpt #: 233 total cpu time spent up to now is 1597.7 secs Computing kpt #: 234 total cpu time spent up to now is 1603.6 secs Computing kpt #: 235 total cpu time spent up to now is 1609.6 secs Computing kpt #: 236 total cpu time spent up to now is 1615.6 secs Computing kpt #: 237 total cpu time spent up to now is 1621.6 secs Computing kpt #: 238 total cpu time spent up to now is 1627.5 secs Computing kpt #: 239 total cpu time spent up to now is 1633.4 secs Computing kpt #: 240 total cpu time spent up to now is 1639.4 secs Computing kpt #: 241 total cpu time spent up to now is 1645.3 secs Computing kpt #: 242 total cpu time spent up to now is 1651.2 secs Computing kpt #: 243 total cpu time spent up to now is 1657.2 secs Computing kpt #: 244 total cpu time spent up to now is 1663.0 secs Computing kpt #: 245 total cpu time spent up to now is 1668.9 secs Computing kpt #: 246 total cpu time spent up to now is 1674.8 secs Computing kpt #: 247 total cpu time spent up to now is 1680.7 secs Computing kpt #: 248 total cpu time spent up to now is 1686.4 secs Computing kpt #: 249 total cpu time spent up to now is 1691.6 secs Computing kpt #: 250 total cpu time spent up to now is 1696.8 secs Computing kpt #: 251 total cpu time spent up to now is 1701.9 secs Computing kpt #: 252 total cpu time spent up to now is 1707.1 secs Computing kpt #: 253 total cpu time spent up to now is 1712.3 secs Computing kpt #: 254 total cpu time spent up to now is 1717.6 secs Computing kpt #: 255 total cpu time spent up to now is 1722.9 secs Computing kpt #: 256 total cpu time spent up to now is 1728.2 secs Computing kpt #: 257 total cpu time spent up to now is 1733.5 secs Computing kpt #: 258 total cpu time spent up to now is 1738.8 secs Computing kpt #: 259 total cpu time spent up to now is 1744.4 secs Computing kpt #: 260 total cpu time spent up to now is 1749.7 secs Computing kpt #: 261 total cpu time spent up to now is 1755.1 secs Computing kpt #: 262 total cpu time spent up to now is 1760.4 secs Computing kpt #: 263 total cpu time spent up to now is 1765.6 secs Computing kpt #: 264 total cpu time spent up to now is 1770.9 secs Computing kpt #: 265 total cpu time spent up to now is 1776.2 secs Computing kpt #: 266 total cpu time spent up to now is 1781.4 secs Computing kpt #: 267 total cpu time spent up to now is 1786.7 secs Computing kpt #: 268 total cpu time spent up to now is 1792.0 secs Computing kpt #: 269 total cpu time spent up to now is 1797.3 secs Computing kpt #: 270 total cpu time spent up to now is 1802.4 secs Computing kpt #: 271 total cpu time spent up to now is 1807.6 secs Computing kpt #: 272 total cpu time spent up to now is 1812.8 secs Computing kpt #: 273 total cpu time spent up to now is 1818.2 secs Computing kpt #: 274 total cpu time spent up to now is 1823.7 secs Computing kpt #: 275 total cpu time spent up to now is 1829.2 secs Computing kpt #: 276 total cpu time spent up to now is 1834.7 secs Computing kpt #: 277 total cpu time spent up to now is 1840.3 secs Computing kpt #: 278 total cpu time spent up to now is 1845.8 secs Computing kpt #: 279 total cpu time spent up to now is 1851.3 secs Computing kpt #: 280 total cpu time spent up to now is 1856.9 secs Computing kpt #: 281 total cpu time spent up to now is 1862.3 secs Computing kpt #: 282 total cpu time spent up to now is 1867.9 secs Computing kpt #: 283 total cpu time spent up to now is 1873.4 secs Computing kpt #: 284 total cpu time spent up to now is 1878.9 secs Computing kpt #: 285 total cpu time spent up to now is 1884.4 secs Computing kpt #: 286 total cpu time spent up to now is 1890.0 secs Computing kpt #: 287 total cpu time spent up to now is 1895.6 secs Computing kpt #: 288 total cpu time spent up to now is 1901.3 secs Computing kpt #: 289 total cpu time spent up to now is 1907.4 secs Computing kpt #: 290 total cpu time spent up to now is 1913.3 secs Computing kpt #: 291 total cpu time spent up to now is 1919.4 secs Computing kpt #: 292 total cpu time spent up to now is 1925.7 secs Computing kpt #: 293 total cpu time spent up to now is 1932.2 secs Computing kpt #: 294 total cpu time spent up to now is 1940.8 secs Computing kpt #: 295 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1951.8 secs Computing kpt #: 296 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1962.6 secs ethr = 1.56E-11, avg # of iterations = 53.4 total cpu time spent up to now is 1962.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6329 PWs) bands (ev): -18.4112 -18.4112 -17.4716 -17.4716 -17.4711 -17.4711 -16.1444 -16.1444 -16.1101 -16.1101 -16.0996 -16.0996 -16.0493 -16.0493 -16.0450 -16.0450 -8.6308 -8.6308 -6.4273 -6.4273 -6.4268 -6.4268 -4.7790 -4.7790 -4.5464 -4.5464 -4.5381 -4.5381 -4.0967 -4.0967 -3.8298 -3.8298 -1.8017 -1.8017 -1.6593 -1.6593 -1.6583 -1.6583 -1.4688 -1.4688 -1.2117 -1.2117 -0.8198 -0.8198 -0.7904 -0.7904 -0.7724 -0.7724 -0.3231 -0.3231 0.0637 0.0637 0.0673 0.0673 0.5956 0.5956 0.9451 0.9451 1.4343 1.4343 1.4513 1.4513 1.4545 1.4545 7.0928 7.0928 9.4365 9.4365 9.4442 9.4442 10.5883 10.5883 11.4627 11.4627 11.5549 11.5550 k = 0.0000 0.0156-0.0000 ( 6339 PWs) bands (ev): -18.4107 -18.4107 -17.4720 -17.4720 -17.4707 -17.4706 -16.1444 -16.1443 -16.1113 -16.1112 -16.0997 -16.0995 -16.0495 -16.0492 -16.0451 -16.0450 -8.6292 -8.6292 -6.4284 -6.4283 -6.4254 -6.4253 -4.7784 -4.7782 -4.5467 -4.5465 -4.5382 -4.5382 -4.0970 -4.0968 -3.8301 -3.8300 -1.8046 -1.8026 -1.6616 -1.6589 -1.6584 -1.6570 -1.4670 -1.4647 -1.2118 -1.2117 -0.8194 -0.8187 -0.7915 -0.7908 -0.7731 -0.7729 -0.3238 -0.3228 0.0627 0.0634 0.0674 0.0675 0.5951 0.5958 0.9439 0.9442 1.4305 1.4358 1.4471 1.4520 1.4545 1.4547 7.0953 7.0953 9.4375 9.4379 9.4454 9.4455 10.5889 10.5891 11.4595 11.4641 11.5534 11.5559 k = 0.0000 0.0312-0.0000 ( 6349 PWs) bands (ev): -18.4091 -18.4091 -17.4737 -17.4737 -17.4687 -17.4687 -16.1445 -16.1444 -16.1145 -16.1143 -16.1000 -16.0996 -16.0498 -16.0491 -16.0452 -16.0452 -8.6245 -8.6245 -6.4321 -6.4320 -6.4205 -6.4205 -4.7766 -4.7760 -4.5476 -4.5473 -4.5382 -4.5381 -4.0977 -4.0974 -3.8311 -3.8309 -1.8110 -1.8073 -1.6651 -1.6586 -1.6571 -1.6562 -1.4595 -1.4551 -1.2119 -1.2118 -0.8178 -0.8164 -0.7943 -0.7933 -0.7747 -0.7740 -0.3249 -0.3230 0.0589 0.0598 0.0697 0.0702 0.5943 0.5957 0.9407 0.9414 1.4243 1.4352 1.4402 1.4508 1.4537 1.4539 7.1027 7.1027 9.4409 9.4416 9.4493 9.4493 10.5910 10.5913 11.4558 11.4640 11.5490 11.5504 k = 0.0000 0.0469-0.0000 ( 6361 PWs) bands (ev): -18.4064 -18.4064 -17.4765 -17.4765 -17.4654 -17.4654 -16.1447 -16.1444 -16.1198 -16.1196 -16.1004 -16.0998 -16.0501 -16.0491 -16.0455 -16.0455 -8.6167 -8.6167 -6.4383 -6.4381 -6.4124 -6.4123 -4.7733 -4.7725 -4.5498 -4.5495 -4.5374 -4.5370 -4.0989 -4.0985 -3.8326 -3.8324 -1.8206 -1.8157 -1.6685 -1.6593 -1.6550 -1.6546 -1.4470 -1.4412 -1.2122 -1.2120 -0.8150 -0.8132 -0.7999 -0.7991 -0.7760 -0.7743 -0.3263 -0.3235 0.0518 0.0529 0.0744 0.0754 0.5929 0.5950 0.9357 0.9368 1.4155 1.4294 1.4341 1.4489 1.4511 1.4520 7.1150 7.1151 9.4464 9.4473 9.4559 9.4561 10.5943 10.5948 11.4525 11.4633 11.5387 11.5392 k = 0.0000 0.0625-0.0000 ( 6347 PWs) bands (ev): -18.4027 -18.4027 -17.4805 -17.4805 -17.4608 -17.4608 -16.1449 -16.1446 -16.1272 -16.1270 -16.1010 -16.1002 -16.0505 -16.0492 -16.0459 -16.0458 -8.6059 -8.6059 -6.4469 -6.4467 -6.4011 -6.4010 -4.7688 -4.7677 -4.5536 -4.5534 -4.5354 -4.5347 -4.1005 -4.0999 -3.8348 -3.8345 -1.8329 -1.8273 -1.6712 -1.6605 -1.6521 -1.6520 -1.4308 -1.4241 -1.2125 -1.2123 -0.8120 -0.8111 -0.8088 -0.8060 -0.7759 -0.7732 -0.3278 -0.3241 0.0421 0.0433 0.0812 0.0826 0.5903 0.5932 0.9295 0.9310 1.4039 1.4173 1.4299 1.4455 1.4472 1.4495 7.1322 7.1322 9.4538 9.4547 9.4655 9.4660 10.5989 10.5996 11.4505 11.4630 11.5226 11.5227 k = 0.0000 0.0781-0.0000 ( 6355 PWs) bands (ev): -18.3980 -18.3980 -17.4856 -17.4856 -17.4549 -17.4549 -16.1454 -16.1448 -16.1364 -16.1364 -16.1017 -16.1006 -16.0510 -16.0494 -16.0463 -16.0462 -8.5920 -8.5920 -6.4580 -6.4578 -6.3865 -6.3864 -4.7630 -4.7615 -4.5591 -4.5589 -4.5324 -4.5314 -4.1025 -4.1019 -3.8375 -3.8372 -1.8472 -1.8414 -1.6729 -1.6617 -1.6485 -1.6484 -1.4119 -1.4047 -1.2128 -1.2126 -0.8235 -0.8223 -0.8062 -0.8027 -0.7740 -0.7707 -0.3292 -0.3248 0.0299 0.0313 0.0899 0.0917 0.5860 0.5895 0.9226 0.9244 1.3897 1.4023 1.4239 1.4384 1.4444 1.4465 7.1542 7.1542 9.4629 9.4637 9.4781 9.4791 10.6045 10.6054 11.4502 11.4640 11.5004 11.5004 k = 0.0000 0.0938-0.0000 ( 6357 PWs) bands (ev): -18.3922 -18.3922 -17.4918 -17.4918 -17.4477 -17.4477 -16.1493 -16.1481 -16.1446 -16.1442 -16.1025 -16.1013 -16.0516 -16.0497 -16.0467 -16.0466 -8.5751 -8.5751 -6.4714 -6.4712 -6.3689 -6.3688 -4.7559 -4.7541 -4.5659 -4.5658 -4.5285 -4.5272 -4.1051 -4.1043 -3.8409 -3.8405 -1.8630 -1.8573 -1.6735 -1.6624 -1.6443 -1.6441 -1.3913 -1.3838 -1.2131 -1.2129 -0.8400 -0.8391 -0.8011 -0.7982 -0.7700 -0.7668 -0.3303 -0.3252 0.0155 0.0172 0.1005 0.1025 0.5790 0.5832 0.9157 0.9179 1.3729 1.3847 1.4159 1.4291 1.4415 1.4431 7.1808 7.1808 9.4737 9.4744 9.4938 9.4953 10.6110 10.6121 11.4509 11.4650 11.4724 11.4728 k = 0.0000 0.1094-0.0000 ( 6357 PWs) bands (ev): -18.3855 -18.3854 -17.4991 -17.4991 -17.4392 -17.4392 -16.1620 -16.1613 -16.1452 -16.1450 -16.1035 -16.1020 -16.0523 -16.0503 -16.0470 -16.0470 -8.5554 -8.5554 -6.4872 -6.4870 -6.3483 -6.3482 -4.7475 -4.7455 -4.5742 -4.5741 -4.5237 -4.5221 -4.1081 -4.1071 -3.8449 -3.8444 -1.8797 -1.8743 -1.6732 -1.6625 -1.6394 -1.6391 -1.3695 -1.3620 -1.2134 -1.2131 -0.8597 -0.8590 -0.7961 -0.7945 -0.7635 -0.7612 -0.3308 -0.3250 -0.0007 0.0012 0.1127 0.1149 0.5687 0.5734 0.9097 0.9122 1.3536 1.3647 1.4057 1.4178 1.4381 1.4394 7.2120 7.2120 9.4861 9.4868 9.5125 9.5144 10.6181 10.6194 11.4309 11.4332 11.4597 11.4726 k = 0.0000 0.1250-0.0000 ( 6361 PWs) bands (ev): -18.3776 -18.3776 -17.5075 -17.5075 -17.4294 -17.4294 -16.1770 -16.1765 -16.1456 -16.1453 -16.1046 -16.1030 -16.0531 -16.0509 -16.0474 -16.0472 -8.5328 -8.5328 -6.5054 -6.5051 -6.3247 -6.3246 -4.7380 -4.7357 -4.5838 -4.5838 -4.5181 -4.5162 -4.1116 -4.1105 -3.8495 -3.8490 -1.8967 -1.8917 -1.6721 -1.6619 -1.6340 -1.6336 -1.3471 -1.3397 -1.2135 -1.2132 -0.8826 -0.8820 -0.7919 -0.7918 -0.7546 -0.7538 -0.3303 -0.3240 -0.0186 -0.0165 0.1265 0.1289 0.5541 0.5593 0.9053 0.9079 1.3319 1.3424 1.3936 1.4047 1.4344 1.4354 7.2476 7.2476 9.5002 9.5009 9.5340 9.5363 10.6255 10.6270 11.3862 11.3875 11.4657 11.4799 k = 0.0000 0.1406-0.0000 ( 6371 PWs) bands (ev): -18.3688 -18.3688 -17.5170 -17.5170 -17.4184 -17.4183 -16.1940 -16.1935 -16.1460 -16.1456 -16.1059 -16.1041 -16.0540 -16.0517 -16.0477 -16.0475 -8.5075 -8.5075 -6.5258 -6.5255 -6.2983 -6.2981 -4.7274 -4.7247 -4.5948 -4.5947 -4.5117 -4.5095 -4.1156 -4.1144 -3.8548 -3.8541 -1.9137 -1.9091 -1.6702 -1.6608 -1.6281 -1.6276 -1.3244 -1.3170 -1.2136 -1.2132 -0.9083 -0.9078 -0.7903 -0.7884 -0.7447 -0.7438 -0.3285 -0.3218 -0.0379 -0.0356 0.1418 0.1443 0.5348 0.5405 0.9030 0.9057 1.3081 1.3179 1.3796 1.3898 1.4302 1.4310 7.2875 7.2875 9.5160 9.5166 9.5583 9.5609 10.6329 10.6347 11.3319 11.3328 11.4753 11.4898 k = 0.0000 0.1562-0.0000 ( 6371 PWs) bands (ev): -18.3591 -18.3591 -17.5276 -17.5276 -17.4061 -17.4060 -16.2127 -16.2122 -16.1464 -16.1459 -16.1073 -16.1054 -16.0549 -16.0525 -16.0481 -16.0477 -8.4796 -8.4795 -6.5484 -6.5480 -6.2691 -6.2689 -4.7157 -4.7126 -4.6071 -4.6071 -4.5045 -4.5020 -4.1201 -4.1187 -3.8607 -3.8599 -1.9303 -1.9261 -1.6679 -1.6591 -1.6218 -1.6213 -1.3015 -1.2943 -1.2133 -1.2129 -0.9367 -0.9363 -0.7895 -0.7861 -0.7340 -0.7317 -0.3250 -0.3180 -0.0583 -0.0557 0.1584 0.1610 0.5106 0.5165 0.9032 0.9058 1.2822 1.2914 1.3639 1.3733 1.4255 1.4262 7.3315 7.3316 9.5333 9.5339 9.5852 9.5882 10.6400 10.6420 11.2688 11.2694 11.4879 11.5025 k = 0.0000 0.1719-0.0000 ( 6379 PWs) bands (ev): -18.3483 -18.3483 -17.5392 -17.5391 -17.3925 -17.3924 -16.2330 -16.2326 -16.1468 -16.1462 -16.1089 -16.1068 -16.0558 -16.0534 -16.0484 -16.0480 -8.4491 -8.4491 -6.5731 -6.5728 -6.2373 -6.2371 -4.7030 -4.6996 -4.6208 -4.6207 -4.4965 -4.4937 -4.1251 -4.1236 -3.8672 -3.8664 -1.9462 -1.9423 -1.6650 -1.6569 -1.6153 -1.6147 -1.2786 -1.2717 -1.2129 -1.2124 -0.9678 -0.9673 -0.7894 -0.7847 -0.7224 -0.7187 -0.3193 -0.3121 -0.0796 -0.0769 0.1763 0.1790 0.4815 0.4876 0.9058 0.9082 1.2544 1.2631 1.3466 1.3553 1.4204 1.4210 7.3796 7.3796 9.5520 9.5527 9.6147 9.6180 10.6465 10.6488 11.1975 11.1979 11.5034 11.5180 k = 0.0000 0.1875-0.0000 ( 6375 PWs) bands (ev): -18.3366 -18.3366 -17.5518 -17.5517 -17.3777 -17.3777 -16.2549 -16.2545 -16.1472 -16.1465 -16.1106 -16.1085 -16.0567 -16.0541 -16.0487 -16.0482 -8.4163 -8.4163 -6.6000 -6.5996 -6.2030 -6.2028 -4.6894 -4.6856 -4.6358 -4.6357 -4.4877 -4.4846 -4.1307 -4.1290 -3.8744 -3.8734 -1.9611 -1.9575 -1.6617 -1.6542 -1.6087 -1.6080 -1.2557 -1.2490 -1.2120 -1.2116 -1.0011 -1.0007 -0.7901 -0.7843 -0.7101 -0.7053 -0.3111 -0.3039 -0.1017 -0.0987 0.1955 0.1982 0.4478 0.4540 0.9104 0.9126 1.2249 1.2333 1.3278 1.3358 1.4149 1.4155 7.4315 7.4315 9.5722 9.5729 9.6466 9.6501 10.6520 10.6546 11.1190 11.1192 11.5219 11.5364 k = 0.0000 0.2031-0.0000 ( 6379 PWs) bands (ev): -18.3240 -18.3240 -17.5654 -17.5653 -17.3618 -17.3617 -16.2783 -16.2778 -16.1476 -16.1469 -16.1125 -16.1103 -16.0575 -16.0549 -16.0490 -16.0484 -8.3812 -8.3811 -6.6288 -6.6284 -6.1663 -6.1661 -4.6755 -4.6711 -4.6519 -4.6516 -4.4781 -4.4747 -4.1368 -4.1350 -3.8822 -3.8812 -1.9748 -1.9715 -1.6581 -1.6512 -1.6021 -1.6013 -1.2328 -1.2264 -1.2109 -1.2105 -1.0364 -1.0360 -0.7916 -0.7850 -0.6976 -0.6918 -0.3000 -0.2929 -0.1243 -0.1211 0.2157 0.2184 0.4100 0.4163 0.9167 0.9185 1.1941 1.2021 1.3076 1.3150 1.4089 1.4094 7.4871 7.4871 9.5937 9.5944 9.6807 9.6845 10.6562 10.6591 11.0344 11.0344 11.5435 11.5578 k = 0.0000 0.2188-0.0000 ( 6367 PWs) bands (ev): -18.3105 -18.3105 -17.5799 -17.5799 -17.3446 -17.3445 -16.3030 -16.3026 -16.1480 -16.1472 -16.1145 -16.1122 -16.0582 -16.0556 -16.0494 -16.0487 -8.3439 -8.3438 -6.6597 -6.6593 -6.1275 -6.1272 -4.6725 -4.6710 -4.6572 -4.6542 -4.4677 -4.4640 -4.1435 -4.1415 -3.8907 -3.8895 -1.9871 -1.9840 -1.6541 -1.6478 -1.5956 -1.5947 -1.2101 -1.2097 -1.2089 -1.2035 -1.0733 -1.0729 -0.7940 -0.7868 -0.6851 -0.6783 -0.2858 -0.2789 -0.1474 -0.1440 0.2370 0.2398 0.3685 0.3749 0.9240 0.9253 1.1623 1.1701 1.2861 1.2931 1.4024 1.4030 7.5462 7.5462 9.6164 9.6171 9.7168 9.7209 10.6589 10.6622 10.9446 10.9448 11.5681 11.5822 k = 0.0000 0.2344-0.0000 ( 6359 PWs) bands (ev): -18.2961 -18.2961 -17.5954 -17.5953 -17.3263 -17.3262 -16.3290 -16.3286 -16.1484 -16.1475 -16.1166 -16.1143 -16.0588 -16.0561 -16.0497 -16.0490 -8.3046 -8.3046 -6.6924 -6.6920 -6.0866 -6.0863 -4.6906 -4.6900 -4.6426 -4.6383 -4.4565 -4.4525 -4.1507 -4.1486 -3.8999 -3.8986 -1.9979 -1.9950 -1.6499 -1.6441 -1.5894 -1.5884 -1.2088 -1.2082 -1.1867 -1.1807 -1.1109 -1.1105 -0.7974 -0.7897 -0.6727 -0.6652 -0.2683 -0.2617 -0.1708 -0.1672 0.2593 0.2620 0.3240 0.3306 0.9315 0.9321 1.1300 1.1378 1.2636 1.2700 1.3956 1.3961 7.6088 7.6088 9.6402 9.6409 9.7548 9.7592 10.6600 10.6637 10.8508 10.8511 11.5959 11.6096 k = 0.0000 0.2500-0.0000 ( 6359 PWs) bands (ev): -18.2809 -18.2808 -17.6117 -17.6117 -17.3068 -17.3067 -16.3561 -16.3557 -16.1488 -16.1479 -16.1188 -16.1164 -16.0593 -16.0566 -16.0501 -16.0492 -8.2635 -8.2634 -6.7269 -6.7265 -6.0438 -6.0436 -4.7113 -4.7108 -4.6262 -4.6215 -4.4444 -4.4402 -4.1585 -4.1562 -3.9097 -3.9083 -2.0069 -2.0042 -1.6454 -1.6401 -1.5836 -1.5825 -1.2106 -1.2100 -1.1635 -1.1582 -1.1463 -1.1455 -0.8019 -0.7939 -0.6606 -0.6525 -0.2474 -0.2412 -0.1944 -0.1906 0.2761 0.2805 0.2857 0.2861 0.9377 0.9379 1.0984 1.1063 1.2401 1.2461 1.3882 1.3887 7.6745 7.6745 9.6649 9.6657 9.7944 9.7990 10.6594 10.6635 10.7539 10.7542 11.6266 11.6400 k = 0.0000 0.2656-0.0000 ( 6361 PWs) bands (ev): -18.2648 -18.2648 -17.6289 -17.6289 -17.2863 -17.2861 -16.3844 -16.3840 -16.1492 -16.1482 -16.1211 -16.1186 -16.0597 -16.0570 -16.0504 -16.0495 -8.2205 -8.2205 -6.7632 -6.7628 -5.9994 -5.9991 -4.7336 -4.7331 -4.6093 -4.6042 -4.4316 -4.4270 -4.1669 -4.1644 -3.9203 -3.9187 -2.0141 -2.0116 -1.6408 -1.6359 -1.5785 -1.5772 -1.2240 -1.2235 -1.1709 -1.1709 -1.1392 -1.1335 -0.8075 -0.7995 -0.6488 -0.6401 -0.2233 -0.2207 -0.2150 -0.2140 0.2275 0.2344 0.3070 0.3095 0.9397 0.9409 1.0694 1.0778 1.2158 1.2215 1.3804 1.3810 7.7433 7.7434 9.6903 9.6912 9.8352 9.8402 10.6538 10.6542 10.6579 10.6625 11.6603 11.6733 k = 0.0000 0.2812-0.0000 ( 6364 PWs) bands (ev): -18.2480 -18.2480 -17.6469 -17.6469 -17.2646 -17.2645 -16.4136 -16.4132 -16.1495 -16.1485 -16.1233 -16.1209 -16.0599 -16.0574 -16.0508 -16.0499 -8.1760 -8.1759 -6.8012 -6.8007 -5.9534 -5.9531 -4.7574 -4.7570 -4.5919 -4.5864 -4.4178 -4.4130 -4.1758 -4.1732 -3.9315 -3.9298 -2.0193 -2.0169 -1.6360 -1.6315 -1.5740 -1.5727 -1.2562 -1.2558 -1.1764 -1.1763 -1.1149 -1.1094 -0.8143 -0.8064 -0.6371 -0.6281 -0.2427 -0.2379 -0.1959 -0.1902 0.1768 0.1840 0.3319 0.3344 0.9341 0.9363 1.0469 1.0557 1.1912 1.1965 1.3722 1.3728 7.8151 7.8152 9.7162 9.7172 9.8769 9.8822 10.5532 10.5536 10.6539 10.6589 11.6966 11.7092 k = 0.0000 0.2969-0.0000 ( 6340 PWs) bands (ev): -18.2304 -18.2304 -17.6656 -17.6656 -17.2419 -17.2418 -16.4436 -16.4433 -16.1498 -16.1487 -16.1256 -16.1232 -16.0601 -16.0576 -16.0512 -16.0502 -8.1301 -8.1299 -6.8407 -6.8403 -5.9061 -5.9058 -4.7828 -4.7824 -4.5742 -4.5685 -4.4033 -4.3982 -4.1853 -4.1825 -3.9435 -3.9416 -2.0225 -2.0201 -1.6310 -1.6269 -1.5705 -1.5690 -1.2967 -1.2963 -1.1731 -1.1731 -1.0898 -1.0845 -0.8223 -0.8146 -0.6255 -0.6162 -0.2668 -0.2617 -0.1657 -0.1604 0.1250 0.1325 0.3577 0.3601 0.9174 0.9196 1.0347 1.0431 1.1668 1.1718 1.3636 1.3641 7.8897 7.8898 9.7424 9.7435 9.9191 9.9247 10.4510 10.4514 10.6495 10.6550 11.7353 11.7476 k = 0.0000 0.3125-0.0000 ( 6336 PWs) bands (ev): -18.2121 -18.2121 -17.6851 -17.6850 -17.2182 -17.2181 -16.4745 -16.4741 -16.1501 -16.1489 -16.1279 -16.1255 -16.0602 -16.0577 -16.0516 -16.0505 -8.0828 -8.0826 -6.8818 -6.8813 -5.8577 -5.8574 -4.8099 -4.8094 -4.5564 -4.5504 -4.3879 -4.3826 -4.1953 -4.1923 -3.9561 -3.9541 -2.0234 -2.0212 -1.6260 -1.6222 -1.5680 -1.5663 -1.3396 -1.3390 -1.1667 -1.1666 -1.0638 -1.0587 -0.8315 -0.8240 -0.6138 -0.6044 -0.2912 -0.2857 -0.1329 -0.1281 0.0726 0.0804 0.3843 0.3866 0.8901 0.8918 1.0312 1.0385 1.1437 1.1483 1.3545 1.3551 7.9670 7.9671 9.7683 9.7696 9.9611 9.9670 10.3485 10.3488 10.6447 10.6507 11.7028 11.7068 k = 0.0000 0.3281-0.0000 ( 6340 PWs) bands (ev): -18.1931 -18.1931 -17.7052 -17.7051 -17.1936 -17.1934 -16.5060 -16.5056 -16.1503 -16.1491 -16.1301 -16.1277 -16.0602 -16.0578 -16.0520 -16.0509 -8.0343 -8.0341 -6.9242 -6.9238 -5.8083 -5.8080 -4.8385 -4.8381 -4.5385 -4.5323 -4.3717 -4.3663 -4.2059 -4.2027 -3.9695 -3.9674 -2.0221 -2.0199 -1.6208 -1.6174 -1.5670 -1.5650 -1.3831 -1.3821 -1.1583 -1.1583 -1.0369 -1.0319 -0.8418 -0.8346 -0.6019 -0.5924 -0.3159 -0.3100 -0.0978 -0.0933 0.0200 0.0282 0.4116 0.4138 0.8558 0.8570 1.0297 1.0358 1.1244 1.1283 1.3450 1.3456 8.0468 8.0469 9.7931 9.7946 10.0021 10.0083 10.2467 10.2468 10.6404 10.6469 11.6408 11.6447 k = 0.0000 0.3438-0.0000 ( 6342 PWs) bands (ev): -18.1735 -18.1735 -17.7259 -17.7258 -17.1679 -17.1677 -16.5380 -16.5377 -16.1505 -16.1493 -16.1322 -16.1299 -16.0602 -16.0578 -16.0525 -16.0512 -7.9847 -7.9846 -6.9681 -6.9676 -5.7582 -5.7579 -4.8688 -4.8684 -4.5206 -4.5142 -4.3548 -4.3492 -4.2169 -4.2136 -3.9836 -3.9813 -2.0184 -2.0163 -1.6156 -1.6125 -1.5681 -1.5656 -1.4258 -1.4244 -1.1486 -1.1485 -1.0089 -1.0041 -0.8532 -0.8462 -0.5896 -0.5801 -0.3411 -0.3346 -0.0608 -0.0566 -0.0322 -0.0235 0.4395 0.4416 0.8174 0.8184 1.0238 1.0281 1.1128 1.1154 1.3351 1.3357 8.1291 8.1292 9.8147 9.8165 10.0412 10.0478 10.1477 10.1478 10.6376 10.6445 11.5753 11.5791 k = 0.0000 0.3594-0.0000 ( 6338 PWs) bands (ev): -18.1533 -18.1533 -17.7471 -17.7471 -17.1414 -17.1412 -16.5706 -16.5703 -16.1506 -16.1493 -16.1343 -16.1321 -16.0600 -16.0577 -16.0529 -16.0516 -7.9343 -7.9341 -7.0132 -7.0127 -5.7076 -5.7073 -4.9007 -4.9003 -4.5028 -4.4962 -4.3371 -4.3314 -4.2285 -4.2250 -3.9984 -3.9959 -2.0122 -2.0102 -1.6104 -1.6075 -1.5723 -1.5692 -1.4661 -1.4639 -1.1377 -1.1374 -0.9798 -0.9752 -0.8654 -0.8586 -0.5770 -0.5675 -0.3668 -0.3597 -0.0837 -0.0744 -0.0218 -0.0179 0.4680 0.4700 0.7767 0.7775 1.0092 1.0117 1.1112 1.1122 1.3248 1.3255 8.2137 8.2138 9.8274 9.8295 10.0573 10.0577 10.0773 10.0842 10.6375 10.6449 11.5080 11.5117 k = 0.0000 0.3750-0.0000 ( 6334 PWs) bands (ev): -18.1325 -18.1325 -17.7688 -17.7688 -17.1140 -17.1138 -16.6035 -16.6032 -16.1507 -16.1493 -16.1363 -16.1341 -16.0599 -16.0576 -16.0533 -16.0520 -7.8831 -7.8829 -7.0594 -7.0590 -5.6567 -5.6563 -4.9343 -4.9339 -4.4851 -4.4785 -4.3187 -4.3130 -4.2406 -4.2368 -4.0139 -4.0112 -2.0036 -2.0016 -1.6053 -1.6027 -1.5828 -1.5787 -1.5006 -1.4975 -1.1257 -1.1253 -0.9497 -0.9454 -0.8782 -0.8715 -0.5637 -0.5543 -0.3934 -0.3857 -0.1338 -0.1238 0.0186 0.0222 0.4972 0.4990 0.7344 0.7352 0.9871 0.9885 1.1169 1.1169 1.3141 1.3148 8.3004 8.3006 9.8136 9.8160 9.9935 9.9940 10.1088 10.1159 10.6418 10.6495 11.4398 11.4435 k = 0.0000 0.3906-0.0000 ( 6334 PWs) bands (ev): -18.1113 -18.1113 -17.7910 -17.7910 -17.0858 -17.0856 -16.6367 -16.6364 -16.1506 -16.1492 -16.1381 -16.1360 -16.0596 -16.0574 -16.0538 -16.0524 -7.8313 -7.8311 -7.1068 -7.1064 -5.6056 -5.6052 -4.9695 -4.9691 -4.4676 -4.4610 -4.2998 -4.2941 -4.2531 -4.2492 -4.0301 -4.0272 -1.9924 -1.9904 -1.6050 -1.6022 -1.5972 -1.5963 -1.5241 -1.5207 -1.1127 -1.1121 -0.9198 -0.9170 -0.8902 -0.8824 -0.5499 -0.5405 -0.4211 -0.4128 -0.1818 -0.1712 0.0602 0.0636 0.5268 0.5285 0.6910 0.6919 0.9608 0.9615 1.1259 1.1266 1.3030 1.3038 8.3893 8.3895 9.7539 9.7558 9.9762 9.9764 10.1345 10.1416 10.6520 10.6598 11.3716 11.3753 k = 0.0000 0.4062-0.0000 ( 6334 PWs) bands (ev): -18.0896 -18.0896 -17.8135 -17.8135 -17.0568 -17.0566 -16.6701 -16.6698 -16.1505 -16.1490 -16.1399 -16.1378 -16.0593 -16.0572 -16.0542 -16.0528 -7.7790 -7.7787 -7.1552 -7.1548 -5.5545 -5.5542 -5.0064 -5.0060 -4.4503 -4.4438 -4.2803 -4.2749 -4.2659 -4.2619 -4.0469 -4.0438 -1.9786 -1.9767 -1.6348 -1.6310 -1.5945 -1.5921 -1.5366 -1.5337 -1.0989 -1.0981 -0.9111 -0.9089 -0.8805 -0.8723 -0.5354 -0.5259 -0.4503 -0.4414 -0.2272 -0.2159 0.1029 0.1061 0.5569 0.5585 0.6467 0.6477 0.9321 0.9325 1.1372 1.1381 1.2916 1.2924 8.4801 8.4804 9.6656 9.6670 9.9870 9.9878 10.1531 10.1600 10.6694 10.6772 11.3037 11.3074 k = 0.0000 0.4219-0.0000 ( 6332 PWs) bands (ev): -18.0675 -18.0675 -17.8363 -17.8363 -17.0271 -17.0269 -16.7036 -16.7033 -16.1503 -16.1488 -16.1415 -16.1395 -16.0590 -16.0569 -16.0547 -16.0532 -7.7263 -7.7260 -7.2045 -7.2041 -5.5038 -5.5034 -5.0448 -5.0444 -4.4333 -4.4268 -4.2796 -4.2751 -4.2605 -4.2549 -4.0644 -4.0611 -1.9622 -1.9603 -1.6702 -1.6669 -1.5895 -1.5873 -1.5436 -1.5413 -1.0844 -1.0834 -0.9245 -0.9213 -0.8480 -0.8409 -0.5200 -0.5105 -0.4812 -0.4719 -0.2694 -0.2576 0.1466 0.1495 0.5874 0.5887 0.6020 0.6030 0.9020 0.9024 1.1497 1.1507 1.2798 1.2806 8.5727 8.5730 9.5676 9.5688 10.0074 10.0087 10.1640 10.1704 10.6948 10.7023 11.2364 11.2402 k = 0.0000 0.4375-0.0000 ( 6324 PWs) bands (ev): -18.0450 -18.0450 -17.8594 -17.8594 -16.9967 -16.9965 -16.7371 -16.7368 -16.1500 -16.1484 -16.1430 -16.1410 -16.0587 -16.0566 -16.0552 -16.0536 -7.6733 -7.6730 -7.2546 -7.2542 -5.4534 -5.4531 -5.0849 -5.0845 -4.4165 -4.4102 -4.2934 -4.2887 -4.2404 -4.2350 -4.0824 -4.0789 -1.9432 -1.9413 -1.7068 -1.7040 -1.5845 -1.5824 -1.5486 -1.5466 -1.0692 -1.0680 -0.9398 -0.9366 -0.8127 -0.8058 -0.5145 -0.5047 -0.5036 -0.4937 -0.3078 -0.2957 0.1909 0.1936 0.5564 0.5578 0.6184 0.6198 0.8712 0.8716 1.1628 1.1639 1.2677 1.2686 8.6671 8.6675 9.4665 9.4674 10.0309 10.0325 10.1672 10.1731 10.7281 10.7351 11.1702 11.1742 k = 0.0000 0.4531-0.0000 ( 6310 PWs) bands (ev): -18.0222 -18.0222 -17.8826 -17.8826 -16.9658 -16.9655 -16.7706 -16.7703 -16.1495 -16.1479 -16.1443 -16.1424 -16.0583 -16.0563 -16.0556 -16.0540 -7.6202 -7.6199 -7.3055 -7.3051 -5.4037 -5.4033 -5.1265 -5.1261 -4.4000 -4.3938 -4.3076 -4.3027 -4.2201 -4.2149 -4.1010 -4.0972 -1.9217 -1.9197 -1.7429 -1.7404 -1.5795 -1.5776 -1.5529 -1.5511 -1.0536 -1.0522 -0.9557 -0.9527 -0.7762 -0.7691 -0.5492 -0.5396 -0.4862 -0.4762 -0.3423 -0.3302 0.2359 0.2384 0.5108 0.5123 0.6496 0.6509 0.8399 0.8403 1.1762 1.1773 1.2553 1.2562 8.7631 8.7635 9.3643 9.3651 10.0551 10.0571 10.1635 10.1687 10.7686 10.7751 11.1053 11.1094 k = 0.0000 0.4688-0.0000 ( 6316 PWs) bands (ev): -17.9992 -17.9992 -17.9059 -17.9059 -16.9342 -16.9340 -16.8039 -16.8036 -16.1490 -16.1473 -16.1455 -16.1436 -16.0579 -16.0561 -16.0560 -16.0544 -7.5671 -7.5668 -7.3569 -7.3566 -5.3548 -5.3544 -5.1696 -5.1692 -4.3838 -4.3778 -4.3222 -4.3170 -4.1998 -4.1948 -4.1201 -4.1161 -1.8976 -1.8956 -1.7778 -1.7755 -1.5748 -1.5730 -1.5571 -1.5554 -1.0376 -1.0359 -0.9719 -0.9692 -0.7386 -0.7312 -0.5857 -0.5764 -0.4675 -0.4572 -0.3731 -0.3612 0.2813 0.2836 0.4649 0.4665 0.6811 0.6822 0.8082 0.8088 1.1896 1.1907 1.2426 1.2435 8.8605 8.8610 9.2621 9.2628 10.0788 10.0813 10.1540 10.1585 10.8151 10.8211 11.0420 11.0464 k = 0.0000 0.4844-0.0000 ( 6316 PWs) bands (ev): -17.9760 -17.9760 -17.9293 -17.9293 -16.9022 -16.9020 -16.8370 -16.8367 -16.1483 -16.1466 -16.1466 -16.1448 -16.0574 -16.0566 -16.0556 -16.0548 -7.5142 -7.5138 -7.4089 -7.4086 -5.3067 -5.3064 -5.2140 -5.2136 -4.3679 -4.3621 -4.3371 -4.3317 -4.1795 -4.1748 -4.1396 -4.1353 -1.8710 -1.8690 -1.8109 -1.8088 -1.5701 -1.5684 -1.5613 -1.5596 -1.0213 -1.0194 -0.9883 -0.9859 -0.7004 -0.6925 -0.6234 -0.6145 -0.4472 -0.4365 -0.4005 -0.3890 0.3270 0.3291 0.4189 0.4207 0.7128 0.7137 0.7764 0.7771 1.2031 1.2041 1.2296 1.2306 8.9593 8.9599 9.1603 9.1610 10.1014 10.1042 10.1398 10.1437 10.8666 10.8721 10.9808 10.9855 k = 0.0000 0.5000-0.0000 ( 6316 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -16.8698 -16.8698 -16.8695 -16.8695 -16.1475 -16.1475 -16.1457 -16.1457 -16.0570 -16.0570 -16.0552 -16.0552 -7.4614 -7.4614 -7.4611 -7.4611 -5.2598 -5.2598 -5.2594 -5.2594 -4.3523 -4.3523 -4.3468 -4.3468 -4.1594 -4.1594 -4.1549 -4.1549 -1.8421 -1.8421 -1.8400 -1.8400 -1.5656 -1.5656 -1.5640 -1.5640 -1.0048 -1.0048 -1.0026 -1.0026 -0.6618 -0.6618 -0.6535 -0.6535 -0.4250 -0.4250 -0.4139 -0.4139 0.3729 0.3729 0.3749 0.3749 0.7446 0.7446 0.7454 0.7454 1.2164 1.2164 1.2174 1.2174 9.0593 9.0593 9.0599 9.0599 10.1219 10.1219 10.1253 10.1253 10.9221 10.9221 10.9272 10.9272 k = 0.0000 0.5000-0.0000 ( 6316 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -16.8698 -16.8698 -16.8695 -16.8695 -16.1475 -16.1475 -16.1457 -16.1457 -16.0570 -16.0570 -16.0552 -16.0552 -7.4614 -7.4614 -7.4611 -7.4611 -5.2598 -5.2598 -5.2594 -5.2594 -4.3523 -4.3523 -4.3468 -4.3468 -4.1594 -4.1594 -4.1549 -4.1549 -1.8421 -1.8421 -1.8400 -1.8400 -1.5656 -1.5656 -1.5640 -1.5640 -1.0048 -1.0048 -1.0026 -1.0026 -0.6618 -0.6618 -0.6535 -0.6535 -0.4250 -0.4250 -0.4139 -0.4139 0.3729 0.3729 0.3749 0.3749 0.7446 0.7446 0.7454 0.7454 1.2164 1.2164 1.2174 1.2174 9.0593 9.0593 9.0599 9.0599 10.1219 10.1219 10.1253 10.1253 10.9221 10.9221 10.9272 10.9272 k = 0.0156 0.5000-0.0000 ( 6320 PWs) bands (ev): -17.9521 -17.9521 -17.9521 -17.9521 -16.8704 -16.8704 -16.8702 -16.8702 -16.1475 -16.1475 -16.1458 -16.1458 -16.0572 -16.0572 -16.0554 -16.0554 -7.4599 -7.4599 -7.4596 -7.4596 -5.2614 -5.2614 -5.2610 -5.2610 -4.3516 -4.3516 -4.3461 -4.3461 -4.1588 -4.1588 -4.1543 -4.1543 -1.8419 -1.8419 -1.8398 -1.8398 -1.5663 -1.5663 -1.5646 -1.5646 -1.0047 -1.0047 -1.0024 -1.0024 -0.6619 -0.6619 -0.6536 -0.6536 -0.4260 -0.4260 -0.4149 -0.4149 0.3733 0.3733 0.3753 0.3753 0.7447 0.7447 0.7455 0.7455 1.2149 1.2149 1.2159 1.2159 9.0609 9.0609 9.0615 9.0615 10.1225 10.1225 10.1259 10.1259 10.9235 10.9235 10.9286 10.9286 k = 0.0312 0.5000-0.0000 ( 6330 PWs) bands (ev): -17.9504 -17.9504 -17.9504 -17.9504 -16.8724 -16.8724 -16.8722 -16.8722 -16.1475 -16.1475 -16.1458 -16.1458 -16.0578 -16.0578 -16.0560 -16.0560 -7.4554 -7.4554 -7.4550 -7.4550 -5.2663 -5.2663 -5.2658 -5.2658 -4.3494 -4.3494 -4.3439 -4.3439 -4.1568 -4.1568 -4.1524 -4.1524 -1.8414 -1.8414 -1.8392 -1.8392 -1.5685 -1.5685 -1.5667 -1.5666 -1.0042 -1.0042 -1.0019 -1.0019 -0.6623 -0.6623 -0.6541 -0.6541 -0.4290 -0.4290 -0.4179 -0.4179 0.3746 0.3746 0.3768 0.3768 0.7450 0.7450 0.7459 0.7459 1.2104 1.2104 1.2115 1.2115 9.0654 9.0654 9.0661 9.0661 10.1241 10.1241 10.1276 10.1276 10.9277 10.9277 10.9328 10.9328 k = 0.0469 0.5000-0.0000 ( 6326 PWs) bands (ev): -17.9475 -17.9475 -17.9474 -17.9474 -16.8757 -16.8757 -16.8755 -16.8755 -16.1476 -16.1476 -16.1458 -16.1458 -16.0588 -16.0588 -16.0570 -16.0570 -7.4479 -7.4479 -7.4475 -7.4475 -5.2744 -5.2744 -5.2736 -5.2736 -4.3458 -4.3458 -4.3403 -4.3403 -4.1536 -4.1536 -4.1492 -4.1492 -1.8405 -1.8405 -1.8381 -1.8381 -1.5719 -1.5719 -1.5699 -1.5699 -1.0035 -1.0035 -1.0010 -1.0010 -0.6630 -0.6630 -0.6549 -0.6549 -0.4339 -0.4339 -0.4227 -0.4227 0.3767 0.3767 0.3791 0.3791 0.7455 0.7455 0.7466 0.7466 1.2029 1.2029 1.2041 1.2041 9.0731 9.0731 9.0738 9.0738 10.1267 10.1267 10.1304 10.1304 10.9345 10.9345 10.9398 10.9398 k = 0.0625 0.5000-0.0000 ( 6326 PWs) bands (ev): -17.9434 -17.9434 -17.9433 -17.9433 -16.8804 -16.8804 -16.8801 -16.8801 -16.1476 -16.1476 -16.1458 -16.1458 -16.0601 -16.0601 -16.0584 -16.0584 -7.4374 -7.4374 -7.4371 -7.4371 -5.2855 -5.2855 -5.2846 -5.2846 -4.3409 -4.3409 -4.3355 -4.3355 -4.1491 -4.1491 -4.1447 -4.1447 -1.8392 -1.8392 -1.8367 -1.8367 -1.5765 -1.5765 -1.5743 -1.5743 -1.0028 -1.0028 -1.0001 -1.0001 -0.6639 -0.6639 -0.6561 -0.6561 -0.4403 -0.4403 -0.4291 -0.4291 0.3794 0.3794 0.3821 0.3821 0.7462 0.7462 0.7474 0.7474 1.1927 1.1927 1.1940 1.1940 9.0836 9.0836 9.0844 9.0844 10.1304 10.1304 10.1343 10.1343 10.9441 10.9441 10.9495 10.9495 k = 0.0781 0.5000-0.0000 ( 6330 PWs) bands (ev): -17.9381 -17.9381 -17.9381 -17.9381 -16.8863 -16.8863 -16.8861 -16.8861 -16.1476 -16.1476 -16.1459 -16.1459 -16.0618 -16.0618 -16.0601 -16.0601 -7.4241 -7.4241 -7.4237 -7.4237 -5.2995 -5.2995 -5.2985 -5.2985 -4.3348 -4.3348 -4.3294 -4.3294 -4.1435 -4.1435 -4.1391 -4.1391 -1.8377 -1.8377 -1.8349 -1.8349 -1.5822 -1.5822 -1.5798 -1.5798 -1.0023 -1.0023 -0.9994 -0.9994 -0.6652 -0.6652 -0.6577 -0.6577 -0.4480 -0.4480 -0.4368 -0.4368 0.3827 0.3827 0.3857 0.3857 0.7470 0.7470 0.7485 0.7485 1.1798 1.1798 1.1812 1.1812 9.0971 9.0971 9.0980 9.0980 10.1350 10.1350 10.1392 10.1392 10.9563 10.9563 10.9618 10.9618 k = 0.0938 0.5000-0.0000 ( 6332 PWs) bands (ev): -17.9317 -17.9317 -17.9317 -17.9317 -16.8936 -16.8936 -16.8933 -16.8933 -16.1477 -16.1477 -16.1459 -16.1459 -16.0639 -16.0639 -16.0621 -16.0621 -7.4079 -7.4079 -7.4074 -7.4074 -5.3163 -5.3163 -5.3151 -5.3151 -4.3275 -4.3275 -4.3223 -4.3223 -4.1367 -4.1367 -4.1324 -4.1324 -1.8359 -1.8359 -1.8328 -1.8328 -1.5888 -1.5887 -1.5860 -1.5860 -1.0023 -1.0023 -0.9990 -0.9990 -0.6670 -0.6670 -0.6599 -0.6599 -0.4564 -0.4564 -0.4453 -0.4453 0.3864 0.3864 0.3896 0.3896 0.7480 0.7480 0.7497 0.7497 1.1645 1.1645 1.1661 1.1661 9.1133 9.1133 9.1143 9.1143 10.1406 10.1406 10.1450 10.1450 10.9712 10.9712 10.9768 10.9768 k = 0.1094 0.5000-0.0000 ( 6328 PWs) bands (ev): -17.9242 -17.9242 -17.9241 -17.9241 -16.9021 -16.9021 -16.9019 -16.9019 -16.1478 -16.1478 -16.1460 -16.1460 -16.0662 -16.0662 -16.0644 -16.0644 -7.3889 -7.3889 -7.3884 -7.3884 -5.3357 -5.3357 -5.3344 -5.3344 -4.3193 -4.3193 -4.3141 -4.3141 -4.1289 -4.1289 -4.1246 -4.1246 -1.8338 -1.8338 -1.8304 -1.8304 -1.5960 -1.5959 -1.5928 -1.5928 -1.0030 -1.0030 -0.9994 -0.9994 -0.6696 -0.6696 -0.6630 -0.6630 -0.4650 -0.4650 -0.4541 -0.4541 0.3902 0.3902 0.3937 0.3937 0.7492 0.7492 0.7511 0.7511 1.1471 1.1471 1.1488 1.1488 9.1321 9.1321 9.1332 9.1332 10.1469 10.1469 10.1516 10.1516 10.9885 10.9885 10.9942 10.9943 k = 0.1250 0.5000-0.0000 ( 6332 PWs) bands (ev): -17.9155 -17.9155 -17.9155 -17.9155 -16.9120 -16.9120 -16.9117 -16.9117 -16.1478 -16.1478 -16.1460 -16.1460 -16.0687 -16.0687 -16.0669 -16.0669 -7.3672 -7.3672 -7.3666 -7.3666 -5.3576 -5.3576 -5.3562 -5.3562 -4.3101 -4.3101 -4.3051 -4.3051 -4.1201 -4.1201 -4.1159 -4.1159 -1.8316 -1.8316 -1.8278 -1.8277 -1.6036 -1.6036 -1.6001 -1.6001 -1.0048 -1.0048 -1.0008 -1.0008 -0.6732 -0.6732 -0.6673 -0.6673 -0.4731 -0.4731 -0.4624 -0.4624 0.3940 0.3940 0.3977 0.3977 0.7505 0.7505 0.7526 0.7526 1.1278 1.1278 1.1297 1.1297 9.1535 9.1535 9.1547 9.1547 10.1540 10.1540 10.1589 10.1589 11.0081 11.0081 11.0141 11.0141 k = 0.1406 0.5000-0.0000 ( 6332 PWs) bands (ev): -17.9057 -17.9057 -17.9057 -17.9057 -16.9231 -16.9231 -16.9228 -16.9228 -16.1479 -16.1479 -16.1461 -16.1461 -16.0715 -16.0715 -16.0697 -16.0697 -7.3428 -7.3428 -7.3422 -7.3422 -5.3818 -5.3818 -5.3803 -5.3803 -4.3003 -4.3003 -4.2954 -4.2954 -4.1104 -4.1104 -4.1063 -4.1063 -1.8292 -1.8292 -1.8249 -1.8249 -1.6114 -1.6114 -1.6075 -1.6075 -1.0079 -1.0079 -1.0033 -1.0033 -0.6785 -0.6785 -0.6733 -0.6733 -0.4796 -0.4796 -0.4696 -0.4696 0.3974 0.3974 0.4014 0.4014 0.7518 0.7518 0.7542 0.7542 1.1071 1.1071 1.1092 1.1092 9.1771 9.1772 9.1785 9.1785 10.1617 10.1617 10.1668 10.1668 11.0301 11.0301 11.0361 11.0361 k = 0.1562 0.5000-0.0000 ( 6344 PWs) bands (ev): -17.8949 -17.8949 -17.8948 -17.8948 -16.9355 -16.9355 -16.9352 -16.9352 -16.1480 -16.1480 -16.1462 -16.1462 -16.0744 -16.0744 -16.0726 -16.0726 -7.3159 -7.3159 -7.3153 -7.3153 -5.4082 -5.4082 -5.4065 -5.4065 -4.2897 -4.2897 -4.2850 -4.2850 -4.1000 -4.1000 -4.0960 -4.0960 -1.8267 -1.8267 -1.8220 -1.8220 -1.6192 -1.6192 -1.6148 -1.6148 -1.0124 -1.0124 -1.0073 -1.0073 -0.6861 -0.6861 -0.6815 -0.6815 -0.4839 -0.4839 -0.4746 -0.4746 0.4001 0.4001 0.4043 0.4043 0.7532 0.7532 0.7558 0.7558 1.0852 1.0852 1.0876 1.0876 9.2030 9.2030 9.2044 9.2044 10.1698 10.1698 10.1751 10.1751 11.0540 11.0541 11.0601 11.0601 k = 0.1719 0.5000-0.0000 ( 6346 PWs) bands (ev): -17.8829 -17.8829 -17.8828 -17.8828 -16.9491 -16.9491 -16.9489 -16.9489 -16.1481 -16.1481 -16.1463 -16.1463 -16.0775 -16.0775 -16.0757 -16.0757 -7.2866 -7.2866 -7.2859 -7.2859 -5.4365 -5.4365 -5.4348 -5.4348 -4.2787 -4.2787 -4.2741 -4.2741 -4.0890 -4.0890 -4.0851 -4.0851 -1.8243 -1.8243 -1.8190 -1.8190 -1.6267 -1.6267 -1.6218 -1.6218 -1.0185 -1.0185 -1.0129 -1.0129 -0.6965 -0.6965 -0.6922 -0.6922 -0.4852 -0.4852 -0.4769 -0.4769 0.4018 0.4018 0.4062 0.4062 0.7546 0.7546 0.7575 0.7575 1.0627 1.0627 1.0653 1.0653 9.2308 9.2308 9.2323 9.2323 10.1783 10.1783 10.1838 10.1838 11.0799 11.0799 11.0860 11.0860 k = 0.1875 0.5000-0.0000 ( 6338 PWs) bands (ev): -17.8699 -17.8699 -17.8698 -17.8698 -16.9640 -16.9640 -16.9637 -16.9637 -16.1481 -16.1481 -16.1464 -16.1464 -16.0807 -16.0807 -16.0789 -16.0789 -7.2550 -7.2550 -7.2542 -7.2542 -5.4667 -5.4667 -5.4649 -5.4649 -4.2671 -4.2671 -4.2627 -4.2627 -4.0775 -4.0775 -4.0737 -4.0737 -1.8219 -1.8219 -1.8162 -1.8162 -1.6337 -1.6337 -1.6282 -1.6282 -1.0263 -1.0263 -1.0201 -1.0201 -0.7100 -0.7100 -0.7055 -0.7055 -0.4831 -0.4831 -0.4758 -0.4758 0.4023 0.4023 0.4068 0.4068 0.7560 0.7560 0.7591 0.7591 1.0400 1.0400 1.0429 1.0429 9.2604 9.2604 9.2620 9.2620 10.1870 10.1870 10.1926 10.1926 11.1075 11.1075 11.1136 11.1136 k = 0.2031 0.5000-0.0000 ( 6334 PWs) bands (ev): -17.8558 -17.8558 -17.8557 -17.8557 -16.9800 -16.9800 -16.9797 -16.9797 -16.1482 -16.1482 -16.1465 -16.1465 -16.0839 -16.0839 -16.0821 -16.0821 -7.2211 -7.2211 -7.2204 -7.2204 -5.4986 -5.4986 -5.4968 -5.4968 -4.2553 -4.2553 -4.2510 -4.2510 -4.0655 -4.0655 -4.0619 -4.0619 -1.8198 -1.8198 -1.8135 -1.8135 -1.6400 -1.6400 -1.6339 -1.6339 -1.0356 -1.0356 -1.0290 -1.0290 -0.7264 -0.7264 -0.7214 -0.7214 -0.4775 -0.4775 -0.4713 -0.4713 0.4011 0.4011 0.4057 0.4057 0.7573 0.7573 0.7607 0.7607 1.0176 1.0176 1.0207 1.0207 9.2916 9.2916 9.2932 9.2932 10.1957 10.1957 10.2014 10.2014 11.1364 11.1364 11.1424 11.1424 k = 0.2188 0.5000-0.0000 ( 6330 PWs) bands (ev): -17.8407 -17.8407 -17.8406 -17.8406 -16.9972 -16.9972 -16.9969 -16.9969 -16.1483 -16.1483 -16.1465 -16.1465 -16.0871 -16.0871 -16.0853 -16.0853 -7.1852 -7.1852 -7.1844 -7.1844 -5.5322 -5.5322 -5.5303 -5.5303 -4.2431 -4.2431 -4.2391 -4.2391 -4.0534 -4.0534 -4.0499 -4.0499 -1.8180 -1.8180 -1.8111 -1.8111 -1.6453 -1.6453 -1.6387 -1.6387 -1.0466 -1.0466 -1.0395 -1.0395 -0.7455 -0.7455 -0.7397 -0.7397 -0.4686 -0.4686 -0.4633 -0.4633 0.3979 0.3979 0.4026 0.4026 0.7587 0.7587 0.7622 0.7622 0.9959 0.9959 0.9993 0.9993 9.3241 9.3241 9.3258 9.3258 10.2044 10.2044 10.2101 10.2101 11.1665 11.1665 11.1723 11.1723 k = 0.2344 0.5000-0.0000 ( 6332 PWs) bands (ev): -17.8246 -17.8246 -17.8245 -17.8245 -17.0154 -17.0154 -17.0152 -17.0152 -16.1484 -16.1484 -16.1466 -16.1466 -16.0903 -16.0903 -16.0885 -16.0885 -7.1474 -7.1474 -7.1465 -7.1465 -5.5672 -5.5672 -5.5653 -5.5653 -4.2308 -4.2308 -4.2269 -4.2269 -4.0411 -4.0411 -4.0377 -4.0377 -1.8164 -1.8164 -1.8091 -1.8091 -1.6494 -1.6494 -1.6423 -1.6423 -1.0590 -1.0590 -1.0515 -1.0515 -0.7666 -0.7666 -0.7601 -0.7601 -0.4567 -0.4567 -0.4524 -0.4524 0.3923 0.3923 0.3970 0.3970 0.7600 0.7600 0.7637 0.7637 0.9754 0.9754 0.9790 0.9790 9.3578 9.3578 9.3595 9.3595 10.2127 10.2127 10.2184 10.2184 11.1973 11.1973 11.2029 11.2029 k = 0.2500 0.5000-0.0000 ( 6330 PWs) bands (ev): -17.8076 -17.8076 -17.8075 -17.8075 -17.0348 -17.0348 -17.0345 -17.0345 -16.1485 -16.1485 -16.1467 -16.1467 -16.0934 -16.0934 -16.0917 -16.0917 -7.1077 -7.1077 -7.1068 -7.1068 -5.6037 -5.6037 -5.6017 -5.6017 -4.2184 -4.2184 -4.2147 -4.2147 -4.0289 -4.0289 -4.0256 -4.0256 -1.8153 -1.8153 -1.8076 -1.8076 -1.6523 -1.6523 -1.6447 -1.6447 -1.0728 -1.0728 -1.0650 -1.0650 -0.7893 -0.7892 -0.7821 -0.7821 -0.4423 -0.4423 -0.4387 -0.4387 0.3842 0.3842 0.3889 0.3889 0.7613 0.7614 0.7652 0.7652 0.9565 0.9565 0.9603 0.9603 9.3923 9.3923 9.3941 9.3941 10.2206 10.2206 10.2263 10.2263 11.2285 11.2285 11.2339 11.2339 k = 0.2656 0.5000-0.0000 ( 6324 PWs) bands (ev): -17.7896 -17.7896 -17.7895 -17.7895 -17.0551 -17.0551 -17.0549 -17.0549 -16.1485 -16.1485 -16.1468 -16.1468 -16.0965 -16.0965 -16.0948 -16.0948 -7.0664 -7.0664 -7.0655 -7.0654 -5.6414 -5.6414 -5.6394 -5.6394 -4.2060 -4.2060 -4.2025 -4.2024 -4.0167 -4.0167 -4.0135 -4.0135 -1.8146 -1.8145 -1.8066 -1.8066 -1.6537 -1.6537 -1.6459 -1.6459 -1.0877 -1.0877 -1.0796 -1.0796 -0.8129 -0.8129 -0.8052 -0.8052 -0.4257 -0.4257 -0.4227 -0.4227 0.3732 0.3732 0.3778 0.3778 0.7628 0.7628 0.7667 0.7667 0.9394 0.9395 0.9434 0.9434 9.4275 9.4275 9.4294 9.4294 10.2279 10.2279 10.2335 10.2335 11.2598 11.2598 11.2649 11.2649 k = 0.2812 0.5000-0.0000 ( 6328 PWs) bands (ev): -17.7707 -17.7707 -17.7706 -17.7706 -17.0764 -17.0764 -17.0761 -17.0761 -16.1486 -16.1486 -16.1469 -16.1469 -16.0994 -16.0994 -16.0977 -16.0977 -7.0236 -7.0236 -7.0226 -7.0226 -5.6804 -5.6804 -5.6784 -5.6784 -4.1937 -4.1937 -4.1903 -4.1903 -4.0048 -4.0048 -4.0018 -4.0018 -1.8141 -1.8141 -1.8060 -1.8060 -1.6538 -1.6538 -1.6458 -1.6458 -1.1036 -1.1036 -1.0953 -1.0953 -0.8371 -0.8371 -0.8290 -0.8290 -0.4071 -0.4071 -0.4047 -0.4047 0.3593 0.3593 0.3638 0.3638 0.7643 0.7643 0.7682 0.7682 0.9244 0.9244 0.9285 0.9285 9.4631 9.4631 9.4650 9.4650 10.2345 10.2345 10.2400 10.2400 11.2907 11.2907 11.2954 11.2954 k = 0.2969 0.5000-0.0000 ( 6328 PWs) bands (ev): -17.7510 -17.7510 -17.7509 -17.7509 -17.0985 -17.0985 -17.0983 -17.0983 -16.1487 -16.1487 -16.1470 -16.1470 -16.1022 -16.1022 -16.1006 -16.1006 -6.9794 -6.9794 -6.9783 -6.9783 -5.7206 -5.7206 -5.7186 -5.7186 -4.1815 -4.1815 -4.1784 -4.1783 -3.9932 -3.9932 -3.9903 -3.9903 -1.8139 -1.8139 -1.8057 -1.8057 -1.6527 -1.6527 -1.6446 -1.6446 -1.1202 -1.1202 -1.1118 -1.1118 -0.8615 -0.8615 -0.8532 -0.8532 -0.3868 -0.3868 -0.3849 -0.3849 0.3425 0.3425 0.3469 0.3469 0.7660 0.7660 0.7698 0.7698 0.9115 0.9115 0.9155 0.9155 9.4988 9.4988 9.5008 9.5008 10.2402 10.2402 10.2455 10.2455 11.3208 11.3208 11.3251 11.3251 k = 0.3125 0.5000-0.0000 ( 6328 PWs) bands (ev): -17.7304 -17.7304 -17.7303 -17.7303 -17.1215 -17.1215 -17.1213 -17.1213 -16.1487 -16.1487 -16.1471 -16.1471 -16.1049 -16.1049 -16.1033 -16.1033 -6.9340 -6.9339 -6.9328 -6.9328 -5.7619 -5.7619 -5.7599 -5.7599 -4.1696 -4.1696 -4.1667 -4.1667 -3.9821 -3.9821 -3.9794 -3.9794 -1.8139 -1.8139 -1.8058 -1.8058 -1.6504 -1.6504 -1.6424 -1.6424 -1.1373 -1.1373 -1.1289 -1.1289 -0.8857 -0.8857 -0.8773 -0.8773 -0.3651 -0.3651 -0.3635 -0.3635 0.3230 0.3230 0.3271 0.3271 0.7678 0.7679 0.7716 0.7716 0.9005 0.9005 0.9046 0.9046 9.5344 9.5344 9.5363 9.5363 10.2448 10.2448 10.2500 10.2500 11.3497 11.3497 11.3536 11.3536 k = 0.3281 0.5000-0.0000 ( 6330 PWs) bands (ev): -17.7090 -17.7090 -17.7089 -17.7089 -17.1452 -17.1452 -17.1450 -17.1450 -16.1487 -16.1487 -16.1472 -16.1472 -16.1074 -16.1074 -16.1058 -16.1058 -6.8875 -6.8875 -6.8863 -6.8863 -5.8041 -5.8041 -5.8021 -5.8021 -4.1581 -4.1581 -4.1554 -4.1554 -3.9714 -3.9714 -3.9689 -3.9689 -1.8138 -1.8138 -1.8060 -1.8060 -1.6471 -1.6471 -1.6393 -1.6393 -1.1546 -1.1546 -1.1464 -1.1464 -0.9094 -0.9094 -0.9010 -0.9010 -0.3421 -0.3421 -0.3409 -0.3409 0.3009 0.3009 0.3049 0.3049 0.7699 0.7700 0.7735 0.7735 0.8914 0.8914 0.8954 0.8954 9.5696 9.5696 9.5715 9.5715 10.2484 10.2484 10.2533 10.2533 11.3770 11.3770 11.3805 11.3805 k = 0.3438 0.5000-0.0000 ( 6344 PWs) bands (ev): -17.6869 -17.6869 -17.6868 -17.6868 -17.1697 -17.1697 -17.1694 -17.1694 -16.1488 -16.1488 -16.1473 -16.1473 -16.1097 -16.1097 -16.1082 -16.1082 -6.8400 -6.8400 -6.8388 -6.8388 -5.8473 -5.8473 -5.8454 -5.8454 -4.1472 -4.1472 -4.1446 -4.1446 -3.9615 -3.9615 -3.9591 -3.9591 -1.8137 -1.8137 -1.8061 -1.8061 -1.6432 -1.6432 -1.6357 -1.6356 -1.1717 -1.1717 -1.1639 -1.1638 -0.9322 -0.9322 -0.9240 -0.9240 -0.3180 -0.3180 -0.3171 -0.3171 0.2766 0.2766 0.2803 0.2803 0.7723 0.7723 0.7756 0.7756 0.8839 0.8839 0.8878 0.8878 9.6040 9.6040 9.6059 9.6059 10.2508 10.2508 10.2555 10.2555 11.4024 11.4024 11.4055 11.4055 k = 0.3594 0.5000-0.0000 ( 6352 PWs) bands (ev): -17.6640 -17.6640 -17.6639 -17.6639 -17.1947 -17.1947 -17.1944 -17.1944 -16.1488 -16.1488 -16.1474 -16.1474 -16.1118 -16.1118 -16.1103 -16.1103 -6.7919 -6.7919 -6.7906 -6.7906 -5.8914 -5.8914 -5.8894 -5.8894 -4.1368 -4.1368 -4.1344 -4.1344 -3.9522 -3.9522 -3.9500 -3.9500 -1.8134 -1.8134 -1.8062 -1.8062 -1.6388 -1.6388 -1.6316 -1.6316 -1.1885 -1.1885 -1.1810 -1.1810 -0.9539 -0.9539 -0.9460 -0.9460 -0.2930 -0.2930 -0.2922 -0.2922 0.2504 0.2504 0.2540 0.2540 0.7747 0.7747 0.7779 0.7779 0.8779 0.8779 0.8815 0.8815 9.6373 9.6373 9.6392 9.6392 10.2520 10.2520 10.2564 10.2564 11.4257 11.4257 11.4283 11.4283 k = 0.3750 0.5000-0.0000 ( 6360 PWs) bands (ev): -17.6405 -17.6405 -17.6404 -17.6404 -17.2202 -17.2202 -17.2200 -17.2200 -16.1488 -16.1488 -16.1475 -16.1475 -16.1136 -16.1136 -16.1123 -16.1123 -6.7431 -6.7431 -6.7418 -6.7418 -5.9362 -5.9362 -5.9343 -5.9343 -4.1271 -4.1271 -4.1250 -4.1250 -3.9437 -3.9437 -3.9417 -3.9417 -1.8128 -1.8128 -1.8062 -1.8062 -1.6342 -1.6342 -1.6274 -1.6274 -1.2046 -1.2046 -1.1976 -1.1976 -0.9743 -0.9743 -0.9668 -0.9668 -0.2671 -0.2671 -0.2665 -0.2665 0.2227 0.2227 0.2261 0.2261 0.7773 0.7773 0.7802 0.7802 0.8730 0.8730 0.8763 0.8763 9.6692 9.6692 9.6709 9.6709 10.2522 10.2522 10.2562 10.2562 11.4466 11.4466 11.4488 11.4488 k = 0.3906 0.5000-0.0000 ( 6368 PWs) bands (ev): -17.6164 -17.6164 -17.6163 -17.6163 -17.2462 -17.2462 -17.2460 -17.2460 -16.1488 -16.1488 -16.1476 -16.1476 -16.1153 -16.1153 -16.1141 -16.1141 -6.6940 -6.6940 -6.6926 -6.6926 -5.9817 -5.9817 -5.9798 -5.9798 -4.1182 -4.1182 -4.1164 -4.1164 -3.9360 -3.9360 -3.9342 -3.9342 -1.8120 -1.8120 -1.8059 -1.8059 -1.6295 -1.6295 -1.6234 -1.6234 -1.2196 -1.2196 -1.2132 -1.2132 -0.9930 -0.9930 -0.9861 -0.9861 -0.2405 -0.2405 -0.2399 -0.2399 0.1939 0.1939 0.1970 0.1970 0.7800 0.7800 0.7825 0.7825 0.8690 0.8690 0.8721 0.8721 9.6991 9.6991 9.7008 9.7008 10.2512 10.2512 10.2550 10.2550 11.4650 11.4650 11.4668 11.4668 k = 0.4062 0.5000-0.0000 ( 6368 PWs) bands (ev): -17.5917 -17.5917 -17.5916 -17.5916 -17.2725 -17.2725 -17.2723 -17.2723 -16.1487 -16.1487 -16.1477 -16.1477 -16.1167 -16.1167 -16.1157 -16.1157 -6.6447 -6.6447 -6.6433 -6.6433 -6.0277 -6.0277 -6.0258 -6.0258 -4.1103 -4.1103 -4.1086 -4.1086 -3.9292 -3.9292 -3.9276 -3.9276 -1.8109 -1.8109 -1.8054 -1.8054 -1.6250 -1.6250 -1.6195 -1.6195 -1.2332 -1.2332 -1.2276 -1.2276 -1.0098 -1.0098 -1.0036 -1.0036 -0.2133 -0.2133 -0.2126 -0.2126 0.1643 0.1643 0.1672 0.1672 0.7826 0.7826 0.7848 0.7848 0.8659 0.8659 0.8686 0.8686 9.7268 9.7268 9.7283 9.7283 10.2495 10.2495 10.2528 10.2528 11.4808 11.4808 11.4822 11.4822 k = 0.4219 0.5000-0.0000 ( 6364 PWs) bands (ev): -17.5666 -17.5666 -17.5664 -17.5664 -17.2992 -17.2992 -17.2990 -17.2990 -16.1487 -16.1487 -16.1478 -16.1478 -16.1179 -16.1179 -16.1170 -16.1170 -6.5954 -6.5954 -6.5940 -6.5940 -6.0740 -6.0740 -6.0722 -6.0722 -4.1033 -4.1033 -4.1020 -4.1020 -3.9233 -3.9233 -3.9220 -3.9220 -1.8096 -1.8096 -1.8049 -1.8049 -1.6210 -1.6210 -1.6162 -1.6162 -1.2451 -1.2451 -1.2403 -1.2403 -1.0244 -1.0244 -1.0191 -1.0191 -0.1857 -0.1857 -0.1849 -0.1849 0.1343 0.1343 0.1370 0.1370 0.7850 0.7850 0.7869 0.7869 0.8634 0.8634 0.8657 0.8657 9.7516 9.7516 9.7530 9.7530 10.2471 10.2471 10.2500 10.2500 11.4940 11.4940 11.4952 11.4952 k = 0.4375 0.5000-0.0000 ( 6360 PWs) bands (ev): -17.5409 -17.5409 -17.5408 -17.5408 -17.3260 -17.3260 -17.3258 -17.3258 -16.1486 -16.1486 -16.1479 -16.1479 -16.1189 -16.1189 -16.1181 -16.1181 -6.5467 -6.5467 -6.5452 -6.5452 -6.1202 -6.1202 -6.1185 -6.1185 -4.0975 -4.0975 -4.0964 -4.0964 -3.9184 -3.9184 -3.9174 -3.9174 -1.8082 -1.8082 -1.8043 -1.8043 -1.6174 -1.6174 -1.6134 -1.6134 -1.2551 -1.2551 -1.2512 -1.2512 -1.0367 -1.0367 -1.0323 -1.0323 -0.1579 -0.1579 -0.1569 -0.1569 0.1043 0.1043 0.1068 0.1068 0.7872 0.7872 0.7888 0.7888 0.8615 0.8615 0.8634 0.8634 9.7730 9.7730 9.7742 9.7742 10.2444 10.2444 10.2468 10.2468 11.5048 11.5048 11.5057 11.5057 k = 0.4531 0.5000-0.0000 ( 6376 PWs) bands (ev): -17.5150 -17.5150 -17.5148 -17.5148 -17.3530 -17.3530 -17.3528 -17.3528 -16.1486 -16.1486 -16.1480 -16.1480 -16.1196 -16.1196 -16.1190 -16.1190 -6.4991 -6.4991 -6.4977 -6.4977 -6.1657 -6.1657 -6.1640 -6.1640 -4.0928 -4.0928 -4.0920 -4.0920 -3.9146 -3.9146 -3.9138 -3.9138 -1.8068 -1.8068 -1.8038 -1.8038 -1.6144 -1.6144 -1.6113 -1.6113 -1.2630 -1.2630 -1.2600 -1.2600 -1.0464 -1.0464 -1.0430 -1.0430 -0.1303 -0.1303 -0.1292 -0.1292 0.0749 0.0749 0.0771 0.0771 0.7891 0.7891 0.7903 0.7903 0.8601 0.8601 0.8616 0.8616 9.7905 9.7905 9.7915 9.7915 10.2418 10.2418 10.2437 10.2437 11.5130 11.5130 11.5137 11.5137 k = 0.4688 0.5000-0.0000 ( 6384 PWs) bands (ev): -17.4887 -17.4887 -17.4886 -17.4886 -17.3799 -17.3799 -17.3797 -17.3797 -16.1485 -16.1485 -16.1481 -16.1481 -16.1201 -16.1201 -16.1197 -16.1197 -6.4545 -6.4545 -6.4532 -6.4532 -6.2088 -6.2088 -6.2073 -6.2073 -4.0894 -4.0894 -4.0889 -4.0889 -3.9118 -3.9118 -3.9112 -3.9112 -1.8056 -1.8056 -1.8036 -1.8036 -1.6121 -1.6121 -1.6100 -1.6100 -1.2685 -1.2685 -1.2665 -1.2665 -1.0533 -1.0533 -1.0510 -1.0510 -0.1039 -0.1039 -0.1028 -0.1028 0.0472 0.0472 0.0491 0.0491 0.7906 0.7906 0.7914 0.7914 0.8592 0.8592 0.8602 0.8602 9.8036 9.8036 9.8042 9.8042 10.2397 10.2397 10.2409 10.2409 11.5189 11.5189 11.5193 11.5193 k = 0.4844 0.5000-0.0000 ( 6392 PWs) bands (ev): -17.4626 -17.4626 -17.4624 -17.4624 -17.4065 -17.4065 -17.4063 -17.4063 -16.1484 -16.1484 -16.1482 -16.1482 -16.1204 -16.1204 -16.1202 -16.1202 -6.4172 -6.4172 -6.4162 -6.4162 -6.2448 -6.2448 -6.2438 -6.2438 -4.0873 -4.0873 -4.0870 -4.0870 -3.9100 -3.9100 -3.9097 -3.9097 -1.8046 -1.8046 -1.8036 -1.8036 -1.6105 -1.6105 -1.6094 -1.6094 -1.2717 -1.2717 -1.2707 -1.2707 -1.0572 -1.0572 -1.0561 -1.0561 -0.0814 -0.0814 -0.0805 -0.0805 0.0242 0.0242 0.0255 0.0255 0.7916 0.7916 0.7920 0.7920 0.8588 0.8588 0.8593 0.8593 9.8116 9.8116 9.8120 9.8120 10.2384 10.2384 10.2390 10.2390 11.5224 11.5224 11.5226 11.5226 k = 0.5000 0.5000-0.0000 ( 6404 PWs) bands (ev): -17.4422 -17.4422 -17.4422 -17.4422 -17.4269 -17.4269 -17.4269 -17.4269 -16.1483 -16.1483 -16.1483 -16.1483 -16.1204 -16.1204 -16.1204 -16.1204 -6.4001 -6.4001 -6.4001 -6.4001 -6.2606 -6.2606 -6.2606 -6.2606 -4.0865 -4.0865 -4.0865 -4.0865 -3.9093 -3.9093 -3.9093 -3.9093 -1.8039 -1.8039 -1.8039 -1.8039 -1.6096 -1.6096 -1.6096 -1.6096 -1.2724 -1.2724 -1.2724 -1.2724 -1.0582 -1.0582 -1.0582 -1.0582 -0.0709 -0.0709 -0.0709 -0.0709 0.0145 0.0145 0.0145 0.0145 0.7920 0.7920 0.7920 0.7920 0.8588 0.8588 0.8588 0.8588 9.8145 9.8145 9.8145 9.8145 10.2381 10.2381 10.2381 10.2381 11.5237 11.5237 11.5237 11.5237 k = 0.5000 0.5000-0.0000 ( 6404 PWs) bands (ev): -17.4422 -17.4422 -17.4422 -17.4422 -17.4269 -17.4269 -17.4269 -17.4269 -16.1483 -16.1483 -16.1483 -16.1483 -16.1204 -16.1204 -16.1204 -16.1204 -6.4001 -6.4001 -6.4001 -6.4001 -6.2606 -6.2606 -6.2606 -6.2606 -4.0865 -4.0865 -4.0865 -4.0865 -3.9093 -3.9093 -3.9093 -3.9093 -1.8039 -1.8039 -1.8039 -1.8039 -1.6096 -1.6096 -1.6096 -1.6096 -1.2724 -1.2724 -1.2724 -1.2724 -1.0582 -1.0582 -1.0582 -1.0582 -0.0709 -0.0709 -0.0709 -0.0709 0.0145 0.0145 0.0145 0.0145 0.7920 0.7920 0.7920 0.7920 0.8588 0.8588 0.8588 0.8588 9.8145 9.8145 9.8145 9.8145 10.2381 10.2381 10.2381 10.2381 11.5237 11.5237 11.5237 11.5237 k = 0.4889 0.4889-0.0000 ( 6396 PWs) bands (ev): -17.4735 -17.4734 -17.4423 -17.4422 -17.4270 -17.4269 -17.3953 -17.3952 -16.1484 -16.1483 -16.1482 -16.1482 -16.1204 -16.1203 -16.1202 -16.1201 -6.4310 -6.4309 -6.4003 -6.3999 -6.2609 -6.2605 -6.2303 -6.2302 -4.0878 -4.0874 -4.0868 -4.0867 -3.9105 -3.9101 -3.9095 -3.9094 -1.8056 -1.8042 -1.8033 -1.8033 -1.6119 -1.6104 -1.6088 -1.6088 -1.2721 -1.2714 -1.2712 -1.2699 -1.0581 -1.0579 -1.0557 -1.0549 -0.0902 -0.0900 -0.0703 -0.0702 0.0142 0.0144 0.0338 0.0340 0.7908 0.7911 0.7923 0.7928 0.8580 0.8585 0.8595 0.8600 9.8078 9.8079 9.8156 9.8159 10.2380 10.2381 10.2392 10.2394 11.5223 11.5225 11.5225 11.5227 k = 0.4778 0.4778-0.0000 ( 6384 PWs) bands (ev): -17.5109 -17.5108 -17.4424 -17.4422 -17.4272 -17.4270 -17.3567 -17.3566 -16.1487 -16.1483 -16.1483 -16.1479 -16.1202 -16.1200 -16.1199 -16.1196 -6.4916 -6.4915 -6.4003 -6.3995 -6.2614 -6.2607 -6.1714 -6.1713 -4.0913 -4.0905 -4.0877 -4.0874 -3.9134 -3.9128 -3.9100 -3.9098 -1.8092 -1.8064 -1.8014 -1.8014 -1.6171 -1.6141 -1.6065 -1.6063 -1.2705 -1.2691 -1.2663 -1.2638 -1.0574 -1.0570 -1.0479 -1.0462 -0.1274 -0.1271 -0.0685 -0.0684 0.0135 0.0140 0.0714 0.0717 0.7876 0.7881 0.7936 0.7947 0.8563 0.8573 0.8620 0.8630 9.7881 9.7883 9.8192 9.8199 10.2377 10.2381 10.2425 10.2428 11.5186 11.5190 11.5191 11.5194 k = 0.4667 0.4667-0.0000 ( 6372 PWs) bands (ev): -17.5481 -17.5480 -17.4427 -17.4423 -17.4275 -17.4272 -17.3177 -17.3175 -16.1490 -16.1484 -16.1481 -16.1475 -16.1199 -16.1193 -16.1193 -16.1188 -6.5597 -6.5596 -6.4001 -6.3989 -6.2623 -6.2612 -6.1060 -6.1058 -4.0968 -4.0958 -4.0889 -4.0885 -3.9183 -3.9173 -3.9107 -3.9105 -1.8146 -1.8104 -1.7982 -1.7982 -1.6249 -1.6207 -1.6026 -1.6024 -1.2675 -1.2654 -1.2579 -1.2543 -1.0561 -1.0555 -1.0351 -1.0327 -0.1686 -0.1683 -0.0655 -0.0654 0.0125 0.0132 0.1135 0.1138 0.7826 0.7833 0.7960 0.7977 0.8537 0.8551 0.8661 0.8676 9.7565 9.7567 9.8253 9.8263 10.2366 10.2371 10.2480 10.2484 11.5125 11.5132 11.5133 11.5137 k = 0.4556 0.4556-0.0000 ( 6368 PWs) bands (ev): -17.5849 -17.5848 -17.4430 -17.4425 -17.4279 -17.4275 -17.2782 -17.2781 -16.1494 -16.1487 -16.1478 -16.1471 -16.1193 -16.1186 -16.1185 -16.1178 -6.6304 -6.6303 -6.3998 -6.3983 -6.2633 -6.2619 -6.0390 -6.0389 -4.1045 -4.1031 -4.0907 -4.0901 -3.9250 -3.9237 -3.9117 -3.9114 -1.8214 -1.8160 -1.7938 -1.7938 -1.6351 -1.6296 -1.5971 -1.5968 -1.2629 -1.2602 -1.2464 -1.2418 -1.0544 -1.0536 -1.0178 -1.0149 -0.2107 -0.2104 -0.0614 -0.0613 0.0112 0.0121 0.1568 0.1571 0.7761 0.7770 0.7995 0.8017 0.8501 0.8520 0.8715 0.8735 9.7142 9.7145 9.8338 9.8352 10.2338 10.2345 10.2555 10.2561 11.5040 11.5048 11.5050 11.5053 k = 0.4444 0.4444-0.0000 ( 6372 PWs) bands (ev): -17.6212 -17.6211 -17.4433 -17.4427 -17.4285 -17.4279 -17.2386 -17.2385 -16.1498 -16.1489 -16.1474 -16.1465 -16.1186 -16.1177 -16.1173 -16.1166 -6.7023 -6.7022 -6.3994 -6.3975 -6.2647 -6.2629 -5.9719 -5.9718 -4.1142 -4.1124 -4.0929 -4.0921 -3.9334 -3.9318 -3.9130 -3.9125 -1.8294 -1.8229 -1.7883 -1.7883 -1.6470 -1.6405 -1.5900 -1.5897 -1.2568 -1.2533 -1.2319 -1.2265 -1.0522 -1.0513 -0.9967 -0.9934 -0.2529 -0.2526 -0.0560 -0.0559 0.0095 0.0107 0.2005 0.2008 0.7682 0.7694 0.8040 0.8068 0.8458 0.8481 0.8781 0.8806 9.6628 9.6632 9.8447 9.8466 10.2288 10.2296 10.2651 10.2658 11.4922 11.4935 11.4942 11.4950 k = 0.4333 0.4333-0.0000 ( 6380 PWs) bands (ev): -17.6569 -17.6569 -17.4437 -17.4430 -17.4291 -17.4285 -17.1988 -17.1986 -16.1502 -16.1493 -16.1470 -16.1458 -16.1176 -16.1166 -16.1160 -16.1151 -6.7748 -6.7747 -6.3990 -6.3966 -6.2663 -6.2641 -5.9053 -5.9052 -4.1258 -4.1237 -4.0955 -4.0946 -3.9435 -3.9417 -3.9144 -3.9139 -1.8382 -1.8309 -1.7816 -1.7816 -1.6603 -1.6528 -1.5814 -1.5811 -1.2490 -1.2448 -1.2151 -1.2088 -1.0498 -1.0487 -0.9726 -0.9691 -0.2948 -0.2945 -0.0496 -0.0494 0.0075 0.0088 0.2441 0.2445 0.7593 0.7607 0.8096 0.8129 0.8409 0.8436 0.8858 0.8888 9.6036 9.6040 9.8579 9.8602 10.2210 10.2219 10.2765 10.2773 11.4764 11.4780 11.4821 11.4829 k = 0.4222 0.4222-0.0000 ( 6366 PWs) bands (ev): -17.6921 -17.6921 -17.4442 -17.4434 -17.4299 -17.4291 -17.1588 -17.1586 -16.1506 -16.1496 -16.1464 -16.1450 -16.1166 -16.1153 -16.1145 -16.1135 -6.8475 -6.8474 -6.3984 -6.3957 -6.2682 -6.2657 -5.8395 -5.8394 -4.1392 -4.1368 -4.0984 -4.0973 -3.9552 -3.9531 -3.9159 -3.9153 -1.8477 -1.8395 -1.7739 -1.7738 -1.6744 -1.6662 -1.5713 -1.5710 -1.2396 -1.2347 -1.1961 -1.1893 -1.0470 -1.0458 -0.9459 -0.9424 -0.3361 -0.3357 -0.0420 -0.0417 0.0050 0.0066 0.2872 0.2877 0.7493 0.7511 0.8163 0.8201 0.8355 0.8386 0.8945 0.8981 9.5377 9.5381 9.8734 9.8762 10.2103 10.2115 10.2896 10.2905 11.4561 11.4583 11.4683 11.4693 k = 0.4111 0.4111-0.0000 ( 6350 PWs) bands (ev): -17.7267 -17.7267 -17.4447 -17.4438 -17.4307 -17.4298 -17.1187 -17.1186 -16.1510 -16.1499 -16.1457 -16.1442 -16.1153 -16.1139 -16.1128 -16.1118 -6.9203 -6.9202 -6.3978 -6.3947 -6.2703 -6.2675 -5.7746 -5.7745 -4.1543 -4.1516 -4.1016 -4.1004 -3.9684 -3.9661 -3.9175 -3.9168 -1.8575 -1.8486 -1.7651 -1.7651 -1.6891 -1.6802 -1.5597 -1.5593 -1.2288 -1.2232 -1.1756 -1.1682 -1.0441 -1.0428 -0.9174 -0.9139 -0.3766 -0.3762 -0.0333 -0.0329 0.0022 0.0041 0.3297 0.3303 0.7385 0.7406 0.8239 0.8284 0.8302 0.8335 0.9042 0.9083 9.4662 9.4666 9.8909 9.8942 10.1968 10.1982 10.3041 10.3050 11.4312 11.4339 11.4532 11.4541 k = 0.4000 0.4000-0.0000 ( 6340 PWs) bands (ev): -17.7607 -17.7607 -17.4453 -17.4443 -17.4316 -17.4306 -17.0786 -17.0784 -16.1514 -16.1502 -16.1449 -16.1432 -16.1139 -16.1123 -16.1109 -16.1099 -6.9930 -6.9929 -6.3971 -6.3937 -6.2727 -6.2696 -5.7109 -5.7108 -4.1709 -4.1680 -4.1051 -4.1037 -3.9830 -3.9805 -3.9191 -3.9184 -1.8674 -1.8580 -1.7555 -1.7554 -1.7040 -1.6945 -1.5465 -1.5461 -1.2166 -1.2105 -1.1540 -1.1461 -1.0411 -1.0397 -0.8874 -0.8841 -0.4162 -0.4157 -0.0236 -0.0230 -0.0009 0.0011 0.3712 0.3718 0.7270 0.7295 0.8243 0.8284 0.8332 0.8378 0.9149 0.9196 9.3900 9.3903 9.9103 9.9141 10.1809 10.1826 10.3195 10.3205 11.4014 11.4048 11.4368 11.4378 k = 0.3889 0.3889-0.0000 ( 6338 PWs) bands (ev): -17.7941 -17.7940 -17.4460 -17.4449 -17.4326 -17.4316 -17.0384 -17.0383 -16.1517 -16.1505 -16.1440 -16.1422 -16.1123 -16.1106 -16.1090 -16.1079 -7.0654 -7.0653 -6.3964 -6.3927 -6.2755 -6.2720 -5.6484 -5.6483 -4.1889 -4.1857 -4.1087 -4.1072 -3.9989 -3.9962 -3.9207 -3.9199 -1.8772 -1.8673 -1.7450 -1.7449 -1.7187 -1.7088 -1.5318 -1.5314 -1.2034 -1.1966 -1.1316 -1.1235 -1.0380 -1.0367 -0.8565 -0.8534 -0.4546 -0.4541 -0.0129 -0.0122 -0.0044 -0.0022 0.4112 0.4120 0.7149 0.7178 0.8195 0.8238 0.8430 0.8482 0.9266 0.9319 9.3099 9.3102 9.9309 9.9355 10.1631 10.1652 10.3356 10.3366 11.3671 11.3713 11.4195 11.4204 k = 0.3778 0.3778-0.0000 ( 6328 PWs) bands (ev): -17.8267 -17.8267 -17.4467 -17.4455 -17.4337 -17.4326 -16.9984 -16.9982 -16.1520 -16.1508 -16.1430 -16.1411 -16.1106 -16.1087 -16.1069 -16.1058 -7.1374 -7.1373 -6.3957 -6.3917 -6.2784 -6.2748 -5.5872 -5.5871 -4.2082 -4.2048 -4.1126 -4.1108 -4.0159 -4.0131 -3.9221 -3.9213 -1.8867 -1.8765 -1.7338 -1.7336 -1.7330 -1.7227 -1.5156 -1.5153 -1.1893 -1.1820 -1.1091 -1.1007 -1.0350 -1.0338 -0.8249 -0.8222 -0.4917 -0.4911 -0.0084 -0.0059 -0.0012 -0.0003 0.4493 0.4503 0.7025 0.7057 0.8157 0.8202 0.8540 0.8597 0.9394 0.9451 9.2265 9.2268 9.9521 9.9576 10.1444 10.1471 10.3515 10.3526 11.3292 11.3343 11.4013 11.4021 k = 0.3667 0.3667-0.0000 ( 6332 PWs) bands (ev): -17.8587 -17.8586 -17.4474 -17.4461 -17.4348 -17.4336 -16.9584 -16.9582 -16.1523 -16.1510 -16.1419 -16.1398 -16.1087 -16.1068 -16.1047 -16.1036 -7.2089 -7.2088 -6.3950 -6.3907 -6.2817 -6.2778 -5.5275 -5.5273 -4.2286 -4.2250 -4.1165 -4.1146 -4.0339 -4.0310 -3.9235 -3.9225 -1.8959 -1.8854 -1.7470 -1.7363 -1.7218 -1.7217 -1.4980 -1.4976 -1.1746 -1.1668 -1.0869 -1.0784 -1.0321 -1.0310 -0.7931 -0.7908 -0.5271 -0.5264 -0.0127 -0.0100 0.0111 0.0123 0.4848 0.4862 0.6899 0.6935 0.8138 0.8183 0.8661 0.8722 0.9531 0.9594 9.1405 9.1408 9.9720 9.9785 10.1268 10.1304 10.3666 10.3677 11.2892 11.2950 11.3825 11.3832 k = 0.3556 0.3556-0.0000 ( 6328 PWs) bands (ev): -17.8899 -17.8899 -17.4482 -17.4468 -17.4361 -17.4348 -16.9186 -16.9184 -16.1525 -16.1512 -16.1408 -16.1386 -16.1067 -16.1046 -16.1024 -16.1013 -7.2798 -7.2797 -6.3944 -6.3898 -6.2853 -6.2811 -5.4692 -5.4690 -4.2500 -4.2462 -4.1206 -4.1184 -4.0527 -4.0497 -3.9246 -3.9236 -1.9047 -1.8938 -1.7601 -1.7492 -1.7094 -1.7092 -1.4788 -1.4784 -1.1596 -1.1513 -1.0656 -1.0571 -1.0292 -1.0283 -0.7613 -0.7596 -0.5606 -0.5597 -0.0172 -0.0143 0.0241 0.0255 0.5168 0.5187 0.6774 0.6815 0.8146 0.8191 0.8792 0.8858 0.9677 0.9746 9.0526 9.0528 9.9868 9.9944 10.1146 10.1190 10.3798 10.3810 11.2489 11.2554 11.3631 11.3637 k = 0.3444 0.3444-0.0000 ( 6324 PWs) bands (ev): -17.9204 -17.9204 -17.4490 -17.4476 -17.4374 -17.4360 -16.8790 -16.8788 -16.1526 -16.1513 -16.1395 -16.1372 -16.1046 -16.1024 -16.1001 -16.0990 -7.3499 -7.3498 -6.3938 -6.3890 -6.2892 -6.2848 -5.4124 -5.4123 -4.2722 -4.2682 -4.1248 -4.1223 -4.0720 -4.0691 -3.9254 -3.9244 -1.9128 -1.9018 -1.7725 -1.7613 -1.6966 -1.6963 -1.4583 -1.4579 -1.1447 -1.1361 -1.0459 -1.0376 -1.0260 -1.0256 -0.7299 -0.7287 -0.5916 -0.5905 -0.0221 -0.0190 0.0374 0.0393 0.5444 0.5470 0.6652 0.6697 0.8192 0.8234 0.8934 0.9004 0.9834 0.9907 8.9631 8.9634 9.9907 9.9983 10.1151 10.1193 10.3899 10.3911 11.2105 11.2175 11.3433 11.3437 k = 0.3333 0.3333-0.0000 ( 6322 PWs) bands (ev): -17.9501 -17.9501 -17.4499 -17.4484 -17.4387 -17.4373 -16.8397 -16.8395 -16.1527 -16.1514 -16.1382 -16.1358 -16.1024 -16.1001 -16.0977 -16.0966 -7.4193 -7.4192 -6.3934 -6.3884 -6.2933 -6.2887 -5.3573 -5.3572 -4.2950 -4.2910 -4.1295 -4.1265 -4.0914 -4.0888 -3.9260 -3.9249 -1.9203 -1.9091 -1.7840 -1.7725 -1.6834 -1.6831 -1.4363 -1.4360 -1.1304 -1.1216 -1.0286 -1.0239 -1.0227 -1.0191 -0.6989 -0.6984 -0.6198 -0.6183 -0.0271 -0.0238 0.0510 0.0533 0.5666 0.5700 0.6537 0.6587 0.8287 0.8324 0.9086 0.9160 0.9999 1.0077 8.8726 8.8729 9.9809 9.9872 10.1313 10.1340 10.3952 10.3965 11.1762 11.1837 11.3232 11.3234 k = 0.3222 0.3222-0.0000 ( 6332 PWs) bands (ev): -17.9791 -17.9790 -17.4508 -17.4493 -17.4401 -17.4387 -16.8007 -16.8005 -16.1527 -16.1514 -16.1368 -16.1343 -16.1000 -16.0977 -16.0953 -16.0942 -7.4877 -7.4876 -6.3931 -6.3879 -6.2977 -6.2930 -5.3039 -5.3037 -4.3184 -4.3142 -4.1359 -4.1319 -4.1094 -4.1076 -3.9261 -3.9250 -1.9272 -1.9158 -1.7945 -1.7829 -1.6701 -1.6697 -1.4131 -1.4127 -1.1172 -1.1085 -1.0196 -1.0191 -1.0140 -1.0059 -0.6690 -0.6688 -0.6445 -0.6424 -0.0323 -0.0289 0.0645 0.0672 0.5829 0.5873 0.6432 0.6487 0.8435 0.8467 0.9247 0.9325 1.0173 1.0256 8.7815 8.7818 9.9613 9.9664 10.1583 10.1594 10.3943 10.3957 11.1486 11.1563 11.3028 11.3029 k = 0.3111 0.3111-0.0000 ( 6324 PWs) bands (ev): -18.0072 -18.0072 -17.4517 -17.4501 -17.4415 -17.4401 -16.7621 -16.7619 -16.1527 -16.1514 -16.1354 -16.1328 -16.0976 -16.0952 -16.0929 -16.0918 -7.5550 -7.5549 -6.3929 -6.3875 -6.3024 -6.2975 -5.2521 -5.2520 -4.3422 -4.3379 -4.1473 -4.1421 -4.1226 -4.1218 -3.9259 -3.9247 -1.9333 -1.9218 -1.8039 -1.7922 -1.6567 -1.6563 -1.3886 -1.3883 -1.1061 -1.0979 -1.0150 -1.0134 -1.0040 -0.9964 -0.6650 -0.6626 -0.6401 -0.6395 -0.0375 -0.0339 0.0775 0.0808 0.5935 0.5988 0.6341 0.6401 0.8636 0.8663 0.9418 0.9500 1.0356 1.0442 8.6903 8.6905 9.9366 9.9408 10.1912 10.1912 10.3856 10.3873 11.1296 11.1373 11.2822 11.2823 k = 0.3000 0.3000-0.0000 ( 6328 PWs) bands (ev): -18.0345 -18.0345 -17.4527 -17.4511 -17.4430 -17.4415 -16.7240 -16.7238 -16.1526 -16.1513 -16.1339 -16.1312 -16.0952 -16.0926 -16.0904 -16.0894 -7.6212 -7.6211 -6.3929 -6.3874 -6.3073 -6.3024 -5.2021 -5.2020 -4.3662 -4.3619 -4.1649 -4.1597 -4.1295 -4.1285 -3.9252 -3.9240 -1.9386 -1.9271 -1.8123 -1.8004 -1.6433 -1.6428 -1.3630 -1.3627 -1.0979 -1.0904 -1.0087 -1.0058 -0.9987 -0.9918 -0.6807 -0.6774 -0.6129 -0.6114 -0.0426 -0.0388 0.0898 0.0937 0.5993 0.6055 0.6268 0.6333 0.8882 0.8903 0.9599 0.9683 1.0545 1.0636 8.5991 8.5993 9.9093 9.9129 10.2267 10.2276 10.3684 10.3705 11.1206 11.1281 11.2615 11.2618 k = 0.2889 0.2889-0.0000 ( 6340 PWs) bands (ev): -18.0610 -18.0610 -17.4537 -17.4520 -17.4445 -17.4430 -16.6864 -16.6861 -16.1524 -16.1512 -16.1323 -16.1296 -16.0926 -16.0900 -16.0879 -16.0869 -7.6862 -7.6861 -6.3931 -6.3874 -6.3125 -6.3074 -5.1538 -5.1537 -4.3904 -4.3860 -4.1853 -4.1803 -4.1334 -4.1321 -3.9241 -3.9229 -1.9432 -1.9316 -1.8196 -1.8076 -1.6302 -1.6295 -1.3364 -1.3361 -1.0932 -1.0866 -1.0012 -0.9977 -0.9969 -0.9916 -0.6915 -0.6872 -0.5868 -0.5845 -0.0474 -0.0435 0.1010 0.1054 0.6016 0.6085 0.6217 0.6287 0.9159 0.9177 0.9788 0.9875 1.0742 1.0836 8.5085 8.5087 9.8808 9.8839 10.2648 10.2663 10.3426 10.3451 11.1220 11.1291 11.2410 11.2415 k = 0.2778 0.2778-0.0000 ( 6332 PWs) bands (ev): -18.0866 -18.0866 -17.4547 -17.4530 -17.4461 -17.4445 -16.6493 -16.6491 -16.1522 -16.1510 -16.1307 -16.1280 -16.0900 -16.0873 -16.0854 -16.0845 -7.7498 -7.7497 -6.3934 -6.3877 -6.3179 -6.3128 -5.1074 -5.1073 -4.4146 -4.4102 -4.2066 -4.2018 -4.1360 -4.1345 -3.9225 -3.9212 -1.9469 -1.9353 -1.8257 -1.8136 -1.6172 -1.6165 -1.3089 -1.3086 -1.0921 -1.0863 -1.0048 -1.0000 -0.9888 -0.9827 -0.6975 -0.6924 -0.5620 -0.5589 -0.0517 -0.0478 0.1107 0.1156 0.6014 0.6089 0.6192 0.6267 0.9459 0.9474 0.9986 1.0074 1.0944 1.1041 8.4187 8.4189 9.8517 9.8545 10.3045 10.3066 10.3091 10.3120 11.1332 11.1398 11.2209 11.2217 k = 0.2667 0.2667-0.0000 ( 6334 PWs) bands (ev): -18.1113 -18.1113 -17.4557 -17.4540 -17.4476 -17.4460 -16.6130 -16.6127 -16.1520 -16.1508 -16.1291 -16.1263 -16.0874 -16.0846 -16.0829 -16.0820 -7.8120 -7.8119 -6.3940 -6.3882 -6.3235 -6.3183 -5.0627 -5.0626 -4.4387 -4.4343 -4.2283 -4.2236 -4.1378 -4.1361 -3.9204 -3.9192 -1.9497 -1.9381 -1.8307 -1.8185 -1.6048 -1.6039 -1.2806 -1.2803 -1.0943 -1.0889 -1.0146 -1.0106 -0.9766 -0.9695 -0.6999 -0.6939 -0.5386 -0.5348 -0.0554 -0.0514 0.1186 0.1240 0.5998 0.6076 0.6197 0.6275 0.9769 0.9785 1.0191 1.0280 1.1151 1.1251 8.3299 8.3301 9.8226 9.8252 10.2689 10.2723 10.3455 10.3480 11.1530 11.1589 11.2015 11.2026 k = 0.2556 0.2556-0.0000 ( 6339 PWs) bands (ev): -18.1352 -18.1351 -17.4567 -17.4550 -17.4492 -17.4476 -16.5773 -16.5771 -16.1517 -16.1506 -16.1274 -16.1246 -16.0847 -16.0819 -16.0804 -16.0796 -7.8726 -7.8725 -6.3947 -6.3889 -6.3292 -6.3241 -5.0199 -5.0198 -4.4625 -4.4581 -4.2499 -4.2454 -4.1389 -4.1372 -3.9178 -3.9166 -1.9517 -1.9401 -1.8344 -1.8222 -1.5928 -1.5919 -1.2519 -1.2516 -1.0992 -1.0941 -1.0280 -1.0247 -0.9632 -0.9553 -0.6996 -0.6930 -0.5167 -0.5121 -0.0583 -0.0542 0.1245 0.1304 0.5972 0.6055 0.6233 0.6313 1.0085 1.0102 1.0405 1.0492 1.1362 1.1465 8.2426 8.2427 9.7938 9.7962 10.2238 10.2276 10.3871 10.3899 11.1783 11.1826 11.1857 11.1862 k = 0.2444 0.2444-0.0000 ( 6347 PWs) bands (ev): -18.1581 -18.1581 -17.4577 -17.4560 -17.4507 -17.4492 -16.5424 -16.5422 -16.1514 -16.1503 -16.1257 -16.1229 -16.0821 -16.0792 -16.0780 -16.0773 -7.9315 -7.9315 -6.3957 -6.3898 -6.3351 -6.3300 -4.9790 -4.9789 -4.4861 -4.4817 -4.2714 -4.2670 -4.1396 -4.1377 -3.9148 -3.9136 -1.9528 -1.9413 -1.8370 -1.8247 -1.5816 -1.5805 -1.2227 -1.2225 -1.1063 -1.1013 -1.0438 -1.0410 -0.9493 -0.9409 -0.6981 -0.6910 -0.4963 -0.4909 -0.0601 -0.0560 0.1284 0.1346 0.5944 0.6028 0.6300 0.6381 1.0397 1.0421 1.0628 1.0709 1.1576 1.1681 8.1568 8.1570 9.7655 9.7677 10.1752 10.1794 10.4285 10.4317 11.1666 11.1678 11.2126 11.2165 k = 0.2333 0.2333-0.0000 ( 6347 PWs) bands (ev): -18.1801 -18.1801 -17.4587 -17.4571 -17.4523 -17.4507 -16.5084 -16.5082 -16.1511 -16.1500 -16.1240 -16.1212 -16.0795 -16.0766 -16.0756 -16.0749 -7.9888 -7.9887 -6.3968 -6.3910 -6.3412 -6.3360 -4.9399 -4.9398 -4.5092 -4.5049 -4.2926 -4.2882 -4.1397 -4.1378 -3.9114 -3.9102 -1.9530 -1.9416 -1.8383 -1.8261 -1.5712 -1.5700 -1.1936 -1.1935 -1.1155 -1.1104 -1.0607 -1.0584 -0.9354 -0.9265 -0.6963 -0.6889 -0.4773 -0.4713 -0.0607 -0.0566 0.1302 0.1366 0.5915 0.6001 0.6399 0.6479 1.0699 1.0738 1.0864 1.0930 1.1792 1.1898 8.0730 8.0731 9.7379 9.7399 10.1245 10.1289 10.4693 10.4728 11.1523 11.1539 11.2485 11.2514 k = 0.2222 0.2222-0.0000 ( 6351 PWs) bands (ev): -18.2012 -18.2011 -17.4598 -17.4581 -17.4538 -17.4523 -16.4754 -16.4751 -16.1507 -16.1496 -16.1223 -16.1195 -16.0768 -16.0739 -16.0732 -16.0726 -8.0441 -8.0441 -6.3981 -6.3924 -6.3472 -6.3422 -4.9026 -4.9026 -4.5318 -4.5276 -4.3134 -4.3091 -4.1392 -4.1373 -3.9075 -3.9063 -1.9523 -1.9410 -1.8385 -1.8262 -1.5619 -1.5605 -1.1653 -1.1653 -1.1263 -1.1209 -1.0774 -1.0755 -0.9216 -0.9124 -0.6952 -0.6876 -0.4597 -0.4531 -0.0600 -0.0559 0.1301 0.1367 0.5888 0.5975 0.6525 0.6604 1.0977 1.1049 1.1121 1.1155 1.2007 1.2115 7.9912 7.9914 9.7111 9.7130 10.0725 10.0772 10.5083 10.5121 11.1412 11.1431 11.2866 11.2882 k = 0.2111 0.2111-0.0000 ( 6359 PWs) bands (ev): -18.2213 -18.2213 -17.4608 -17.4591 -17.4553 -17.4538 -16.4433 -16.4430 -16.1503 -16.1493 -16.1205 -16.1178 -16.0743 -16.0713 -16.0708 -16.0704 -8.0976 -8.0975 -6.3996 -6.3940 -6.3534 -6.3484 -4.8672 -4.8672 -4.5538 -4.5497 -4.3336 -4.3295 -4.1383 -4.1364 -3.9033 -3.9021 -1.9507 -1.9395 -1.8374 -1.8252 -1.5538 -1.5523 -1.1431 -1.1426 -1.1356 -1.1304 -1.0912 -1.0896 -0.9081 -0.8989 -0.6952 -0.6875 -0.4436 -0.4364 -0.0579 -0.0538 0.1284 0.1350 0.5865 0.5952 0.6677 0.6753 1.1230 1.1352 1.1383 1.1399 1.2222 1.2331 7.9119 7.9120 9.6853 9.6871 10.0203 10.0250 10.5447 10.5487 11.1342 11.1364 11.3250 11.3251 k = 0.2000 0.2000-0.0000 ( 6359 PWs) bands (ev): -18.2404 -18.2404 -17.4617 -17.4601 -17.4568 -17.4553 -16.4123 -16.4119 -16.1499 -16.1489 -16.1188 -16.1162 -16.0718 -16.0688 -16.0685 -16.0682 -8.1489 -8.1489 -6.4013 -6.3957 -6.3595 -6.3547 -4.8337 -4.8337 -4.5751 -4.5711 -4.3533 -4.3493 -4.1370 -4.1351 -3.8987 -3.8976 -1.9482 -1.9371 -1.8351 -1.8229 -1.5471 -1.5454 -1.1539 -1.1490 -1.1286 -1.1275 -1.0893 -1.0881 -0.8952 -0.8860 -0.6967 -0.6890 -0.4288 -0.4212 -0.0545 -0.0503 0.1253 0.1319 0.5846 0.5933 0.6849 0.6922 1.1468 1.1610 1.1648 1.1684 1.2434 1.2544 7.8350 7.8351 9.6605 9.6623 9.9684 9.9732 10.5772 10.5814 11.1326 11.1350 11.3603 11.3620 k = 0.1889 0.1889-0.0000 ( 6353 PWs) bands (ev): -18.2586 -18.2586 -17.4627 -17.4611 -17.4582 -17.4568 -16.3824 -16.3821 -16.1494 -16.1485 -16.1171 -16.1146 -16.0694 -16.0663 -16.0663 -16.0660 -8.1982 -8.1981 -6.4030 -6.3977 -6.3656 -6.3609 -4.8021 -4.8021 -4.5956 -4.5918 -4.3723 -4.3685 -4.1352 -4.1334 -3.8938 -3.8928 -1.9448 -1.9338 -1.8317 -1.8195 -1.5421 -1.5401 -1.1692 -1.1637 -1.1383 -1.1375 -1.0670 -1.0661 -0.8828 -0.8737 -0.6998 -0.6923 -0.4154 -0.4073 -0.0496 -0.0455 0.1213 0.1277 0.5832 0.5917 0.7038 0.7107 1.1701 1.1838 1.1933 1.1964 1.2643 1.2753 7.7610 7.7611 9.6369 9.6386 9.9174 9.9222 10.6047 10.6089 11.1374 11.1399 11.3918 11.3956 k = 0.1778 0.1778-0.0000 ( 6357 PWs) bands (ev): -18.2758 -18.2758 -17.4636 -17.4621 -17.4596 -17.4582 -16.3538 -16.3534 -16.1490 -16.1481 -16.1155 -16.1130 -16.0671 -16.0642 -16.0641 -16.0638 -8.2452 -8.2452 -6.4049 -6.3997 -6.3716 -6.3671 -4.7723 -4.7723 -4.6153 -4.6117 -4.3906 -4.3869 -4.1331 -4.1313 -3.8888 -3.8877 -1.9404 -1.9296 -1.8270 -1.8149 -1.5388 -1.5366 -1.1860 -1.1800 -1.1516 -1.1510 -1.0403 -1.0395 -0.8711 -0.8622 -0.7046 -0.6973 -0.4032 -0.3948 -0.0435 -0.0394 0.1165 0.1228 0.5822 0.5906 0.7237 0.7302 1.1930 1.2065 1.2206 1.2235 1.2846 1.2956 7.6899 7.6900 9.6146 9.6161 9.8678 9.8726 10.6261 10.6303 11.1495 11.1521 11.4180 11.4240 k = 0.1667 0.1667-0.0000 ( 6357 PWs) bands (ev): -18.2921 -18.2920 -17.4645 -17.4631 -17.4609 -17.4596 -16.3264 -16.3260 -16.1486 -16.1477 -16.1139 -16.1115 -16.0649 -16.0622 -16.0619 -16.0615 -8.2899 -8.2899 -6.4069 -6.4019 -6.3775 -6.3731 -4.7444 -4.7444 -4.6341 -4.6307 -4.4080 -4.4045 -4.1307 -4.1290 -3.8835 -3.8826 -1.9351 -1.9245 -1.8211 -1.8091 -1.5375 -1.5351 -1.2039 -1.1976 -1.1644 -1.1639 -1.0133 -1.0125 -0.8600 -0.8514 -0.7110 -0.7038 -0.3921 -0.3836 -0.0363 -0.0323 0.1113 0.1174 0.5818 0.5899 0.7443 0.7504 1.2155 1.2289 1.2466 1.2495 1.3043 1.3152 7.6219 7.6220 9.5934 9.5949 9.8198 9.8245 10.6412 10.6451 11.1692 11.1717 11.4378 11.4460 k = 0.1556 0.1556-0.0000 ( 6353 PWs) bands (ev): -18.3073 -18.3073 -17.4654 -17.4640 -17.4622 -17.4610 -16.3004 -16.3000 -16.1481 -16.1474 -16.1123 -16.1100 -16.0628 -16.0604 -16.0598 -16.0593 -8.3322 -8.3321 -6.4090 -6.4042 -6.3832 -6.3791 -4.7185 -4.7183 -4.6519 -4.6486 -4.4246 -4.4213 -4.1280 -4.1263 -3.8782 -3.8773 -1.9290 -1.9185 -1.8141 -1.8021 -1.5383 -1.5356 -1.2228 -1.2162 -1.1757 -1.1754 -0.9868 -0.9860 -0.8497 -0.8414 -0.7186 -0.7118 -0.3822 -0.3736 -0.0283 -0.0243 0.1059 0.1118 0.5817 0.5896 0.7653 0.7709 1.2375 1.2509 1.2713 1.2742 1.3232 1.3341 7.5574 7.5575 9.5736 9.5750 9.7739 9.7785 10.6501 10.6537 11.1959 11.1983 11.4509 11.4611 k = 0.1444 0.1444-0.0000 ( 6353 PWs) bands (ev): -18.3215 -18.3215 -17.4662 -17.4649 -17.4634 -17.4622 -16.2758 -16.2753 -16.1477 -16.1470 -16.1108 -16.1086 -16.0609 -16.0587 -16.0579 -16.0573 -8.3720 -8.3719 -6.4110 -6.4065 -6.3887 -6.3848 -4.6948 -4.6943 -4.6682 -4.6655 -4.4402 -4.4371 -4.1251 -4.1235 -3.8729 -3.8720 -1.9219 -1.9116 -1.8060 -1.7941 -1.5412 -1.5383 -1.2427 -1.2358 -1.1854 -1.1852 -0.9614 -0.9605 -0.8401 -0.8322 -0.7273 -0.7208 -0.3733 -0.3647 -0.0195 -0.0157 0.1005 0.1061 0.5821 0.5896 0.7861 0.7913 1.2590 1.2724 1.2946 1.2976 1.3412 1.3519 7.4963 7.4964 9.5552 9.5564 9.7303 9.7347 10.6535 10.6568 11.2285 11.2307 11.4582 11.4700 k = 0.1333 0.1333-0.0000 ( 6369 PWs) bands (ev): -18.3347 -18.3346 -17.4670 -17.4657 -17.4646 -17.4635 -16.2526 -16.2522 -16.1473 -16.1466 -16.1093 -16.1073 -16.0592 -16.0571 -16.0560 -16.0554 -8.4092 -8.4092 -6.4131 -6.4088 -6.3940 -6.3903 -4.6866 -4.6831 -4.6702 -4.6697 -4.4549 -4.4520 -4.1221 -4.1206 -3.8676 -3.8668 -1.9140 -1.9040 -1.7967 -1.7850 -1.5462 -1.5430 -1.2634 -1.2562 -1.1933 -1.1933 -0.9371 -0.9362 -0.8313 -0.8238 -0.7367 -0.7307 -0.3654 -0.3569 -0.0104 -0.0067 0.0953 0.1006 0.5828 0.5899 0.8065 0.8113 1.2799 1.2932 1.3163 1.3195 1.3581 1.3687 7.4390 7.4391 9.5380 9.5392 9.6892 9.6934 10.6526 10.6556 11.2653 11.2674 11.4609 11.4738 k = 0.1222 0.1222-0.0000 ( 6363 PWs) bands (ev): -18.3468 -18.3468 -17.4677 -17.4665 -17.4657 -17.4646 -16.2310 -16.2306 -16.1468 -16.1462 -16.1080 -16.1060 -16.0575 -16.0556 -16.0542 -16.0536 -8.4437 -8.4437 -6.4151 -6.4111 -6.3991 -6.3956 -4.7002 -4.6972 -4.6505 -4.6502 -4.4686 -4.4659 -4.1190 -4.1176 -3.8624 -3.8617 -1.9053 -1.8955 -1.7864 -1.7748 -1.5531 -1.5497 -1.2846 -1.2772 -1.1996 -1.1995 -0.9143 -0.9133 -0.8231 -0.8162 -0.7466 -0.7410 -0.3583 -0.3502 -0.0010 0.0026 0.0904 0.0954 0.5837 0.5905 0.8263 0.8306 1.2999 1.3133 1.3365 1.3399 1.3740 1.3843 7.3856 7.3857 9.5223 9.5234 9.6508 9.6547 10.6486 10.6512 11.3047 11.3066 11.4604 11.4741 k = 0.1111 0.1111-0.0000 ( 6367 PWs) bands (ev): -18.3579 -18.3579 -17.4684 -17.4673 -17.4666 -17.4657 -16.2111 -16.2106 -16.1464 -16.1459 -16.1067 -16.1049 -16.0561 -16.0542 -16.0525 -16.0520 -8.4756 -8.4755 -6.4170 -6.4133 -6.4037 -6.4006 -4.7135 -4.7108 -4.6318 -4.6316 -4.4811 -4.4787 -4.1158 -4.1146 -3.8575 -3.8568 -1.8958 -1.8863 -1.7751 -1.7638 -1.5618 -1.5582 -1.3063 -1.2987 -1.2043 -1.2042 -0.8931 -0.8919 -0.8157 -0.8094 -0.7566 -0.7516 -0.3521 -0.3443 0.0084 0.0118 0.0858 0.0904 0.5848 0.5911 0.8451 0.8490 1.3190 1.3325 1.3551 1.3588 1.3885 1.3986 7.3362 7.3363 9.5079 9.5089 9.6152 9.6189 10.6425 10.6447 11.3447 11.3466 11.4582 11.4723 k = 0.1000 0.1000-0.0000 ( 6369 PWs) bands (ev): -18.3680 -18.3680 -17.4690 -17.4680 -17.4675 -17.4667 -16.1928 -16.1922 -16.1460 -16.1456 -16.1055 -16.1038 -16.0548 -16.0530 -16.0510 -16.0506 -8.5046 -8.5046 -6.4189 -6.4155 -6.4081 -6.4052 -4.7258 -4.7234 -4.6148 -4.6147 -4.4926 -4.4904 -4.1128 -4.1116 -3.8527 -3.8521 -1.8856 -1.8765 -1.7629 -1.7518 -1.5720 -1.5682 -1.3283 -1.3205 -1.2077 -1.2075 -0.8736 -0.8723 -0.8089 -0.8032 -0.7664 -0.7620 -0.3466 -0.3393 0.0176 0.0208 0.0817 0.0859 0.5861 0.5919 0.8628 0.8662 1.3371 1.3506 1.3720 1.3760 1.4017 1.4115 7.2910 7.2911 9.4949 9.4958 9.5827 9.5860 10.6351 10.6371 11.3838 11.3857 11.4554 11.4694 k = 0.0889 0.0889-0.0000 ( 6367 PWs) bands (ev): -18.3771 -18.3770 -17.4695 -17.4687 -17.4684 -17.4676 -16.1762 -16.1756 -16.1456 -16.1453 -16.1044 -16.1029 -16.0536 -16.0519 -16.0497 -16.0493 -8.5307 -8.5307 -6.4206 -6.4176 -6.4121 -6.4094 -4.7369 -4.7348 -4.5997 -4.5995 -4.5029 -4.5009 -4.1098 -4.1088 -3.8483 -3.8477 -1.8749 -1.8662 -1.7499 -1.7392 -1.5834 -1.5795 -1.3502 -1.3424 -1.2099 -1.2097 -0.8561 -0.8546 -0.8030 -0.7978 -0.7756 -0.7721 -0.3418 -0.3351 0.0264 0.0293 0.0780 0.0818 0.5875 0.5927 0.8791 0.8821 1.3541 1.3676 1.3871 1.3916 1.4134 1.4228 7.2502 7.2503 9.4832 9.4841 9.5533 9.5563 10.6272 10.6289 11.4200 11.4224 11.4531 11.4666 k = 0.0778 0.0778-0.0000 ( 6359 PWs) bands (ev): -18.3850 -18.3850 -17.4700 -17.4693 -17.4691 -17.4684 -16.1614 -16.1607 -16.1452 -16.1450 -16.1033 -16.1020 -16.0526 -16.0510 -16.0485 -16.0482 -8.5539 -8.5539 -6.4222 -6.4195 -6.4156 -6.4133 -4.7468 -4.7449 -4.5863 -4.5862 -4.5121 -4.5103 -4.1071 -4.1062 -3.8442 -3.8437 -1.8637 -1.8554 -1.7363 -1.7260 -1.5956 -1.5916 -1.3719 -1.3640 -1.2113 -1.2111 -0.8408 -0.8390 -0.7981 -0.7931 -0.7836 -0.7813 -0.3377 -0.3316 0.0346 0.0373 0.0749 0.0782 0.5888 0.5935 0.8938 0.8965 1.3697 1.3834 1.4004 1.4054 1.4237 1.4326 7.2138 7.2139 9.4730 9.4738 9.5271 9.5298 10.6193 10.6207 11.4450 11.4549 11.4593 11.4649 k = 0.0667 0.0667-0.0000 ( 6361 PWs) bands (ev): -18.3920 -18.3920 -17.4705 -17.4698 -17.4697 -17.4691 -16.1491 -16.1478 -16.1446 -16.1441 -16.1024 -16.1013 -16.0517 -16.0503 -16.0475 -16.0473 -8.5742 -8.5742 -6.4236 -6.4213 -6.4187 -6.4167 -4.7554 -4.7537 -4.5748 -4.5747 -4.5200 -4.5185 -4.1045 -4.1038 -3.8406 -3.8402 -1.8523 -1.8445 -1.7223 -1.7125 -1.6082 -1.6042 -1.3929 -1.3852 -1.2120 -1.2118 -0.8278 -0.8257 -0.7967 -0.7911 -0.7876 -0.7874 -0.3341 -0.3287 0.0421 0.0445 0.0722 0.0750 0.5902 0.5942 0.9069 0.9092 1.3839 1.3977 1.4119 1.4176 1.4325 1.4407 7.1821 7.1821 9.4640 9.4648 9.5044 9.5066 10.6118 10.6129 11.4469 11.4617 11.4851 11.4852 k = 0.0556 0.0556-0.0000 ( 6359 PWs) bands (ev): -18.3978 -18.3978 -17.4708 -17.4703 -17.4702 -17.4697 -16.1454 -16.1448 -16.1363 -16.1362 -16.1017 -16.1007 -16.0510 -16.0497 -16.0467 -16.0466 -8.5914 -8.5914 -6.4248 -6.4228 -6.4213 -6.4197 -4.7627 -4.7613 -4.5651 -4.5650 -4.5266 -4.5254 -4.1023 -4.1016 -3.8374 -3.8371 -1.8408 -1.8337 -1.7082 -1.6991 -1.6207 -1.6168 -1.4129 -1.4056 -1.2123 -1.2121 -0.8180 -0.8154 -0.8002 -0.7969 -0.7852 -0.7845 -0.3311 -0.3265 0.0486 0.0508 0.0700 0.0723 0.5914 0.5949 0.9182 0.9201 1.3967 1.4105 1.4214 1.4279 1.4397 1.4471 7.1550 7.1550 9.4564 9.4571 9.4851 9.4869 10.6050 10.6059 11.4475 11.4613 11.5088 11.5088 k = 0.0444 0.0444-0.0000 ( 6361 PWs) bands (ev): -18.4026 -18.4026 -17.4712 -17.4707 -17.4706 -17.4702 -16.1450 -16.1446 -16.1272 -16.1270 -16.1010 -16.1002 -16.0505 -16.0494 -16.0461 -16.0460 -8.6055 -8.6055 -6.4258 -6.4242 -6.4235 -6.4221 -4.7686 -4.7675 -4.5573 -4.5572 -4.5319 -4.5310 -4.1004 -4.0999 -3.8347 -3.8345 -1.8297 -1.8234 -1.6944 -1.6863 -1.6326 -1.6290 -1.4313 -1.4245 -1.2123 -1.2121 -0.8139 -0.8108 -0.8011 -0.7991 -0.7814 -0.7810 -0.3286 -0.3248 0.0542 0.0560 0.0684 0.0701 0.5926 0.5954 0.9276 0.9291 1.4078 1.4214 1.4291 1.4366 1.4455 1.4518 7.1327 7.1327 9.4500 9.4507 9.4694 9.4708 10.5991 10.5998 11.4491 11.4618 11.5275 11.5277 k = 0.0333 0.0333-0.0000 ( 6369 PWs) bands (ev): -18.4064 -18.4064 -17.4714 -17.4711 -17.4709 -17.4706 -16.1447 -16.1444 -16.1199 -16.1196 -16.1004 -16.0999 -16.0501 -16.0492 -16.0456 -16.0456 -8.6166 -8.6166 -6.4265 -6.4253 -6.4251 -6.4241 -4.7733 -4.7724 -4.5516 -4.5514 -4.5357 -4.5351 -4.0989 -4.0985 -3.8326 -3.8324 -1.8195 -1.8143 -1.6816 -1.6748 -1.6433 -1.6402 -1.4472 -1.4413 -1.2121 -1.2120 -0.8155 -0.8131 -0.7975 -0.7958 -0.7778 -0.7778 -0.3265 -0.3237 0.0585 0.0601 0.0673 0.0684 0.5936 0.5957 0.9351 0.9362 1.4173 1.4300 1.4354 1.4434 1.4498 1.4546 7.1153 7.1153 9.4448 9.4455 9.4576 9.4584 10.5944 10.5949 11.4519 11.4629 11.5412 11.5419 k = 0.0222 0.0222-0.0000 ( 6349 PWs) bands (ev): -18.4090 -18.4090 -17.4716 -17.4713 -17.4711 -17.4708 -16.1445 -16.1444 -16.1145 -16.1144 -16.1000 -16.0996 -16.0498 -16.0491 -16.0452 -16.0452 -8.6245 -8.6245 -6.4270 -6.4262 -6.4262 -6.4255 -4.7765 -4.7760 -4.5481 -4.5478 -4.5377 -4.5375 -4.0977 -4.0974 -3.8311 -3.8309 -1.8108 -1.8070 -1.6706 -1.6658 -1.6516 -1.6494 -1.4595 -1.4551 -1.2119 -1.2118 -0.8179 -0.8164 -0.7939 -0.7925 -0.7751 -0.7749 -0.3249 -0.3230 0.0615 0.0628 0.0669 0.0674 0.5944 0.5959 0.9405 0.9412 1.4249 1.4346 1.4417 1.4484 1.4527 1.4557 7.1028 7.1028 9.4405 9.4412 9.4497 9.4500 10.5910 10.5913 11.4556 11.4640 11.5499 11.5515 k = 0.0111 0.0111-0.0000 ( 6345 PWs) bands (ev): -18.4107 -18.4107 -17.4716 -17.4715 -17.4711 -17.4710 -16.1444 -16.1443 -16.1113 -16.1112 -16.0997 -16.0995 -16.0495 -16.0492 -16.0451 -16.0451 -8.6292 -8.6292 -6.4273 -6.4269 -6.4267 -6.4264 -4.7784 -4.7782 -4.5468 -4.5465 -4.5382 -4.5381 -4.0970 -4.0968 -3.8301 -3.8301 -1.8046 -1.8026 -1.6626 -1.6606 -1.6567 -1.6560 -1.4670 -1.4646 -1.2118 -1.2117 -0.8194 -0.8187 -0.7915 -0.7907 -0.7731 -0.7730 -0.3238 -0.3228 0.0630 0.0638 0.0670 0.0672 0.5951 0.5958 0.9438 0.9442 1.4306 1.4357 1.4473 1.4515 1.4542 1.4551 7.0953 7.0953 9.4375 9.4379 9.4455 9.4456 10.5889 10.5891 11.4595 11.4641 11.5535 11.5562 k = 0.0000 0.0000 0.0000 ( 6329 PWs) bands (ev): -18.4112 -18.4112 -17.4716 -17.4716 -17.4711 -17.4711 -16.1444 -16.1444 -16.1101 -16.1101 -16.0996 -16.0996 -16.0493 -16.0493 -16.0450 -16.0450 -8.6308 -8.6308 -6.4273 -6.4273 -6.4268 -6.4268 -4.7790 -4.7790 -4.5464 -4.5464 -4.5381 -4.5381 -4.0967 -4.0967 -3.8298 -3.8298 -1.8017 -1.8017 -1.6593 -1.6593 -1.6583 -1.6583 -1.4688 -1.4688 -1.2117 -1.2117 -0.8198 -0.8198 -0.7904 -0.7904 -0.7724 -0.7724 -0.3231 -0.3231 0.0637 0.0637 0.0673 0.0673 0.5956 0.5956 0.9451 0.9451 1.4343 1.4343 1.4513 1.4513 1.4545 1.4545 7.0928 7.0928 9.4365 9.4365 9.4442 9.4442 10.5883 10.5883 11.4627 11.4627 11.5549 11.5550 k = 0.0000 0.0000 0.0000 ( 6329 PWs) bands (ev): -18.4112 -18.4112 -17.4716 -17.4716 -17.4711 -17.4711 -16.1444 -16.1444 -16.1101 -16.1101 -16.0996 -16.0996 -16.0493 -16.0493 -16.0450 -16.0450 -8.6308 -8.6308 -6.4273 -6.4273 -6.4268 -6.4268 -4.7790 -4.7790 -4.5464 -4.5464 -4.5381 -4.5381 -4.0967 -4.0967 -3.8298 -3.8298 -1.8017 -1.8017 -1.6593 -1.6593 -1.6583 -1.6583 -1.4688 -1.4688 -1.2117 -1.2117 -0.8198 -0.8198 -0.7904 -0.7904 -0.7724 -0.7724 -0.3231 -0.3231 0.0637 0.0637 0.0673 0.0673 0.5956 0.5956 0.9451 0.9451 1.4343 1.4343 1.4513 1.4513 1.4545 1.4545 7.0928 7.0928 9.4365 9.4365 9.4442 9.4442 10.5883 10.5883 11.4627 11.4627 11.5549 11.5550 k = 0.0000 0.0000 0.0156 ( 6349 PWs) bands (ev): -18.4107 -18.4107 -17.5074 -17.5070 -17.4355 -17.4350 -16.1476 -16.1470 -16.1083 -16.1078 -16.0996 -16.0994 -16.0505 -16.0482 -16.0461 -16.0439 -8.6294 -8.6293 -6.4948 -6.4943 -6.3604 -6.3598 -4.7797 -4.7797 -4.5507 -4.5424 -4.5411 -4.5327 -4.0977 -4.0973 -3.8308 -3.8306 -1.8011 -1.8010 -1.6629 -1.6618 -1.6547 -1.6539 -1.4687 -1.4681 -1.2109 -1.2109 -0.8201 -0.8195 -0.7953 -0.7862 -0.7777 -0.7678 -0.3245 -0.3242 0.0265 0.0303 0.1015 0.1048 0.5962 0.5966 0.9453 0.9458 1.4306 1.4352 1.4478 1.4483 1.4536 1.4588 7.0952 7.0952 9.3826 9.3902 9.4915 9.4993 10.5891 10.5893 11.4604 11.4610 11.5308 11.5394 k = 0.0000 0.0000 0.0312 ( 6361 PWs) bands (ev): -18.4092 -18.4092 -17.5429 -17.5424 -17.3990 -17.3985 -16.1553 -16.1544 -16.1035 -16.1029 -16.0996 -16.0993 -16.0517 -16.0473 -16.0472 -16.0429 -8.6250 -8.6250 -6.5627 -6.5622 -6.2941 -6.2936 -4.7820 -4.7820 -4.5540 -4.5456 -4.5346 -4.5263 -4.1003 -4.0996 -3.8336 -3.8332 -1.7993 -1.7992 -1.6657 -1.6645 -1.6492 -1.6485 -1.4676 -1.4665 -1.2087 -1.2086 -0.8206 -0.8193 -0.8010 -0.7837 -0.7827 -0.7640 -0.3284 -0.3278 -0.0101 -0.0060 0.1399 0.1430 0.5985 0.5994 0.9466 0.9475 1.4243 1.4337 1.4403 1.4432 1.4546 1.4611 7.1022 7.1022 9.3296 9.3371 9.5478 9.5556 10.5918 10.5922 11.4543 11.4557 11.5045 11.5124 k = 0.0000 0.0000 0.0467 ( 6349 PWs) bands (ev): -18.4067 -18.4067 -17.5779 -17.5775 -17.3623 -17.3617 -16.1656 -16.1645 -16.0994 -16.0990 -16.0978 -16.0972 -16.0529 -16.0486 -16.0462 -16.0419 -8.6178 -8.6177 -6.6310 -6.6305 -6.2286 -6.2280 -4.7857 -4.7857 -4.5561 -4.5477 -4.5271 -4.5188 -4.1044 -4.1034 -3.8383 -3.8376 -1.7963 -1.7962 -1.6676 -1.6663 -1.6426 -1.6421 -1.4656 -1.4641 -1.2049 -1.2048 -0.8212 -0.8193 -0.8072 -0.7904 -0.7798 -0.7609 -0.3347 -0.3337 -0.0460 -0.0416 0.1788 0.1817 0.6026 0.6039 0.9488 0.9502 1.4156 1.4298 1.4304 1.4372 1.4542 1.4617 7.1138 7.1138 9.2774 9.2847 9.6055 9.6133 10.5964 10.5969 11.4441 11.4470 11.4769 11.4834 k = 0.0000 0.0000 0.0623 ( 6349 PWs) bands (ev): -18.4033 -18.4033 -17.6125 -17.6121 -17.3253 -17.3247 -16.1776 -16.1764 -16.0992 -16.0986 -16.0920 -16.0914 -16.0542 -16.0499 -16.0453 -16.0411 -8.6077 -8.6076 -6.6996 -6.6991 -6.1639 -6.1633 -4.7909 -4.7909 -4.5571 -4.5487 -4.5185 -4.5103 -4.1101 -4.1088 -3.8447 -3.8438 -1.7923 -1.7921 -1.6687 -1.6673 -1.6351 -1.6347 -1.4628 -1.4608 -1.1997 -1.1996 -0.8219 -0.8193 -0.8142 -0.7979 -0.7777 -0.7585 -0.3433 -0.3420 -0.0812 -0.0765 0.2181 0.2208 0.6083 0.6101 0.9520 0.9539 1.4046 1.4186 1.4238 1.4297 1.4522 1.4604 7.1300 7.1301 9.2257 9.2328 9.6646 9.6724 10.6027 10.6034 11.4283 11.4350 11.4500 11.4526 k = 0.0000 0.0000 0.0779 ( 6345 PWs) bands (ev): -18.3988 -18.3988 -17.6467 -17.6463 -17.2881 -17.2875 -16.1911 -16.1898 -16.0990 -16.0982 -16.0865 -16.0859 -16.0554 -16.0512 -16.0445 -16.0402 -8.5947 -8.5947 -6.7684 -6.7679 -6.1000 -6.0995 -4.7976 -4.7976 -4.5570 -4.5486 -4.5088 -4.5007 -4.1173 -4.1156 -3.8528 -3.8517 -1.7872 -1.7870 -1.6691 -1.6676 -1.6265 -1.6262 -1.4593 -1.4568 -1.1930 -1.1929 -0.8228 -0.8218 -0.8194 -0.8060 -0.7761 -0.7568 -0.3540 -0.3524 -0.1156 -0.1105 0.2578 0.2603 0.6157 0.6179 0.9562 0.9585 1.3917 1.4050 1.4157 1.4206 1.4487 1.4573 7.1507 7.1508 9.1743 9.1811 9.7252 9.7330 10.6107 10.6116 11.4043 11.4203 11.4206 11.4272 k = 0.0000 0.0000 0.0935 ( 6353 PWs) bands (ev): -18.3934 -18.3934 -17.6804 -17.6800 -17.2508 -17.2502 -16.2059 -16.2046 -16.0986 -16.0977 -16.0813 -16.0809 -16.0568 -16.0526 -16.0437 -16.0395 -8.5789 -8.5789 -6.8373 -6.8368 -6.0372 -6.0367 -4.8059 -4.8058 -4.5558 -4.5474 -4.4982 -4.4901 -4.1259 -4.1238 -3.8626 -3.8613 -1.7811 -1.7809 -1.6689 -1.6673 -1.6168 -1.6167 -1.4550 -1.4520 -1.1850 -1.1849 -0.8301 -0.8238 -0.8195 -0.8146 -0.7752 -0.7558 -0.3667 -0.3647 -0.1493 -0.1438 0.2979 0.3002 0.6246 0.6272 0.9614 0.9641 1.3768 1.3898 1.4056 1.4098 1.4435 1.4525 7.1758 7.1759 9.1229 9.1294 9.7874 9.7950 10.6204 10.6215 11.3742 11.3877 11.4031 11.4071 k = 0.0000 0.0000 0.1090 ( 6353 PWs) bands (ev): -18.3870 -18.3870 -17.7135 -17.7131 -17.2133 -17.2127 -16.2219 -16.2206 -16.0982 -16.0971 -16.0767 -16.0762 -16.0581 -16.0540 -16.0430 -16.0388 -8.5604 -8.5603 -6.9062 -6.9057 -5.9755 -5.9750 -4.8156 -4.8155 -4.5535 -4.5452 -4.4865 -4.4786 -4.1358 -4.1334 -3.8739 -3.8724 -1.7742 -1.7740 -1.6682 -1.6665 -1.6062 -1.6061 -1.4501 -1.4467 -1.1759 -1.1757 -0.8389 -0.8267 -0.8221 -0.8197 -0.7749 -0.7554 -0.3811 -0.3787 -0.1821 -0.1763 0.3382 0.3404 0.6350 0.6381 0.9675 0.9706 1.3603 1.3728 1.3937 1.3973 1.4368 1.4460 7.2052 7.2053 9.0712 9.0774 9.8510 9.8584 10.6318 10.6331 11.3419 11.3544 11.3838 11.3866 k = 0.0000 0.0000 0.1246 ( 6365 PWs) bands (ev): -18.3796 -18.3796 -17.7461 -17.7458 -17.1757 -17.1751 -16.2392 -16.2379 -16.0977 -16.0964 -16.0724 -16.0720 -16.0594 -16.0555 -16.0423 -16.0382 -8.5391 -8.5390 -6.9750 -6.9745 -5.9149 -5.9144 -4.8268 -4.8267 -4.5502 -4.5419 -4.4739 -4.4660 -4.1469 -4.1443 -3.8868 -3.8851 -1.7665 -1.7664 -1.6670 -1.6652 -1.5948 -1.5945 -1.4447 -1.4408 -1.1656 -1.1654 -0.8483 -0.8353 -0.8244 -0.8199 -0.7751 -0.7556 -0.3970 -0.3942 -0.2141 -0.2079 0.3787 0.3808 0.6469 0.6503 0.9744 0.9780 1.3420 1.3544 1.3799 1.3831 1.4286 1.4380 7.2387 7.2388 9.0190 9.0249 9.9161 9.9233 10.6446 10.6461 11.3092 11.3211 11.3627 11.3649 k = 0.0000 0.0000 0.1402 ( 6373 PWs) bands (ev): -18.3713 -18.3712 -17.7782 -17.7778 -17.1381 -17.1375 -16.2577 -16.2564 -16.0971 -16.0957 -16.0688 -16.0682 -16.0606 -16.0570 -16.0417 -16.0377 -8.5151 -8.5150 -7.0435 -7.0431 -5.8556 -5.8550 -4.8396 -4.8395 -4.5458 -4.5375 -4.4602 -4.4525 -4.1592 -4.1563 -3.9010 -3.8991 -1.7583 -1.7582 -1.6654 -1.6636 -1.5824 -1.5819 -1.4388 -1.4345 -1.1543 -1.1540 -0.8581 -0.8457 -0.8254 -0.8200 -0.7759 -0.7563 -0.4140 -0.4108 -0.2452 -0.2386 0.4194 0.4214 0.6602 0.6640 0.9823 0.9863 1.3223 1.3344 1.3644 1.3672 1.4189 1.4285 7.2762 7.2763 8.9661 8.9716 9.9825 9.9894 10.6589 10.6606 11.2765 11.2882 11.3402 11.3420 k = 0.0000 0.0000 0.1558 ( 6345 PWs) bands (ev): -18.3620 -18.3619 -17.8096 -17.8093 -17.1005 -17.0998 -16.2774 -16.2761 -16.0964 -16.0949 -16.0661 -16.0648 -16.0612 -16.0585 -16.0412 -16.0373 -8.4884 -8.4883 -7.1119 -7.1114 -5.7975 -5.7970 -4.8538 -4.8537 -4.5403 -4.5321 -4.4457 -4.4380 -4.1725 -4.1692 -3.9166 -3.9144 -1.7496 -1.7495 -1.6635 -1.6617 -1.5691 -1.5684 -1.4325 -1.4279 -1.1422 -1.1419 -0.8684 -0.8566 -0.8261 -0.8200 -0.7771 -0.7576 -0.4319 -0.4282 -0.2754 -0.2684 0.4602 0.4621 0.6748 0.6790 0.9911 0.9954 1.3012 1.3131 1.3472 1.3497 1.4080 1.4177 7.3174 7.3176 8.9122 8.9174 10.0501 10.0566 10.6745 10.6765 11.2446 11.2560 11.3165 11.3179 k = 0.0000 0.0000 0.1714 ( 6353 PWs) bands (ev): -18.3517 -18.3516 -17.8405 -17.8402 -17.0629 -17.0622 -16.2984 -16.2970 -16.0957 -16.0940 -16.0655 -16.0617 -16.0601 -16.0599 -16.0408 -16.0369 -8.4592 -8.4590 -7.1798 -7.1794 -5.7408 -5.7403 -4.8696 -4.8695 -4.5338 -4.5257 -4.4302 -4.4227 -4.1867 -4.1832 -3.9334 -3.9310 -1.7406 -1.7405 -1.6615 -1.6596 -1.5551 -1.5542 -1.4261 -1.4210 -1.1295 -1.1291 -0.8789 -0.8680 -0.8268 -0.8199 -0.7789 -0.7594 -0.4502 -0.4461 -0.3047 -0.2972 0.5010 0.5028 0.6907 0.6953 1.0006 1.0053 1.2788 1.2905 1.3285 1.3308 1.3958 1.4056 7.3623 7.3625 8.8571 8.8619 10.1186 10.1248 10.6913 10.6935 11.2135 11.2248 11.2919 11.2930 k = 0.0000 0.0000 0.1869 ( 6361 PWs) bands (ev): -18.3404 -18.3403 -17.8707 -17.8704 -17.0254 -17.0247 -16.3204 -16.3191 -16.0949 -16.0931 -16.0664 -16.0617 -16.0589 -16.0576 -16.0404 -16.0366 -8.4274 -8.4273 -7.2473 -7.2469 -5.6855 -5.6851 -4.8870 -4.8869 -4.5263 -4.5183 -4.4138 -4.4065 -4.2018 -4.1979 -3.9513 -3.9486 -1.7314 -1.7314 -1.6593 -1.6574 -1.5405 -1.5393 -1.4196 -1.4142 -1.1164 -1.1158 -0.8897 -0.8797 -0.8273 -0.8197 -0.7810 -0.7616 -0.4687 -0.4640 -0.3330 -0.3251 0.5417 0.5435 0.7078 0.7128 1.0108 1.0158 1.2553 1.2668 1.3082 1.3104 1.3825 1.3924 7.4105 7.4108 8.8007 8.8051 10.1879 10.1937 10.7091 10.7116 11.1837 11.1949 11.2664 11.2672 k = 0.0000 0.0000 0.2025 ( 6357 PWs) bands (ev): -18.3283 -18.3281 -17.9003 -17.9000 -16.9880 -16.9873 -16.3437 -16.3424 -16.0941 -16.0921 -16.0678 -16.0632 -16.0564 -16.0551 -16.0401 -16.0364 -8.3932 -8.3930 -7.3142 -7.3138 -5.6317 -5.6313 -4.9059 -4.9058 -4.5178 -4.5099 -4.3967 -4.3895 -4.2174 -4.2133 -3.9701 -3.9673 -1.7223 -1.7222 -1.6572 -1.6552 -1.5253 -1.5239 -1.4131 -1.4074 -1.1030 -1.1023 -0.9007 -0.8915 -0.8275 -0.8193 -0.7834 -0.7643 -0.4867 -0.4816 -0.3603 -0.3520 0.5823 0.5840 0.7262 0.7314 1.0216 1.0269 1.2308 1.2421 1.2867 1.2887 1.3682 1.3782 7.4619 7.4622 8.7428 8.7469 10.2577 10.2630 10.7279 10.7306 11.1552 11.1663 11.2401 11.2407 k = 0.0000 0.0000 0.2181 ( 6341 PWs) bands (ev): -18.3151 -18.3150 -17.9292 -17.9289 -16.9508 -16.9501 -16.3680 -16.3668 -16.0931 -16.0910 -16.0692 -16.0648 -16.0541 -16.0528 -16.0399 -16.0363 -8.3565 -8.3564 -7.3804 -7.3800 -5.5795 -5.5791 -4.9263 -4.9262 -4.5084 -4.5005 -4.3787 -4.3717 -4.2337 -4.2293 -3.9899 -3.9868 -1.7133 -1.7131 -1.6551 -1.6531 -1.5098 -1.5081 -1.4069 -1.4009 -1.0897 -1.0889 -0.9116 -0.9035 -0.8276 -0.8186 -0.7862 -0.7672 -0.5040 -0.4983 -0.3865 -0.3778 0.6228 0.6244 0.7456 0.7512 1.0328 1.0383 1.2054 1.2165 1.2640 1.2660 1.3530 1.3630 7.5162 7.5166 8.6834 8.6871 10.3277 10.3324 10.7473 10.7504 11.1282 11.1391 11.2130 11.2134 k = 0.0000 0.0000 0.2337 ( 6341 PWs) bands (ev): -18.3011 -18.3009 -17.9574 -17.9571 -16.9138 -16.9130 -16.3935 -16.3923 -16.0921 -16.0899 -16.0707 -16.0664 -16.0521 -16.0507 -16.0398 -16.0363 -8.3176 -8.3174 -7.4459 -7.4455 -5.5288 -5.5284 -4.9484 -4.9483 -4.4980 -4.4903 -4.3600 -4.3531 -4.2504 -4.2457 -4.0104 -4.0071 -1.7046 -1.7042 -1.6533 -1.6513 -1.4942 -1.4922 -1.4011 -1.3949 -1.0767 -1.0757 -0.9225 -0.9153 -0.8274 -0.8177 -0.7892 -0.7705 -0.5201 -0.5137 -0.4116 -0.4026 0.6629 0.6646 0.7662 0.7720 1.0441 1.0497 1.1794 1.1902 1.2406 1.2427 1.3371 1.3471 7.5732 7.5737 8.6225 8.6259 10.3974 10.4015 10.7674 10.7708 11.1026 11.1133 11.1850 11.1852 k = 0.0000 0.0000 0.2492 ( 6324 PWs) bands (ev): -18.2861 -18.2859 -17.9849 -17.9846 -16.8771 -16.8763 -16.4200 -16.4188 -16.0911 -16.0887 -16.0721 -16.0681 -16.0503 -16.0487 -16.0398 -16.0364 -8.2764 -8.2762 -7.5106 -7.5102 -5.4798 -5.4794 -4.9720 -4.9720 -4.4868 -4.4791 -4.3405 -4.3339 -4.2674 -4.2625 -4.0316 -4.0280 -1.6962 -1.6958 -1.6517 -1.6497 -1.4787 -1.4763 -1.3959 -1.3895 -1.0642 -1.0629 -0.9331 -0.9269 -0.8269 -0.8165 -0.7923 -0.7740 -0.5343 -0.5274 -0.4355 -0.4261 0.7026 0.7043 0.7878 0.7939 1.0549 1.0603 1.1528 1.1633 1.2171 1.2193 1.3206 1.3306 7.6326 7.6331 8.5600 8.5631 10.4664 10.4699 10.7879 10.7916 11.0783 11.0889 11.1559 11.1559 k = 0.0000 0.0000 0.2648 ( 6336 PWs) bands (ev): -18.2701 -18.2700 -18.0117 -18.0114 -16.8407 -16.8399 -16.4476 -16.4464 -16.0900 -16.0874 -16.0736 -16.0697 -16.0486 -16.0470 -16.0398 -16.0365 -8.2330 -8.2328 -7.5743 -7.5740 -5.4324 -5.4320 -4.9973 -4.9972 -4.4747 -4.4672 -4.3204 -4.3140 -4.2846 -4.2795 -4.0534 -4.0496 -1.6883 -1.6878 -1.6505 -1.6486 -1.4636 -1.4607 -1.3916 -1.3851 -1.0523 -1.0509 -0.9434 -0.9383 -0.8261 -0.8151 -0.7956 -0.7776 -0.5464 -0.5388 -0.4581 -0.4483 0.7419 0.7437 0.8104 0.8166 1.0639 1.0685 1.1260 1.1359 1.1946 1.1974 1.3036 1.3135 7.6942 7.6948 8.4961 8.4989 10.5344 10.5371 10.8087 10.8127 11.0552 11.0656 11.1253 11.1253 k = 0.0000 0.0000 0.2804 ( 6344 PWs) bands (ev): -18.2533 -18.2532 -18.0377 -18.0374 -16.8047 -16.8038 -16.4761 -16.4750 -16.0888 -16.0861 -16.0751 -16.0713 -16.0472 -16.0454 -16.0400 -16.0368 -8.1876 -8.1874 -7.6370 -7.6367 -5.3867 -5.3864 -5.0242 -5.0242 -4.4618 -4.4544 -4.3025 -4.2997 -4.2966 -4.2930 -4.0756 -4.0715 -1.6811 -1.6804 -1.6498 -1.6479 -1.4491 -1.4458 -1.3883 -1.3818 -1.0412 -1.0397 -0.9532 -0.9492 -0.8251 -0.8133 -0.7990 -0.7814 -0.5558 -0.5476 -0.4791 -0.4691 0.7805 0.7825 0.8340 0.8403 1.0686 1.0711 1.0997 1.1082 1.1758 1.1798 1.2862 1.2961 7.7576 7.7583 8.4310 8.4334 10.6007 10.6027 10.8296 10.8340 11.0331 11.0433 11.0930 11.0930 k = 0.0000 0.0000 0.2960 ( 6332 PWs) bands (ev): -18.2356 -18.2354 -18.0629 -18.0627 -16.7691 -16.7682 -16.5056 -16.5045 -16.0876 -16.0848 -16.0766 -16.0729 -16.0459 -16.0439 -16.0402 -16.0372 -8.1401 -8.1399 -7.6986 -7.6983 -5.3427 -5.3424 -5.0527 -5.0527 -4.4481 -4.4409 -4.3196 -4.3138 -4.2784 -4.2723 -4.0981 -4.0938 -1.6745 -1.6736 -1.6496 -1.6478 -1.4355 -1.4318 -1.3864 -1.3799 -1.0310 -1.0294 -0.9626 -0.9596 -0.8236 -0.8112 -0.8024 -0.7852 -0.5621 -0.5533 -0.4984 -0.4882 0.8184 0.8207 0.8586 0.8648 1.0611 1.0646 1.0764 1.0804 1.1652 1.1709 1.2687 1.2785 7.8226 7.8234 8.3647 8.3669 10.6648 10.6661 10.8505 10.8553 11.0116 11.0218 11.0586 11.0588 k = 0.0000 0.0000 0.3115 ( 6324 PWs) bands (ev): -18.2170 -18.2168 -18.0874 -18.0872 -16.7339 -16.7330 -16.5360 -16.5348 -16.0864 -16.0834 -16.0781 -16.0744 -16.0448 -16.0426 -16.0406 -16.0376 -8.0907 -8.0905 -7.7590 -7.7587 -5.3004 -5.3001 -5.0830 -5.0829 -4.4338 -4.4267 -4.3368 -4.3308 -4.2567 -4.2508 -4.1208 -4.1163 -1.6686 -1.6676 -1.6501 -1.6484 -1.4231 -1.4190 -1.3860 -1.3796 -1.0215 -1.0200 -0.9714 -0.9694 -0.8219 -0.8088 -0.8057 -0.7890 -0.5652 -0.5559 -0.5159 -0.5055 0.8552 0.8582 0.8842 0.8900 1.0379 1.0493 1.0524 1.0552 1.1652 1.1725 1.2512 1.2608 7.8889 7.8898 8.2974 8.2994 10.7263 10.7269 10.8714 10.8765 10.9903 11.0008 11.0215 11.0224 k = 0.0000 0.0000 0.3271 ( 6332 PWs) bands (ev): -18.1975 -18.1973 -18.1111 -18.1109 -16.6993 -16.6983 -16.5672 -16.5661 -16.0851 -16.0820 -16.0796 -16.0760 -16.0438 -16.0415 -16.0410 -16.0382 -8.0395 -8.0393 -7.8180 -7.8177 -5.2598 -5.2596 -5.1149 -5.1148 -4.4188 -4.4119 -4.3539 -4.3477 -4.2346 -4.2289 -4.1437 -4.1390 -1.6635 -1.6624 -1.6512 -1.6496 -1.4123 -1.4076 -1.3873 -1.3812 -1.0127 -1.0114 -0.9798 -0.9787 -0.8198 -0.8089 -0.8061 -0.7928 -0.5649 -0.5551 -0.5312 -0.5207 0.8905 0.8947 0.9112 0.9159 1.0109 1.0245 1.0253 1.0298 1.1733 1.1815 1.2338 1.2433 7.9562 7.9573 8.2295 8.2313 10.7844 10.7846 10.8921 10.8976 10.9673 10.9802 10.9814 10.9852 k = 0.0000 0.0000 0.3427 ( 6344 PWs) bands (ev): -18.1772 -18.1770 -18.1340 -18.1337 -16.6653 -16.6643 -16.5991 -16.5981 -16.0838 -16.0810 -16.0806 -16.0776 -16.0429 -16.0415 -16.0405 -16.0388 -7.9866 -7.9863 -7.8757 -7.8754 -5.2210 -5.2208 -5.1486 -5.1485 -4.4033 -4.3965 -4.3707 -4.3644 -4.2122 -4.2067 -4.1666 -4.1616 -1.6592 -1.6580 -1.6531 -1.6516 -1.4031 -1.3980 -1.3906 -1.3848 -1.0042 -1.0033 -0.9878 -0.9875 -0.8175 -0.8120 -0.8031 -0.7964 -0.5611 -0.5510 -0.5440 -0.5336 0.9236 0.9301 0.9398 0.9424 0.9830 0.9962 0.9968 1.0008 1.1858 1.1945 1.2169 1.2262 8.0242 8.0254 8.1612 8.1627 10.8384 10.8394 10.9128 10.9184 10.9335 10.9378 10.9556 10.9596 k = 0.0000 0.0000 0.3583 ( 6348 PWs) bands (ev): -18.1560 -18.1560 -18.1558 -18.1558 -16.6319 -16.6319 -16.6308 -16.6308 -16.0824 -16.0824 -16.0791 -16.0791 -16.0421 -16.0421 -16.0396 -16.0396 -7.9319 -7.9319 -7.9317 -7.9317 -5.1839 -5.1839 -5.1838 -5.1838 -4.3872 -4.3872 -4.3807 -4.3807 -4.1895 -4.1895 -4.1843 -4.1843 -1.6558 -1.6558 -1.6544 -1.6544 -1.3959 -1.3959 -1.3904 -1.3904 -0.9959 -0.9959 -0.9955 -0.9955 -0.8148 -0.8148 -0.7999 -0.7999 -0.5541 -0.5541 -0.5438 -0.5438 0.9541 0.9541 0.9642 0.9642 0.9694 0.9694 0.9702 0.9702 1.2007 1.2007 1.2097 1.2097 8.0926 8.0926 8.0940 8.0940 10.8885 10.8885 10.8905 10.8905 10.9335 10.9335 10.9391 10.9391 k = 0.0000 0.0000 0.3583 ( 6348 PWs) bands (ev): -18.1560 -18.1560 -18.1558 -18.1558 -16.6319 -16.6319 -16.6308 -16.6308 -16.0824 -16.0824 -16.0791 -16.0791 -16.0421 -16.0421 -16.0396 -16.0396 -7.9319 -7.9319 -7.9317 -7.9317 -5.1839 -5.1839 -5.1838 -5.1838 -4.3872 -4.3872 -4.3807 -4.3807 -4.1895 -4.1895 -4.1843 -4.1843 -1.6558 -1.6558 -1.6544 -1.6544 -1.3959 -1.3959 -1.3904 -1.3904 -0.9959 -0.9959 -0.9955 -0.9955 -0.8148 -0.8148 -0.7999 -0.7999 -0.5541 -0.5541 -0.5438 -0.5438 0.9541 0.9541 0.9642 0.9642 0.9694 0.9694 0.9702 0.9702 1.2007 1.2007 1.2097 1.2097 8.0926 8.0926 8.0940 8.0940 10.8885 10.8885 10.8905 10.8905 10.9335 10.9335 10.9391 10.9391 k = 0.0000 0.0156 0.3583 ( 6342 PWs) bands (ev): -18.1556 -18.1556 -18.1554 -18.1554 -16.6323 -16.6323 -16.6313 -16.6313 -16.0825 -16.0825 -16.0792 -16.0792 -16.0423 -16.0423 -16.0397 -16.0397 -7.9309 -7.9309 -7.9306 -7.9306 -5.1839 -5.1839 -5.1836 -5.1836 -4.3872 -4.3872 -4.3806 -4.3806 -4.1896 -4.1896 -4.1844 -4.1844 -1.6557 -1.6557 -1.6542 -1.6542 -1.3971 -1.3971 -1.3916 -1.3916 -0.9962 -0.9962 -0.9957 -0.9957 -0.8152 -0.8152 -0.8003 -0.8003 -0.5524 -0.5524 -0.5420 -0.5420 0.9400 0.9400 0.9492 0.9492 0.9782 0.9782 0.9866 0.9867 1.2005 1.2005 1.2096 1.2096 8.0944 8.0944 8.0957 8.0957 10.8868 10.8868 10.8895 10.8895 10.9346 10.9346 10.9405 10.9405 k = 0.0000 0.0312 0.3583 ( 6338 PWs) bands (ev): -18.1543 -18.1543 -18.1541 -18.1541 -16.6338 -16.6338 -16.6327 -16.6327 -16.0828 -16.0828 -16.0794 -16.0794 -16.0427 -16.0427 -16.0401 -16.0401 -7.9279 -7.9279 -7.9276 -7.9276 -5.1836 -5.1836 -5.1832 -5.1832 -4.3870 -4.3870 -4.3805 -4.3805 -4.1899 -4.1899 -4.1847 -4.1847 -1.6554 -1.6554 -1.6539 -1.6539 -1.4008 -1.4008 -1.3952 -1.3952 -0.9971 -0.9971 -0.9963 -0.9963 -0.8161 -0.8161 -0.8013 -0.8013 -0.5474 -0.5474 -0.5370 -0.5370 0.9198 0.9198 0.9283 0.9283 0.9922 0.9922 1.0016 1.0016 1.2003 1.2003 1.2094 1.2094 8.0996 8.0996 8.1010 8.1010 10.8820 10.8820 10.8856 10.8856 10.9383 10.9383 10.9449 10.9449 k = 0.0000 0.0469 0.3583 ( 6338 PWs) bands (ev): -18.1523 -18.1523 -18.1521 -18.1521 -16.6361 -16.6361 -16.6351 -16.6351 -16.0832 -16.0832 -16.0798 -16.0798 -16.0434 -16.0434 -16.0408 -16.0408 -7.9228 -7.9228 -7.9225 -7.9225 -5.1831 -5.1831 -5.1826 -5.1826 -4.3868 -4.3868 -4.3802 -4.3802 -4.1904 -4.1904 -4.1852 -4.1852 -1.6549 -1.6549 -1.6533 -1.6533 -1.4068 -1.4068 -1.4012 -1.4012 -0.9985 -0.9985 -0.9974 -0.9974 -0.8175 -0.8175 -0.8028 -0.8028 -0.5393 -0.5393 -0.5290 -0.5290 0.8981 0.8981 0.9062 0.9062 1.0032 1.0032 1.0133 1.0133 1.2004 1.2004 1.2096 1.2096 8.1083 8.1083 8.1097 8.1097 10.8742 10.8742 10.8781 10.8781 10.9454 10.9454 10.9522 10.9522 k = 0.0000 0.0625 0.3583 ( 6342 PWs) bands (ev): -18.1495 -18.1495 -18.1493 -18.1493 -16.6394 -16.6394 -16.6384 -16.6384 -16.0838 -16.0838 -16.0804 -16.0804 -16.0443 -16.0443 -16.0416 -16.0416 -7.9159 -7.9159 -7.9155 -7.9155 -5.1825 -5.1825 -5.1818 -5.1818 -4.3864 -4.3864 -4.3799 -4.3799 -4.1911 -4.1911 -4.1859 -4.1859 -1.6544 -1.6544 -1.6526 -1.6526 -1.4148 -1.4148 -1.4091 -1.4091 -1.0004 -1.0004 -0.9991 -0.9991 -0.8189 -0.8189 -0.8044 -0.8044 -0.5287 -0.5287 -0.5183 -0.5183 0.8753 0.8753 0.8832 0.8832 1.0100 1.0100 1.0207 1.0207 1.2019 1.2019 1.2109 1.2109 8.1204 8.1204 8.1218 8.1218 10.8632 10.8632 10.8669 10.8669 10.9559 10.9559 10.9627 10.9627 k = 0.0000 0.0781 0.3583 ( 6338 PWs) bands (ev): -18.1458 -18.1458 -18.1456 -18.1456 -16.6437 -16.6437 -16.6426 -16.6426 -16.0847 -16.0847 -16.0812 -16.0812 -16.0454 -16.0454 -16.0427 -16.0427 -7.9070 -7.9070 -7.9066 -7.9066 -5.1816 -5.1816 -5.1807 -5.1807 -4.3859 -4.3859 -4.3794 -4.3794 -4.1921 -4.1921 -4.1869 -4.1869 -1.6540 -1.6540 -1.6520 -1.6520 -1.4246 -1.4246 -1.4188 -1.4188 -1.0029 -1.0029 -1.0014 -1.0014 -0.8201 -0.8201 -0.8058 -0.8058 -0.5159 -0.5159 -0.5056 -0.5056 0.8517 0.8517 0.8594 0.8594 1.0120 1.0120 1.0229 1.0229 1.2055 1.2055 1.2141 1.2141 8.1359 8.1359 8.1373 8.1373 10.8489 10.8490 10.8522 10.8522 10.9698 10.9698 10.9763 10.9763 k = 0.0000 0.0938 0.3583 ( 6350 PWs) bands (ev): -18.1414 -18.1414 -18.1412 -18.1412 -16.6488 -16.6488 -16.6478 -16.6478 -16.0857 -16.0857 -16.0822 -16.0822 -16.0467 -16.0467 -16.0438 -16.0438 -7.8963 -7.8963 -7.8959 -7.8959 -5.1804 -5.1804 -5.1794 -5.1794 -4.3854 -4.3854 -4.3789 -4.3789 -4.1932 -4.1932 -4.1881 -4.1881 -1.6538 -1.6538 -1.6516 -1.6516 -1.4356 -1.4356 -1.4298 -1.4298 -1.0060 -1.0060 -1.0044 -1.0044 -0.8208 -0.8208 -0.8067 -0.8067 -0.5015 -0.5015 -0.4912 -0.4912 0.8274 0.8274 0.8349 0.8349 1.0085 1.0085 1.0195 1.0195 1.2117 1.2117 1.2197 1.2197 8.1547 8.1547 8.1561 8.1561 10.8316 10.8316 10.8343 10.8343 10.9867 10.9867 10.9929 10.9929 k = 0.0000 0.1094 0.3583 ( 6346 PWs) bands (ev): -18.1363 -18.1363 -18.1361 -18.1361 -16.6549 -16.6549 -16.6538 -16.6538 -16.0870 -16.0870 -16.0834 -16.0834 -16.0480 -16.0480 -16.0451 -16.0451 -7.8839 -7.8839 -7.8835 -7.8835 -5.1791 -5.1791 -5.1779 -5.1779 -4.3847 -4.3847 -4.3783 -4.3783 -4.1945 -4.1945 -4.1894 -4.1894 -1.6543 -1.6543 -1.6518 -1.6518 -1.4474 -1.4474 -1.4415 -1.4415 -1.0096 -1.0096 -1.0080 -1.0080 -0.8208 -0.8208 -0.8070 -0.8070 -0.4860 -0.4860 -0.4757 -0.4757 0.8025 0.8025 0.8100 0.8100 0.9998 0.9998 1.0106 1.0106 1.2206 1.2206 1.2277 1.2277 8.1767 8.1767 8.1782 8.1782 10.8114 10.8114 10.8136 10.8136 11.0064 11.0064 11.0123 11.0124 k = 0.0000 0.1250 0.3583 ( 6340 PWs) bands (ev): -18.1304 -18.1304 -18.1302 -18.1302 -16.6618 -16.6618 -16.6608 -16.6608 -16.0884 -16.0884 -16.0849 -16.0849 -16.0494 -16.0494 -16.0464 -16.0464 -7.8699 -7.8699 -7.8694 -7.8694 -5.1775 -5.1775 -5.1762 -5.1762 -4.3840 -4.3840 -4.3776 -4.3776 -4.1961 -4.1961 -4.1910 -4.1910 -1.6557 -1.6557 -1.6530 -1.6530 -1.4593 -1.4593 -1.4534 -1.4534 -1.0138 -1.0138 -1.0121 -1.0121 -0.8200 -0.8200 -0.8064 -0.8064 -0.4697 -0.4697 -0.4594 -0.4594 0.7771 0.7771 0.7846 0.7847 0.9863 0.9863 0.9969 0.9969 1.2316 1.2316 1.2379 1.2379 8.2020 8.2020 8.2035 8.2035 10.7885 10.7886 10.7903 10.7904 11.0286 11.0286 11.0342 11.0342 k = 0.0000 0.1406 0.3583 ( 6334 PWs) bands (ev): -18.1239 -18.1239 -18.1237 -18.1237 -16.6696 -16.6696 -16.6686 -16.6686 -16.0901 -16.0901 -16.0866 -16.0866 -16.0507 -16.0507 -16.0478 -16.0478 -7.8544 -7.8544 -7.8539 -7.8539 -5.1757 -5.1757 -5.1743 -5.1743 -4.3832 -4.3832 -4.3768 -4.3768 -4.1978 -4.1978 -4.1928 -4.1928 -1.6585 -1.6585 -1.6555 -1.6555 -1.4705 -1.4705 -1.4646 -1.4646 -1.0184 -1.0184 -1.0168 -1.0168 -0.8183 -0.8183 -0.8050 -0.8050 -0.4530 -0.4530 -0.4429 -0.4429 0.7514 0.7514 0.7590 0.7590 0.9688 0.9688 0.9791 0.9791 1.2442 1.2442 1.2497 1.2497 8.2303 8.2303 8.2319 8.2319 10.7633 10.7633 10.7648 10.7648 11.0527 11.0527 11.0580 11.0580 k = 0.0000 0.1562 0.3583 ( 6334 PWs) bands (ev): -18.1167 -18.1167 -18.1165 -18.1165 -16.6782 -16.6782 -16.6772 -16.6772 -16.0920 -16.0920 -16.0885 -16.0885 -16.0520 -16.0520 -16.0491 -16.0491 -7.8375 -7.8375 -7.8370 -7.8370 -5.1737 -5.1737 -5.1721 -5.1721 -4.3824 -4.3824 -4.3760 -4.3760 -4.1997 -4.1997 -4.1948 -4.1948 -1.6633 -1.6633 -1.6601 -1.6601 -1.4803 -1.4803 -1.4745 -1.4745 -1.0235 -1.0235 -1.0220 -1.0220 -0.8158 -0.8158 -0.8028 -0.8028 -0.4364 -0.4364 -0.4263 -0.4263 0.7254 0.7254 0.7330 0.7330 0.9481 0.9481 0.9582 0.9582 1.2578 1.2578 1.2625 1.2625 8.2617 8.2617 8.2633 8.2633 10.7359 10.7359 10.7371 10.7371 11.0781 11.0781 11.0831 11.0831 k = 0.0000 0.1719 0.3583 ( 6336 PWs) bands (ev): -18.1090 -18.1090 -18.1087 -18.1087 -16.6876 -16.6876 -16.6865 -16.6865 -16.0941 -16.0941 -16.0907 -16.0907 -16.0532 -16.0532 -16.0503 -16.0503 -7.8194 -7.8194 -7.8189 -7.8189 -5.1714 -5.1714 -5.1698 -5.1698 -4.3814 -4.3814 -4.3751 -4.3751 -4.2019 -4.2019 -4.1969 -4.1969 -1.6704 -1.6704 -1.6671 -1.6671 -1.4880 -1.4880 -1.4824 -1.4824 -1.0289 -1.0289 -1.0275 -1.0275 -0.8124 -0.8124 -0.7997 -0.7997 -0.4203 -0.4203 -0.4102 -0.4102 0.6992 0.6992 0.7069 0.7069 0.9249 0.9249 0.9349 0.9349 1.2719 1.2719 1.2760 1.2760 8.2960 8.2960 8.2976 8.2976 10.7066 10.7066 10.7077 10.7077 11.1037 11.1037 11.1082 11.1082 k = 0.0000 0.1875 0.3583 ( 6344 PWs) bands (ev): -18.1006 -18.1006 -18.1004 -18.1004 -16.6977 -16.6977 -16.6966 -16.6966 -16.0963 -16.0963 -16.0931 -16.0931 -16.0543 -16.0543 -16.0515 -16.0515 -7.8004 -7.8004 -7.7998 -7.7998 -5.1690 -5.1690 -5.1672 -5.1672 -4.3805 -4.3805 -4.3742 -4.3742 -4.2042 -4.2042 -4.1993 -4.1993 -1.6802 -1.6802 -1.6769 -1.6769 -1.4930 -1.4930 -1.4877 -1.4877 -1.0345 -1.0345 -1.0333 -1.0333 -0.8083 -0.8083 -0.7958 -0.7958 -0.4048 -0.4048 -0.3948 -0.3948 0.6730 0.6730 0.6808 0.6808 0.8998 0.8998 0.9098 0.9098 1.2862 1.2862 1.2897 1.2897 8.3330 8.3330 8.3347 8.3347 10.6755 10.6755 10.6766 10.6766 11.1277 11.1277 11.1316 11.1316 k = 0.0000 0.2031 0.3583 ( 6336 PWs) bands (ev): -18.0918 -18.0918 -18.0916 -18.0916 -16.7084 -16.7084 -16.7074 -16.7074 -16.0986 -16.0986 -16.0956 -16.0956 -16.0552 -16.0552 -16.0526 -16.0526 -7.7804 -7.7804 -7.7798 -7.7798 -5.1663 -5.1663 -5.1644 -5.1644 -4.3795 -4.3795 -4.3733 -4.3733 -4.2066 -4.2066 -4.2018 -4.2018 -1.6927 -1.6927 -1.6894 -1.6894 -1.4952 -1.4952 -1.4902 -1.4902 -1.0403 -1.0403 -1.0393 -1.0393 -0.8034 -0.8034 -0.7911 -0.7911 -0.3903 -0.3903 -0.3804 -0.3804 0.6469 0.6469 0.6548 0.6548 0.8735 0.8735 0.8834 0.8834 1.3004 1.3004 1.3035 1.3035 8.3728 8.3728 8.3746 8.3746 10.6427 10.6427 10.6441 10.6441 11.1472 11.1472 11.1502 11.1502 k = 0.0000 0.2188 0.3583 ( 6344 PWs) bands (ev): -18.0826 -18.0826 -18.0824 -18.0824 -16.7197 -16.7197 -16.7187 -16.7187 -16.1011 -16.1011 -16.0982 -16.0982 -16.0561 -16.0561 -16.0536 -16.0536 -7.7598 -7.7598 -7.7592 -7.7592 -5.1634 -5.1634 -5.1615 -5.1615 -4.3785 -4.3785 -4.3724 -4.3724 -4.2093 -4.2093 -4.2045 -4.2045 -1.7075 -1.7075 -1.7044 -1.7044 -1.4947 -1.4947 -1.4901 -1.4901 -1.0463 -1.0463 -1.0454 -1.0454 -0.7979 -0.7979 -0.7857 -0.7857 -0.3772 -0.3772 -0.3674 -0.3674 0.6211 0.6211 0.6291 0.6291 0.8464 0.8464 0.8563 0.8563 1.3144 1.3144 1.3171 1.3171 8.4152 8.4152 8.4170 8.4170 10.6085 10.6085 10.6102 10.6102 11.1574 11.1574 11.1592 11.1592 k = 0.0000 0.2344 0.3583 ( 6342 PWs) bands (ev): -18.0730 -18.0730 -18.0728 -18.0728 -16.7315 -16.7315 -16.7306 -16.7306 -16.1036 -16.1036 -16.1008 -16.1008 -16.0568 -16.0568 -16.0545 -16.0545 -7.7387 -7.7387 -7.7381 -7.7381 -5.1603 -5.1603 -5.1583 -5.1583 -4.3775 -4.3775 -4.3715 -4.3715 -4.2120 -4.2120 -4.2074 -4.2074 -1.7242 -1.7242 -1.7212 -1.7212 -1.4918 -1.4918 -1.4876 -1.4875 -1.0523 -1.0523 -1.0516 -1.0516 -0.7917 -0.7917 -0.7797 -0.7797 -0.3658 -0.3658 -0.3560 -0.3560 0.5959 0.5959 0.6040 0.6040 0.8189 0.8189 0.8288 0.8288 1.3280 1.3280 1.3304 1.3304 8.4600 8.4600 8.4619 8.4619 10.5728 10.5728 10.5749 10.5749 11.1528 11.1528 11.1539 11.1539 k = 0.0000 0.2500 0.3583 ( 6342 PWs) bands (ev): -18.0631 -18.0631 -18.0629 -18.0629 -16.7438 -16.7438 -16.7428 -16.7428 -16.1061 -16.1061 -16.1035 -16.1035 -16.0575 -16.0574 -16.0553 -16.0553 -7.7173 -7.7173 -7.7167 -7.7167 -5.1571 -5.1571 -5.1551 -5.1550 -4.3765 -4.3765 -4.3706 -4.3706 -4.2149 -4.2149 -4.2104 -4.2104 -1.7422 -1.7422 -1.7395 -1.7395 -1.4870 -1.4870 -1.4831 -1.4831 -1.0582 -1.0582 -1.0577 -1.0577 -0.7849 -0.7849 -0.7730 -0.7730 -0.3562 -0.3562 -0.3465 -0.3465 0.5714 0.5714 0.5796 0.5796 0.7914 0.7914 0.8014 0.8014 1.3411 1.3411 1.3433 1.3433 8.5072 8.5072 8.5091 8.5091 10.5357 10.5357 10.5381 10.5381 11.1308 11.1308 11.1329 11.1329 k = 0.0000 0.2656 0.3583 ( 6346 PWs) bands (ev): -18.0530 -18.0530 -18.0528 -18.0528 -16.7563 -16.7563 -16.7553 -16.7553 -16.1086 -16.1086 -16.1062 -16.1062 -16.0580 -16.0580 -16.0560 -16.0560 -7.6958 -7.6958 -7.6952 -7.6952 -5.1537 -5.1537 -5.1516 -5.1516 -4.3756 -4.3756 -4.3697 -4.3697 -4.2179 -4.2179 -4.2135 -4.2135 -1.7611 -1.7611 -1.7586 -1.7585 -1.4806 -1.4806 -1.4770 -1.4770 -1.0642 -1.0642 -1.0638 -1.0638 -0.7776 -0.7776 -0.7658 -0.7658 -0.3488 -0.3488 -0.3391 -0.3391 0.5481 0.5481 0.5563 0.5563 0.7643 0.7643 0.7742 0.7742 1.3537 1.3537 1.3556 1.3556 8.5566 8.5566 8.5586 8.5586 10.4970 10.4970 10.4997 10.4997 11.0953 11.0953 11.0981 11.0981 k = 0.0000 0.2812 0.3583 ( 6330 PWs) bands (ev): -18.0428 -18.0428 -18.0426 -18.0426 -16.7689 -16.7689 -16.7680 -16.7680 -16.1110 -16.1110 -16.1088 -16.1088 -16.0585 -16.0585 -16.0566 -16.0566 -7.6745 -7.6745 -7.6739 -7.6739 -5.1501 -5.1501 -5.1481 -5.1481 -4.3746 -4.3746 -4.3689 -4.3689 -4.2209 -4.2209 -4.2166 -4.2166 -1.7803 -1.7803 -1.7780 -1.7780 -1.4730 -1.4730 -1.4697 -1.4696 -1.0700 -1.0700 -1.0699 -1.0699 -0.7696 -0.7696 -0.7579 -0.7579 -0.3439 -0.3439 -0.3342 -0.3342 0.5262 0.5262 0.5344 0.5344 0.7377 0.7377 0.7476 0.7476 1.3656 1.3656 1.3673 1.3673 8.6081 8.6081 8.6101 8.6101 10.4566 10.4566 10.4596 10.4596 11.0513 11.0513 11.0547 11.0547 k = 0.0000 0.2969 0.3583 ( 6334 PWs) bands (ev): -18.0326 -18.0326 -18.0324 -18.0324 -16.7816 -16.7816 -16.7808 -16.7808 -16.1134 -16.1134 -16.1114 -16.1114 -16.0589 -16.0589 -16.0572 -16.0571 -7.6535 -7.6535 -7.6529 -7.6529 -5.1465 -5.1465 -5.1445 -5.1445 -4.3737 -4.3737 -4.3682 -4.3682 -4.2240 -4.2240 -4.2198 -4.2198 -1.7996 -1.7996 -1.7974 -1.7974 -1.4644 -1.4644 -1.4614 -1.4614 -1.0759 -1.0759 -1.0757 -1.0757 -0.7611 -0.7611 -0.7495 -0.7495 -0.3415 -0.3415 -0.3319 -0.3319 0.5060 0.5060 0.5144 0.5144 0.7117 0.7118 0.7217 0.7217 1.3769 1.3769 1.3784 1.3784 8.6615 8.6615 8.6636 8.6636 10.4142 10.4142 10.4176 10.4176 11.0033 11.0033 11.0069 11.0069 k = 0.0000 0.3125 0.3583 ( 6344 PWs) bands (ev): -18.0224 -18.0224 -18.0222 -18.0222 -16.7943 -16.7943 -16.7935 -16.7935 -16.1156 -16.1156 -16.1138 -16.1138 -16.0592 -16.0592 -16.0576 -16.0576 -7.6330 -7.6330 -7.6324 -7.6324 -5.1428 -5.1428 -5.1408 -5.1408 -4.3729 -4.3729 -4.3676 -4.3676 -4.2271 -4.2271 -4.2230 -4.2230 -1.8185 -1.8185 -1.8165 -1.8165 -1.4552 -1.4552 -1.4524 -1.4524 -1.0816 -1.0816 -1.0813 -1.0813 -0.7520 -0.7520 -0.7405 -0.7405 -0.3419 -0.3419 -0.3324 -0.3324 0.4880 0.4880 0.4964 0.4964 0.6867 0.6867 0.6965 0.6965 1.3875 1.3875 1.3888 1.3888 8.7166 8.7167 8.7188 8.7188 10.3696 10.3696 10.3732 10.3732 10.9541 10.9542 10.9579 10.9579 k = 0.0000 0.3281 0.3583 ( 6340 PWs) bands (ev): -18.0125 -18.0125 -18.0123 -18.0123 -16.8067 -16.8067 -16.8059 -16.8059 -16.1177 -16.1177 -16.1161 -16.1161 -16.0595 -16.0595 -16.0581 -16.0581 -7.6133 -7.6133 -7.6127 -7.6127 -5.1391 -5.1391 -5.1372 -5.1372 -4.3721 -4.3721 -4.3670 -4.3670 -4.2301 -4.2301 -4.2262 -4.2262 -1.8368 -1.8368 -1.8350 -1.8350 -1.4456 -1.4456 -1.4430 -1.4430 -1.0871 -1.0871 -1.0867 -1.0867 -0.7423 -0.7423 -0.7309 -0.7309 -0.3451 -0.3451 -0.3356 -0.3356 0.4724 0.4724 0.4807 0.4807 0.6626 0.6626 0.6724 0.6724 1.3973 1.3973 1.3985 1.3985 8.7734 8.7734 8.7755 8.7755 10.3227 10.3227 10.3265 10.3265 10.9061 10.9061 10.9098 10.9098 k = 0.0000 0.3438 0.3583 ( 6340 PWs) bands (ev): -18.0028 -18.0028 -18.0026 -18.0026 -16.8187 -16.8187 -16.8180 -16.8180 -16.1197 -16.1197 -16.1182 -16.1182 -16.0597 -16.0597 -16.0585 -16.0585 -7.5945 -7.5945 -7.5940 -7.5940 -5.1355 -5.1355 -5.1336 -5.1336 -4.3714 -4.3714 -4.3665 -4.3665 -4.2330 -4.2330 -4.2294 -4.2294 -1.8542 -1.8542 -1.8526 -1.8526 -1.4358 -1.4358 -1.4334 -1.4334 -1.0924 -1.0924 -1.0919 -1.0919 -0.7320 -0.7320 -0.7208 -0.7208 -0.3510 -0.3510 -0.3416 -0.3416 0.4594 0.4594 0.4677 0.4677 0.6395 0.6395 0.6492 0.6492 1.4063 1.4063 1.4074 1.4074 8.8314 8.8314 8.8336 8.8336 10.2733 10.2733 10.2772 10.2772 10.8605 10.8605 10.8641 10.8641 k = 0.0000 0.3594 0.3583 ( 6332 PWs) bands (ev): -17.9936 -17.9936 -17.9934 -17.9934 -16.8302 -16.8302 -16.8296 -16.8296 -16.1215 -16.1215 -16.1201 -16.1201 -16.0599 -16.0599 -16.0588 -16.0588 -7.5768 -7.5768 -7.5764 -7.5764 -5.1319 -5.1319 -5.1301 -5.1301 -4.3708 -4.3708 -4.3662 -4.3662 -4.2358 -4.2358 -4.2324 -4.2324 -1.8705 -1.8705 -1.8691 -1.8691 -1.4260 -1.4260 -1.4238 -1.4238 -1.0975 -1.0975 -1.0968 -1.0968 -0.7212 -0.7212 -0.7101 -0.7101 -0.3594 -0.3594 -0.3502 -0.3502 0.4491 0.4491 0.4575 0.4575 0.6174 0.6174 0.6271 0.6271 1.4146 1.4146 1.4155 1.4155 8.8905 8.8905 8.8928 8.8928 10.2214 10.2214 10.2254 10.2254 10.8185 10.8185 10.8219 10.8219 k = 0.0000 0.3750 0.3583 ( 6336 PWs) bands (ev): -17.9849 -17.9849 -17.9848 -17.9848 -16.8411 -16.8411 -16.8405 -16.8405 -16.1231 -16.1231 -16.1219 -16.1219 -16.0601 -16.0601 -16.0591 -16.0591 -7.5605 -7.5605 -7.5601 -7.5601 -5.1284 -5.1284 -5.1268 -5.1268 -4.3702 -4.3702 -4.3660 -4.3660 -4.2385 -4.2384 -4.2353 -4.2353 -1.8856 -1.8856 -1.8843 -1.8843 -1.4164 -1.4164 -1.4144 -1.4144 -1.1022 -1.1022 -1.1015 -1.1015 -0.7098 -0.7098 -0.6990 -0.6990 -0.3701 -0.3701 -0.3610 -0.3610 0.4416 0.4416 0.4500 0.4500 0.5964 0.5964 0.6060 0.6060 1.4220 1.4220 1.4228 1.4228 8.9503 8.9503 8.9526 8.9526 10.1673 10.1673 10.1713 10.1713 10.7806 10.7807 10.7838 10.7838 k = 0.0000 0.3906 0.3583 ( 6340 PWs) bands (ev): -17.9769 -17.9769 -17.9767 -17.9767 -16.8510 -16.8510 -16.8505 -16.8505 -16.1245 -16.1245 -16.1235 -16.1235 -16.0602 -16.0602 -16.0593 -16.0593 -7.5457 -7.5457 -7.5453 -7.5453 -5.1252 -5.1252 -5.1237 -5.1237 -4.3697 -4.3697 -4.3658 -4.3658 -4.2408 -4.2408 -4.2380 -4.2379 -1.8992 -1.8992 -1.8981 -1.8981 -1.4072 -1.4072 -1.4055 -1.4055 -1.1066 -1.1066 -1.1059 -1.1059 -0.6979 -0.6979 -0.6875 -0.6875 -0.3826 -0.3826 -0.3738 -0.3738 0.4369 0.4369 0.4453 0.4453 0.5765 0.5765 0.5860 0.5860 1.4286 1.4286 1.4293 1.4293 9.0103 9.0104 9.0126 9.0126 10.1115 10.1115 10.1154 10.1154 10.7474 10.7474 10.7502 10.7502 k = 0.0000 0.4062 0.3583 ( 6352 PWs) bands (ev): -17.9697 -17.9696 -17.9695 -17.9695 -16.8601 -16.8601 -16.8596 -16.8596 -16.1257 -16.1257 -16.1249 -16.1249 -16.0603 -16.0603 -16.0596 -16.0596 -7.5325 -7.5325 -7.5321 -7.5321 -5.1222 -5.1222 -5.1209 -5.1209 -4.3692 -4.3692 -4.3658 -4.3658 -4.2430 -4.2430 -4.2404 -4.2404 -1.9113 -1.9113 -1.9104 -1.9104 -1.3987 -1.3987 -1.3971 -1.3971 -1.1106 -1.1106 -1.1099 -1.1099 -0.6857 -0.6857 -0.6758 -0.6758 -0.3963 -0.3963 -0.3879 -0.3879 0.4347 0.4347 0.4432 0.4432 0.5578 0.5578 0.5671 0.5671 1.4343 1.4343 1.4349 1.4349 9.0700 9.0700 9.0723 9.0723 10.0549 10.0549 10.0586 10.0586 10.7188 10.7188 10.7213 10.7213 k = 0.0000 0.4219 0.3583 ( 6348 PWs) bands (ev): -17.9633 -17.9633 -17.9632 -17.9632 -16.8679 -16.8679 -16.8676 -16.8676 -16.1268 -16.1268 -16.1261 -16.1261 -16.0604 -16.0604 -16.0598 -16.0598 -7.5210 -7.5210 -7.5207 -7.5207 -5.1195 -5.1195 -5.1184 -5.1184 -4.3688 -4.3688 -4.3659 -4.3659 -4.2448 -4.2448 -4.2426 -4.2426 -1.9218 -1.9218 -1.9210 -1.9210 -1.3909 -1.3909 -1.3897 -1.3897 -1.1141 -1.1141 -1.1134 -1.1134 -0.6734 -0.6734 -0.6641 -0.6641 -0.4107 -0.4107 -0.4027 -0.4027 0.4351 0.4351 0.4436 0.4436 0.5401 0.5401 0.5494 0.5494 1.4392 1.4392 1.4397 1.4397 9.1283 9.1283 9.1305 9.1305 9.9985 9.9985 10.0020 10.0020 10.6950 10.6950 10.6971 10.6971 k = 0.0000 0.4375 0.3583 ( 6348 PWs) bands (ev): -17.9579 -17.9579 -17.9578 -17.9578 -16.8746 -16.8746 -16.8743 -16.8743 -16.1276 -16.1276 -16.1271 -16.1271 -16.0604 -16.0604 -16.0599 -16.0599 -7.5115 -7.5115 -7.5112 -7.5112 -5.1173 -5.1172 -5.1163 -5.1163 -4.3684 -4.3684 -4.3661 -4.3661 -4.2463 -4.2463 -4.2445 -4.2445 -1.9304 -1.9304 -1.9298 -1.9298 -1.3843 -1.3843 -1.3832 -1.3832 -1.1171 -1.1171 -1.1165 -1.1165 -0.6613 -0.6613 -0.6530 -0.6530 -0.4247 -0.4247 -0.4174 -0.4174 0.4377 0.4377 0.4462 0.4462 0.5237 0.5237 0.5328 0.5328 1.4432 1.4432 1.4436 1.4436 9.1838 9.1838 9.1859 9.1859 9.9442 9.9442 9.9473 9.9473 10.6758 10.6758 10.6775 10.6775 k = 0.0000 0.4531 0.3583 ( 6348 PWs) bands (ev): -17.9537 -17.9537 -17.9536 -17.9536 -16.8799 -16.8799 -16.8796 -16.8796 -16.1283 -16.1283 -16.1278 -16.1278 -16.0604 -16.0604 -16.0601 -16.0601 -7.5040 -7.5040 -7.5038 -7.5038 -5.1154 -5.1154 -5.1147 -5.1147 -4.3681 -4.3681 -4.3663 -4.3663 -4.2474 -4.2474 -4.2460 -4.2460 -1.9372 -1.9372 -1.9368 -1.9368 -1.3788 -1.3788 -1.3780 -1.3780 -1.1195 -1.1195 -1.1190 -1.1190 -0.6500 -0.6500 -0.6430 -0.6430 -0.4374 -0.4374 -0.4312 -0.4312 0.4424 0.4424 0.4508 0.4508 0.5086 0.5086 0.5175 0.5175 1.4464 1.4464 1.4466 1.4466 9.2343 9.2343 9.2362 9.2362 9.8945 9.8945 9.8971 9.8971 10.6611 10.6611 10.6624 10.6624 k = 0.0000 0.4688 0.3583 ( 6342 PWs) bands (ev): -17.9505 -17.9505 -17.9505 -17.9505 -16.8837 -16.8837 -16.8835 -16.8835 -16.1287 -16.1287 -16.1284 -16.1284 -16.0604 -16.0604 -16.0602 -16.0602 -7.4985 -7.4985 -7.4984 -7.4984 -5.1140 -5.1140 -5.1135 -5.1135 -4.3678 -4.3678 -4.3665 -4.3665 -4.2482 -4.2481 -4.2472 -4.2472 -1.9421 -1.9421 -1.9418 -1.9418 -1.3748 -1.3748 -1.3742 -1.3742 -1.1212 -1.1212 -1.1209 -1.1209 -0.6403 -0.6403 -0.6350 -0.6350 -0.4475 -0.4475 -0.4429 -0.4429 0.4489 0.4489 0.4571 0.4571 0.4950 0.4950 0.5035 0.5035 1.4486 1.4486 1.4488 1.4488 9.2765 9.2765 9.2780 9.2780 9.8530 9.8530 9.8550 9.8550 10.6507 10.6508 10.6516 10.6516 k = 0.0000 0.4844 0.3583 ( 6346 PWs) bands (ev): -17.9486 -17.9486 -17.9486 -17.9486 -16.8860 -16.8860 -16.8859 -16.8859 -16.1289 -16.1289 -16.1288 -16.1288 -16.0604 -16.0604 -16.0603 -16.0603 -7.4952 -7.4952 -7.4952 -7.4952 -5.1131 -5.1131 -5.1128 -5.1128 -4.3674 -4.3674 -4.3668 -4.3668 -4.2485 -4.2485 -4.2480 -4.2480 -1.9450 -1.9450 -1.9449 -1.9449 -1.3722 -1.3722 -1.3719 -1.3719 -1.1222 -1.1222 -1.1221 -1.1221 -0.6331 -0.6331 -0.6303 -0.6303 -0.4538 -0.4538 -0.4513 -0.4513 0.4566 0.4566 0.4636 0.4636 0.4841 0.4841 0.4912 0.4913 1.4500 1.4500 1.4501 1.4501 9.3056 9.3056 9.3064 9.3064 9.8247 9.8247 9.8258 9.8258 10.6447 10.6447 10.6451 10.6451 k = 0.0000 0.5000 0.3583 ( 6352 PWs) bands (ev): -17.9480 -17.9480 -17.9480 -17.9480 -16.8867 -16.8867 -16.8867 -16.8867 -16.1290 -16.1290 -16.1290 -16.1290 -16.0604 -16.0604 -16.0604 -16.0604 -7.4941 -7.4941 -7.4941 -7.4941 -5.1127 -5.1127 -5.1127 -5.1127 -4.3671 -4.3671 -4.3671 -4.3671 -4.2485 -4.2485 -4.2485 -4.2485 -1.9460 -1.9460 -1.9460 -1.9460 -1.3713 -1.3713 -1.3713 -1.3713 -1.1225 -1.1225 -1.1225 -1.1225 -0.6296 -0.6296 -0.6296 -0.6296 -0.4552 -0.4552 -0.4551 -0.4551 0.4640 0.4640 0.4640 0.4640 0.4823 0.4823 0.4823 0.4823 1.4505 1.4505 1.4505 1.4505 9.3163 9.3163 9.3163 9.3163 9.8149 9.8149 9.8149 9.8149 10.6428 10.6428 10.6428 10.6428 k = 0.0000 0.5000 0.3583 ( 6352 PWs) bands (ev): -17.9480 -17.9480 -17.9480 -17.9480 -16.8867 -16.8867 -16.8867 -16.8867 -16.1290 -16.1290 -16.1290 -16.1290 -16.0604 -16.0604 -16.0604 -16.0604 -7.4941 -7.4941 -7.4941 -7.4941 -5.1127 -5.1127 -5.1127 -5.1127 -4.3671 -4.3671 -4.3671 -4.3671 -4.2485 -4.2485 -4.2485 -4.2485 -1.9460 -1.9460 -1.9460 -1.9460 -1.3713 -1.3713 -1.3713 -1.3713 -1.1225 -1.1225 -1.1225 -1.1225 -0.6296 -0.6296 -0.6296 -0.6296 -0.4552 -0.4552 -0.4551 -0.4551 0.4640 0.4640 0.4640 0.4640 0.4823 0.4823 0.4823 0.4823 1.4505 1.4505 1.4505 1.4505 9.3163 9.3163 9.3163 9.3163 9.8149 9.8149 9.8149 9.8149 10.6428 10.6428 10.6428 10.6428 k = 0.0156 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.9474 -17.9474 -17.9474 -17.9474 -16.8874 -16.8874 -16.8873 -16.8873 -16.1290 -16.1290 -16.1290 -16.1290 -16.0606 -16.0606 -16.0606 -16.0606 -7.4926 -7.4926 -7.4925 -7.4925 -5.1147 -5.1147 -5.1147 -5.1147 -4.3666 -4.3666 -4.3665 -4.3665 -4.2475 -4.2475 -4.2474 -4.2474 -1.9461 -1.9461 -1.9460 -1.9460 -1.3713 -1.3713 -1.3712 -1.3712 -1.1240 -1.1240 -1.1240 -1.1240 -0.6289 -0.6289 -0.6288 -0.6288 -0.4541 -0.4541 -0.4540 -0.4540 0.4625 0.4625 0.4626 0.4626 0.4822 0.4822 0.4823 0.4823 1.4493 1.4493 1.4494 1.4494 9.3180 9.3180 9.3181 9.3181 9.8157 9.8157 9.8157 9.8157 10.6444 10.6445 10.6446 10.6447 k = 0.0312 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.9457 -17.9457 -17.9457 -17.9457 -16.8892 -16.8892 -16.8892 -16.8892 -16.1291 -16.1291 -16.1291 -16.1291 -16.0613 -16.0613 -16.0613 -16.0613 -7.4879 -7.4879 -7.4879 -7.4879 -5.1206 -5.1206 -5.1205 -5.1205 -4.3648 -4.3648 -4.3648 -4.3648 -4.2445 -4.2445 -4.2444 -4.2444 -1.9465 -1.9465 -1.9462 -1.9462 -1.3714 -1.3714 -1.3710 -1.3710 -1.1284 -1.1284 -1.1283 -1.1283 -0.6268 -0.6268 -0.6267 -0.6267 -0.4508 -0.4508 -0.4507 -0.4507 0.4582 0.4582 0.4584 0.4584 0.4821 0.4821 0.4821 0.4821 1.4458 1.4458 1.4460 1.4460 9.3232 9.3232 9.3234 9.3235 9.8179 9.8179 9.8181 9.8181 10.6496 10.6496 10.6500 10.6500 k = 0.0469 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.9428 -17.9428 -17.9427 -17.9427 -16.8923 -16.8923 -16.8923 -16.8923 -16.1292 -16.1292 -16.1292 -16.1292 -16.0624 -16.0624 -16.0624 -16.0624 -7.4803 -7.4802 -7.4802 -7.4802 -5.1303 -5.1303 -5.1302 -5.1302 -4.3620 -4.3620 -4.3620 -4.3620 -4.2396 -4.2396 -4.2395 -4.2395 -1.9471 -1.9471 -1.9466 -1.9466 -1.3714 -1.3714 -1.3709 -1.3709 -1.1355 -1.1355 -1.1354 -1.1354 -0.6235 -0.6235 -0.6234 -0.6234 -0.4454 -0.4454 -0.4453 -0.4453 0.4509 0.4509 0.4512 0.4512 0.4820 0.4820 0.4820 0.4820 1.4401 1.4401 1.4403 1.4403 9.3319 9.3319 9.3322 9.3322 9.8217 9.8218 9.8219 9.8219 10.6582 10.6582 10.6587 10.6588 k = 0.0625 0.5000 0.3583 ( 6348 PWs) bands (ev): -17.9387 -17.9387 -17.9387 -17.9387 -16.8967 -16.8967 -16.8966 -16.8966 -16.1293 -16.1293 -16.1293 -16.1293 -16.0639 -16.0639 -16.0639 -16.0639 -7.4695 -7.4695 -7.4695 -7.4695 -5.1437 -5.1437 -5.1436 -5.1436 -4.3580 -4.3580 -4.3580 -4.3580 -4.2329 -4.2329 -4.2328 -4.2328 -1.9478 -1.9478 -1.9472 -1.9472 -1.3712 -1.3712 -1.3706 -1.3706 -1.1453 -1.1453 -1.1451 -1.1451 -0.6191 -0.6191 -0.6190 -0.6190 -0.4379 -0.4379 -0.4378 -0.4378 0.4407 0.4407 0.4410 0.4410 0.4821 0.4821 0.4821 0.4821 1.4322 1.4322 1.4324 1.4324 9.3439 9.3439 9.3444 9.3444 9.8270 9.8270 9.8273 9.8273 10.6701 10.6701 10.6709 10.6709 k = 0.0781 0.5000 0.3583 ( 6344 PWs) bands (ev): -17.9335 -17.9335 -17.9334 -17.9334 -16.9022 -16.9022 -16.9022 -16.9022 -16.1295 -16.1295 -16.1295 -16.1295 -16.0659 -16.0659 -16.0658 -16.0658 -7.4558 -7.4558 -7.4557 -7.4557 -5.1605 -5.1605 -5.1605 -5.1605 -4.3530 -4.3530 -4.3529 -4.3529 -4.2247 -4.2247 -4.2245 -4.2245 -1.9487 -1.9487 -1.9480 -1.9480 -1.3709 -1.3709 -1.3701 -1.3701 -1.1574 -1.1574 -1.1572 -1.1572 -0.6139 -0.6139 -0.6138 -0.6137 -0.4284 -0.4284 -0.4283 -0.4283 0.4276 0.4276 0.4279 0.4279 0.4823 0.4824 0.4824 0.4824 1.4221 1.4221 1.4225 1.4225 9.3593 9.3593 9.3598 9.3598 9.8338 9.8338 9.8341 9.8341 10.6854 10.6854 10.6864 10.6864 k = 0.0938 0.5000 0.3583 ( 6352 PWs) bands (ev): -17.9271 -17.9271 -17.9271 -17.9271 -16.9091 -16.9091 -16.9090 -16.9090 -16.1298 -16.1298 -16.1298 -16.1298 -16.0682 -16.0682 -16.0681 -16.0681 -7.4392 -7.4392 -7.4391 -7.4391 -5.1806 -5.1806 -5.1806 -5.1806 -4.3469 -4.3469 -4.3468 -4.3468 -4.2151 -4.2151 -4.2149 -4.2149 -1.9497 -1.9497 -1.9489 -1.9489 -1.3702 -1.3702 -1.3693 -1.3693 -1.1718 -1.1718 -1.1715 -1.1715 -0.6082 -0.6081 -0.6080 -0.6080 -0.4171 -0.4171 -0.4170 -0.4170 0.4117 0.4117 0.4122 0.4122 0.4828 0.4828 0.4829 0.4829 1.4100 1.4100 1.4104 1.4104 9.3778 9.3778 9.3785 9.3785 9.8420 9.8420 9.8423 9.8424 10.7039 10.7039 10.7051 10.7051 k = 0.1094 0.5000 0.3583 ( 6348 PWs) bands (ev): -17.9196 -17.9196 -17.9196 -17.9195 -16.9171 -16.9171 -16.9171 -16.9171 -16.1301 -16.1300 -16.1300 -16.1300 -16.0708 -16.0708 -16.0707 -16.0707 -7.4196 -7.4196 -7.4195 -7.4195 -5.2038 -5.2038 -5.2037 -5.2037 -4.3397 -4.3397 -4.3396 -4.3396 -4.2044 -4.2044 -4.2042 -4.2042 -1.9509 -1.9509 -1.9499 -1.9499 -1.3691 -1.3691 -1.3681 -1.3680 -1.1882 -1.1882 -1.1878 -1.1878 -0.6021 -0.6021 -0.6019 -0.6019 -0.4041 -0.4041 -0.4040 -0.4040 0.3934 0.3934 0.3939 0.3939 0.4835 0.4835 0.4836 0.4836 1.3960 1.3960 1.3965 1.3965 9.3993 9.3993 9.4001 9.4001 9.8515 9.8515 9.8520 9.8520 10.7255 10.7255 10.7268 10.7268 k = 0.1250 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.9109 -17.9109 -17.9109 -17.9109 -16.9264 -16.9264 -16.9264 -16.9264 -16.1304 -16.1304 -16.1303 -16.1303 -16.0737 -16.0737 -16.0736 -16.0736 -7.3973 -7.3973 -7.3972 -7.3972 -5.2297 -5.2297 -5.2297 -5.2297 -4.3315 -4.3315 -4.3314 -4.3314 -4.1928 -4.1928 -4.1926 -4.1926 -1.9521 -1.9521 -1.9510 -1.9510 -1.3675 -1.3675 -1.3663 -1.3663 -1.2063 -1.2063 -1.2059 -1.2059 -0.5962 -0.5962 -0.5959 -0.5959 -0.3895 -0.3895 -0.3894 -0.3894 0.3728 0.3728 0.3734 0.3734 0.4844 0.4844 0.4845 0.4845 1.3802 1.3802 1.3807 1.3807 9.4237 9.4237 9.4247 9.4247 9.8624 9.8624 9.8629 9.8629 10.7501 10.7501 10.7516 10.7516 k = 0.1406 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.9012 -17.9012 -17.9012 -17.9012 -16.9369 -16.9369 -16.9369 -16.9369 -16.1307 -16.1307 -16.1307 -16.1307 -16.0768 -16.0768 -16.0768 -16.0768 -7.3722 -7.3722 -7.3721 -7.3721 -5.2583 -5.2583 -5.2582 -5.2582 -4.3224 -4.3224 -4.3223 -4.3223 -4.1806 -4.1806 -4.1803 -4.1803 -1.9533 -1.9533 -1.9521 -1.9521 -1.3653 -1.3653 -1.3640 -1.3640 -1.2259 -1.2259 -1.2255 -1.2255 -0.5905 -0.5905 -0.5903 -0.5903 -0.3735 -0.3735 -0.3734 -0.3734 0.3502 0.3502 0.3508 0.3508 0.4856 0.4856 0.4857 0.4857 1.3627 1.3627 1.3632 1.3632 9.4508 9.4508 9.4519 9.4519 9.8745 9.8745 9.8751 9.8751 10.7775 10.7775 10.7791 10.7791 k = 0.1562 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.8904 -17.8904 -17.8903 -17.8903 -16.9487 -16.9487 -16.9486 -16.9486 -16.1311 -16.1311 -16.1311 -16.1311 -16.0801 -16.0801 -16.0801 -16.0801 -7.3445 -7.3445 -7.3444 -7.3444 -5.2892 -5.2892 -5.2891 -5.2891 -4.3123 -4.3123 -4.3122 -4.3122 -4.1679 -4.1679 -4.1677 -4.1676 -1.9545 -1.9545 -1.9532 -1.9532 -1.3624 -1.3624 -1.3610 -1.3610 -1.2470 -1.2470 -1.2465 -1.2465 -0.5856 -0.5856 -0.5853 -0.5853 -0.3563 -0.3563 -0.3562 -0.3562 0.3260 0.3260 0.3266 0.3266 0.4871 0.4871 0.4872 0.4872 1.3436 1.3436 1.3442 1.3442 9.4804 9.4804 9.4815 9.4816 9.8878 9.8878 9.8884 9.8885 10.8075 10.8075 10.8093 10.8093 k = 0.1719 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.8785 -17.8785 -17.8784 -17.8784 -16.9616 -16.9616 -16.9616 -16.9616 -16.1315 -16.1315 -16.1315 -16.1315 -16.0836 -16.0836 -16.0836 -16.0836 -7.3143 -7.3143 -7.3141 -7.3141 -5.3223 -5.3223 -5.3222 -5.3222 -4.3014 -4.3014 -4.3013 -4.3013 -4.1550 -4.1550 -4.1547 -4.1547 -1.9556 -1.9556 -1.9542 -1.9542 -1.3586 -1.3586 -1.3571 -1.3571 -1.2691 -1.2691 -1.2687 -1.2687 -0.5816 -0.5816 -0.5813 -0.5813 -0.3381 -0.3381 -0.3379 -0.3379 0.3004 0.3004 0.3010 0.3010 0.4889 0.4889 0.4890 0.4890 1.3231 1.3231 1.3237 1.3237 9.5122 9.5122 9.5135 9.5135 9.9021 9.9021 9.9029 9.9029 10.8400 10.8400 10.8419 10.8419 k = 0.1875 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.8655 -17.8655 -17.8655 -17.8654 -16.9757 -16.9757 -16.9757 -16.9757 -16.1319 -16.1319 -16.1319 -16.1319 -16.0872 -16.0872 -16.0871 -16.0871 -7.2816 -7.2816 -7.2815 -7.2815 -5.3574 -5.3574 -5.3574 -5.3574 -4.2897 -4.2897 -4.2897 -4.2897 -4.1420 -4.1420 -4.1417 -4.1417 -1.9565 -1.9565 -1.9550 -1.9550 -1.3538 -1.3538 -1.3523 -1.3523 -1.2923 -1.2923 -1.2919 -1.2919 -0.5790 -0.5790 -0.5786 -0.5786 -0.3190 -0.3190 -0.3188 -0.3188 0.2738 0.2738 0.2744 0.2744 0.4912 0.4912 0.4913 0.4913 1.3013 1.3013 1.3019 1.3019 9.5459 9.5460 9.5474 9.5474 9.9174 9.9175 9.9182 9.9182 10.8747 10.8747 10.8767 10.8767 k = 0.2031 0.5000 0.3583 ( 6344 PWs) bands (ev): -17.8515 -17.8515 -17.8515 -17.8514 -16.9910 -16.9910 -16.9910 -16.9910 -16.1324 -16.1324 -16.1323 -16.1323 -16.0908 -16.0908 -16.0908 -16.0908 -7.2467 -7.2467 -7.2465 -7.2465 -5.3944 -5.3944 -5.3943 -5.3943 -4.2773 -4.2773 -4.2772 -4.2772 -4.1291 -4.1291 -4.1288 -4.1288 -1.9571 -1.9571 -1.9556 -1.9556 -1.3481 -1.3481 -1.3467 -1.3467 -1.3163 -1.3163 -1.3160 -1.3160 -0.5779 -0.5779 -0.5775 -0.5775 -0.2992 -0.2992 -0.2991 -0.2991 0.2467 0.2467 0.2474 0.2474 0.4940 0.4940 0.4940 0.4940 1.2782 1.2782 1.2789 1.2789 9.5815 9.5815 9.5830 9.5830 9.9336 9.9336 9.9345 9.9345 10.9114 10.9114 10.9135 10.9136 k = 0.2188 0.5000 0.3583 ( 6348 PWs) bands (ev): -17.8365 -17.8365 -17.8364 -17.8364 -17.0074 -17.0074 -17.0074 -17.0074 -16.1328 -16.1328 -16.1328 -16.1328 -16.0945 -16.0945 -16.0944 -16.0944 -7.2095 -7.2095 -7.2093 -7.2093 -5.4330 -5.4330 -5.4330 -5.4330 -4.2643 -4.2643 -4.2642 -4.2642 -4.1165 -4.1165 -4.1162 -4.1162 -1.9574 -1.9574 -1.9558 -1.9558 -1.3446 -1.3446 -1.3429 -1.3429 -1.3392 -1.3392 -1.3364 -1.3364 -0.5788 -0.5788 -0.5784 -0.5784 -0.2790 -0.2790 -0.2789 -0.2789 0.2196 0.2196 0.2202 0.2202 0.4973 0.4973 0.4974 0.4974 1.2541 1.2541 1.2548 1.2548 9.6184 9.6184 9.6201 9.6201 9.9505 9.9505 9.9514 9.9514 10.9499 10.9499 10.9521 10.9521 k = 0.2344 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.8205 -17.8205 -17.8204 -17.8204 -17.0250 -17.0250 -17.0249 -17.0249 -16.1333 -16.1333 -16.1333 -16.1333 -16.0981 -16.0981 -16.0980 -16.0980 -7.1703 -7.1703 -7.1701 -7.1701 -5.4733 -5.4733 -5.4733 -5.4733 -4.2507 -4.2507 -4.2506 -4.2506 -4.1042 -4.1042 -4.1039 -4.1039 -1.9573 -1.9573 -1.9556 -1.9556 -1.3678 -1.3678 -1.3667 -1.3667 -1.3329 -1.3329 -1.3307 -1.3307 -0.5820 -0.5820 -0.5815 -0.5815 -0.2586 -0.2586 -0.2584 -0.2584 0.1928 0.1928 0.1934 0.1934 0.5013 0.5013 0.5014 0.5014 1.2291 1.2291 1.2297 1.2297 9.6565 9.6565 9.6583 9.6583 9.9679 9.9680 9.9690 9.9690 10.9900 10.9900 10.9922 10.9923 k = 0.2500 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.8035 -17.8035 -17.8035 -17.8035 -17.0435 -17.0435 -17.0435 -17.0435 -16.1338 -16.1338 -16.1337 -16.1337 -16.1016 -16.1016 -16.1016 -16.1016 -7.1291 -7.1291 -7.1289 -7.1289 -5.5150 -5.5150 -5.5150 -5.5150 -4.2366 -4.2366 -4.2365 -4.2365 -4.0925 -4.0925 -4.0921 -4.0921 -1.9566 -1.9566 -1.9549 -1.9549 -1.3937 -1.3937 -1.3927 -1.3927 -1.3236 -1.3236 -1.3215 -1.3215 -0.5877 -0.5877 -0.5871 -0.5871 -0.2380 -0.2380 -0.2378 -0.2378 0.1669 0.1669 0.1675 0.1675 0.5060 0.5060 0.5061 0.5061 1.2031 1.2031 1.2038 1.2038 9.6955 9.6955 9.6974 9.6974 9.9858 9.9859 9.9870 9.9870 11.0313 11.0313 11.0336 11.0336 k = 0.2656 0.5000 0.3583 ( 6332 PWs) bands (ev): -17.7857 -17.7857 -17.7856 -17.7856 -17.0631 -17.0631 -17.0630 -17.0630 -16.1342 -16.1342 -16.1342 -16.1342 -16.1051 -16.1051 -16.1050 -16.1050 -7.0861 -7.0861 -7.0859 -7.0859 -5.5581 -5.5581 -5.5581 -5.5581 -4.2222 -4.2222 -4.2221 -4.2221 -4.0813 -4.0813 -4.0810 -4.0810 -1.9553 -1.9553 -1.9536 -1.9535 -1.4202 -1.4202 -1.4192 -1.4192 -1.3130 -1.3130 -1.3109 -1.3109 -0.5961 -0.5961 -0.5956 -0.5956 -0.2176 -0.2176 -0.2174 -0.2174 0.1423 0.1423 0.1429 0.1429 0.5117 0.5117 0.5117 0.5117 1.1765 1.1765 1.1771 1.1771 9.7350 9.7350 9.7370 9.7370 10.0040 10.0040 10.0052 10.0052 11.0736 11.0736 11.0760 11.0760 k = 0.2812 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.7669 -17.7669 -17.7668 -17.7668 -17.0836 -17.0836 -17.0836 -17.0836 -16.1347 -16.1347 -16.1347 -16.1347 -16.1084 -16.1084 -16.1083 -16.1083 -7.0415 -7.0415 -7.0413 -7.0413 -5.6024 -5.6024 -5.6024 -5.6024 -4.2075 -4.2075 -4.2074 -4.2074 -4.0709 -4.0709 -4.0706 -4.0706 -1.9533 -1.9533 -1.9515 -1.9515 -1.4471 -1.4471 -1.4461 -1.4461 -1.3010 -1.3010 -1.2990 -1.2990 -0.6076 -0.6076 -0.6070 -0.6070 -0.1975 -0.1975 -0.1973 -0.1973 0.1194 0.1194 0.1200 0.1200 0.5182 0.5182 0.5183 0.5183 1.1491 1.1491 1.1497 1.1497 9.7746 9.7746 9.7768 9.7768 10.0223 10.0223 10.0236 10.0236 11.1167 11.1167 11.1190 11.1190 k = 0.2969 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.7472 -17.7472 -17.7472 -17.7472 -17.1051 -17.1051 -17.1050 -17.1050 -16.1352 -16.1351 -16.1351 -16.1351 -16.1116 -16.1116 -16.1115 -16.1115 -6.9953 -6.9953 -6.9951 -6.9951 -5.6480 -5.6479 -5.6479 -5.6479 -4.1926 -4.1926 -4.1925 -4.1925 -4.0613 -4.0613 -4.0610 -4.0610 -1.9504 -1.9504 -1.9485 -1.9485 -1.4743 -1.4743 -1.4732 -1.4732 -1.2877 -1.2877 -1.2857 -1.2857 -0.6222 -0.6222 -0.6215 -0.6215 -0.1779 -0.1779 -0.1778 -0.1778 0.0985 0.0985 0.0991 0.0991 0.5259 0.5259 0.5260 0.5260 1.1212 1.1212 1.1218 1.1218 9.8141 9.8141 9.8164 9.8164 10.0404 10.0404 10.0418 10.0418 11.1602 11.1602 11.1625 11.1626 k = 0.3125 0.5000 0.3583 ( 6332 PWs) bands (ev): -17.7268 -17.7268 -17.7267 -17.7267 -17.1273 -17.1273 -17.1273 -17.1273 -16.1356 -16.1356 -16.1355 -16.1355 -16.1146 -16.1146 -16.1145 -16.1145 -6.9477 -6.9477 -6.9475 -6.9475 -5.6946 -5.6946 -5.6946 -5.6946 -4.1777 -4.1777 -4.1776 -4.1776 -4.0526 -4.0526 -4.0522 -4.0522 -1.9465 -1.9465 -1.9446 -1.9446 -1.5016 -1.5016 -1.5004 -1.5004 -1.2730 -1.2730 -1.2710 -1.2710 -0.6398 -0.6398 -0.6391 -0.6391 -0.1590 -0.1590 -0.1589 -0.1589 0.0798 0.0798 0.0803 0.0803 0.5347 0.5347 0.5348 0.5348 1.0928 1.0928 1.0934 1.0934 9.8530 9.8530 9.8554 9.8554 10.0583 10.0583 10.0597 10.0597 11.2040 11.2040 11.2062 11.2063 k = 0.3281 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.7055 -17.7055 -17.7055 -17.7055 -17.1504 -17.1504 -17.1503 -17.1503 -16.1360 -16.1360 -16.1359 -16.1359 -16.1174 -16.1174 -16.1173 -16.1173 -6.8989 -6.8989 -6.8987 -6.8987 -5.7423 -5.7423 -5.7422 -5.7422 -4.1629 -4.1629 -4.1627 -4.1627 -4.0448 -4.0448 -4.0445 -4.0445 -1.9416 -1.9416 -1.9397 -1.9397 -1.5289 -1.5289 -1.5277 -1.5277 -1.2569 -1.2569 -1.2549 -1.2549 -0.6604 -0.6604 -0.6596 -0.6596 -0.1410 -0.1410 -0.1408 -0.1408 0.0634 0.0634 0.0639 0.0639 0.5448 0.5448 0.5449 0.5449 1.0641 1.0641 1.0647 1.0647 9.8911 9.8911 9.8935 9.8936 10.0756 10.0756 10.0771 10.0772 11.2477 11.2477 11.2499 11.2499 k = 0.3438 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.6836 -17.6836 -17.6835 -17.6835 -17.1741 -17.1741 -17.1741 -17.1740 -16.1363 -16.1363 -16.1363 -16.1363 -16.1200 -16.1200 -16.1199 -16.1199 -6.8489 -6.8489 -6.8487 -6.8487 -5.7909 -5.7909 -5.7908 -5.7908 -4.1483 -4.1483 -4.1481 -4.1481 -4.0381 -4.0381 -4.0377 -4.0377 -1.9356 -1.9356 -1.9337 -1.9337 -1.5562 -1.5562 -1.5549 -1.5549 -1.2394 -1.2394 -1.2374 -1.2374 -0.6838 -0.6838 -0.6829 -0.6829 -0.1240 -0.1240 -0.1238 -0.1238 0.0492 0.0492 0.0497 0.0497 0.5562 0.5563 0.5564 0.5564 1.0350 1.0350 1.0356 1.0356 9.9279 9.9279 9.9304 9.9304 10.0921 10.0921 10.0938 10.0938 11.2911 11.2911 11.2932 11.2932 k = 0.3594 0.5000 0.3583 ( 6344 PWs) bands (ev): -17.6609 -17.6609 -17.6608 -17.6608 -17.1985 -17.1985 -17.1984 -17.1984 -16.1367 -16.1367 -16.1366 -16.1366 -16.1224 -16.1224 -16.1224 -16.1224 -6.7979 -6.7979 -6.7977 -6.7977 -5.8404 -5.8404 -5.8404 -5.8404 -4.1339 -4.1339 -4.1337 -4.1337 -4.0324 -4.0324 -4.0321 -4.0321 -1.9283 -1.9283 -1.9264 -1.9264 -1.5833 -1.5833 -1.5820 -1.5820 -1.2205 -1.2205 -1.2185 -1.2184 -0.7096 -0.7096 -0.7087 -0.7087 -0.1081 -0.1081 -0.1079 -0.1079 0.0372 0.0372 0.0376 0.0376 0.5692 0.5692 0.5693 0.5693 1.0058 1.0058 1.0064 1.0064 9.9630 9.9630 9.9656 9.9656 10.1076 10.1076 10.1094 10.1094 11.3341 11.3341 11.3361 11.3361 k = 0.3750 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.6376 -17.6376 -17.6375 -17.6375 -17.2234 -17.2234 -17.2234 -17.2234 -16.1369 -16.1369 -16.1369 -16.1369 -16.1247 -16.1247 -16.1246 -16.1246 -6.7461 -6.7461 -6.7458 -6.7458 -5.8907 -5.8907 -5.8907 -5.8907 -4.1200 -4.1200 -4.1198 -4.1198 -4.0279 -4.0279 -4.0276 -4.0276 -1.9198 -1.9198 -1.9179 -1.9179 -1.6101 -1.6101 -1.6087 -1.6087 -1.2001 -1.2001 -1.1981 -1.1981 -0.7375 -0.7375 -0.7366 -0.7366 -0.0934 -0.0934 -0.0932 -0.0932 0.0271 0.0271 0.0275 0.0275 0.5836 0.5836 0.5837 0.5837 0.9765 0.9765 0.9770 0.9770 9.9962 9.9962 9.9989 9.9989 10.1219 10.1219 10.1238 10.1238 11.3765 11.3765 11.3783 11.3783 k = 0.3906 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.6136 -17.6136 -17.6135 -17.6135 -17.2489 -17.2489 -17.2488 -17.2488 -16.1371 -16.1371 -16.1371 -16.1371 -16.1267 -16.1267 -16.1266 -16.1266 -6.6935 -6.6935 -6.6933 -6.6933 -5.9418 -5.9418 -5.9418 -5.9418 -4.1066 -4.1066 -4.1064 -4.1064 -4.0246 -4.0246 -4.0243 -4.0243 -1.9099 -1.9099 -1.9081 -1.9081 -1.6366 -1.6366 -1.6351 -1.6351 -1.1784 -1.1784 -1.1764 -1.1764 -0.7671 -0.7671 -0.7661 -0.7661 -0.0800 -0.0800 -0.0798 -0.0798 0.0186 0.0186 0.0190 0.0190 0.5995 0.5995 0.5997 0.5997 0.9472 0.9472 0.9477 0.9477 10.0270 10.0271 10.0298 10.0298 10.1346 10.1346 10.1366 10.1366 11.4181 11.4181 11.4198 11.4198 k = 0.4062 0.5000 0.3583 ( 6344 PWs) bands (ev): -17.5891 -17.5891 -17.5891 -17.5891 -17.2747 -17.2747 -17.2746 -17.2746 -16.1372 -16.1372 -16.1372 -16.1372 -16.1284 -16.1284 -16.1284 -16.1284 -6.6403 -6.6403 -6.6401 -6.6401 -5.9936 -5.9936 -5.9935 -5.9935 -4.0939 -4.0939 -4.0937 -4.0937 -4.0225 -4.0225 -4.0222 -4.0222 -1.8987 -1.8987 -1.8969 -1.8969 -1.6625 -1.6625 -1.6610 -1.6610 -1.1552 -1.1552 -1.1533 -1.1533 -0.7980 -0.7980 -0.7969 -0.7969 -0.0679 -0.0679 -0.0677 -0.0677 0.0115 0.0115 0.0118 0.0118 0.6170 0.6170 0.6172 0.6172 0.9180 0.9180 0.9184 0.9184 10.0553 10.0553 10.0580 10.0581 10.1455 10.1455 10.1476 10.1476 11.4589 11.4590 11.4605 11.4605 k = 0.4219 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.5642 -17.5642 -17.5641 -17.5641 -17.3009 -17.3009 -17.3008 -17.3008 -16.1373 -16.1373 -16.1373 -16.1373 -16.1300 -16.1300 -16.1299 -16.1299 -6.5866 -6.5866 -6.5864 -6.5864 -6.0460 -6.0460 -6.0459 -6.0459 -4.0820 -4.0820 -4.0818 -4.0818 -4.0217 -4.0217 -4.0214 -4.0214 -1.8861 -1.8861 -1.8843 -1.8843 -1.6879 -1.6878 -1.6863 -1.6863 -1.1307 -1.1307 -1.1288 -1.1288 -0.8297 -0.8297 -0.8285 -0.8285 -0.0571 -0.0571 -0.0569 -0.0569 0.0054 0.0054 0.0057 0.0057 0.6360 0.6360 0.6362 0.6362 0.8889 0.8889 0.8894 0.8894 10.0806 10.0806 10.0834 10.0834 10.1543 10.1543 10.1565 10.1565 11.4990 11.4990 11.5003 11.5003 k = 0.4375 0.5000 0.3583 ( 6332 PWs) bands (ev): -17.5387 -17.5387 -17.5387 -17.5387 -17.3273 -17.3273 -17.3272 -17.3272 -16.1373 -16.1373 -16.1372 -16.1372 -16.1314 -16.1314 -16.1313 -16.1313 -6.5325 -6.5325 -6.5323 -6.5323 -6.0989 -6.0989 -6.0988 -6.0988 -4.0709 -4.0709 -4.0707 -4.0707 -4.0222 -4.0222 -4.0219 -4.0219 -1.8720 -1.8720 -1.8703 -1.8703 -1.7125 -1.7125 -1.7108 -1.7108 -1.1049 -1.1049 -1.1030 -1.1030 -0.8619 -0.8619 -0.8607 -0.8607 -0.0475 -0.0475 -0.0473 -0.0473 0.0001 0.0001 0.0004 0.0004 0.6564 0.6564 0.6566 0.6566 0.8602 0.8603 0.8607 0.8607 10.1029 10.1029 10.1056 10.1057 10.1608 10.1608 10.1631 10.1631 11.5383 11.5383 11.5394 11.5394 k = 0.4531 0.5000 0.3583 ( 6344 PWs) bands (ev): -17.5130 -17.5130 -17.5129 -17.5129 -17.3539 -17.3539 -17.3538 -17.3538 -16.1372 -16.1372 -16.1371 -16.1371 -16.1325 -16.1325 -16.1324 -16.1324 -6.4782 -6.4782 -6.4780 -6.4780 -6.1523 -6.1523 -6.1522 -6.1522 -4.0608 -4.0608 -4.0606 -4.0605 -4.0239 -4.0239 -4.0236 -4.0236 -1.8566 -1.8566 -1.8549 -1.8549 -1.7362 -1.7362 -1.7344 -1.7344 -1.0779 -1.0779 -1.0760 -1.0760 -0.8942 -0.8942 -0.8929 -0.8929 -0.0391 -0.0391 -0.0389 -0.0389 -0.0048 -0.0048 -0.0046 -0.0046 0.6782 0.6782 0.6784 0.6784 0.8320 0.8320 0.8324 0.8324 10.1218 10.1218 10.1246 10.1246 10.1646 10.1646 10.1670 10.1670 11.5768 11.5768 11.5778 11.5778 k = 0.4688 0.5000 0.3583 ( 6340 PWs) bands (ev): -17.4869 -17.4868 -17.4868 -17.4868 -17.3805 -17.3805 -17.3805 -17.3805 -16.1370 -16.1370 -16.1370 -16.1370 -16.1335 -16.1335 -16.1334 -16.1334 -6.4237 -6.4237 -6.4235 -6.4235 -6.2061 -6.2061 -6.2060 -6.2060 -4.0517 -4.0517 -4.0515 -4.0515 -4.0270 -4.0270 -4.0267 -4.0267 -1.8398 -1.8398 -1.8383 -1.8383 -1.7590 -1.7590 -1.7571 -1.7571 -1.0497 -1.0497 -1.0479 -1.0479 -0.9263 -0.9263 -0.9250 -0.9250 -0.0318 -0.0318 -0.0316 -0.0316 -0.0095 -0.0095 -0.0093 -0.0093 0.7013 0.7013 0.7015 0.7015 0.8043 0.8043 0.8047 0.8047 10.1373 10.1373 10.1401 10.1401 10.1656 10.1657 10.1681 10.1681 11.6147 11.6147 11.6155 11.6155 k = 0.4844 0.5000 0.3583 ( 6336 PWs) bands (ev): -17.4605 -17.4605 -17.4604 -17.4604 -17.4072 -17.4072 -17.4072 -17.4072 -16.1368 -16.1368 -16.1368 -16.1368 -16.1341 -16.1341 -16.1340 -16.1340 -6.3692 -6.3692 -6.3690 -6.3690 -6.2602 -6.2602 -6.2601 -6.2601 -4.0438 -4.0438 -4.0435 -4.0435 -4.0313 -4.0313 -4.0309 -4.0309 -1.8220 -1.8220 -1.8207 -1.8207 -1.7805 -1.7805 -1.7783 -1.7783 -1.0207 -1.0207 -1.0187 -1.0187 -0.9577 -0.9577 -0.9565 -0.9565 -0.0254 -0.0254 -0.0252 -0.0252 -0.0143 -0.0143 -0.0141 -0.0141 0.7254 0.7255 0.7257 0.7257 0.7773 0.7773 0.7777 0.7777 10.1494 10.1494 10.1521 10.1521 10.1636 10.1636 10.1662 10.1662 11.6519 11.6519 11.6525 11.6525 k = 0.5000 0.5000 0.3583 ( 6320 PWs) bands (ev): -17.4348 -17.4348 -17.4346 -17.4346 -17.4331 -17.4331 -17.4331 -17.4331 -16.1367 -16.1367 -16.1367 -16.1367 -16.1343 -16.1343 -16.1342 -16.1342 -6.3172 -6.3172 -6.3169 -6.3169 -6.3120 -6.3120 -6.3120 -6.3120 -4.0377 -4.0377 -4.0377 -4.0377 -4.0361 -4.0361 -4.0355 -4.0355 -1.8069 -1.8069 -1.8069 -1.8069 -1.7967 -1.7967 -1.7932 -1.7932 -0.9962 -0.9962 -0.9931 -0.9931 -0.9830 -0.9830 -0.9830 -0.9830 -0.0208 -0.0208 -0.0203 -0.0203 -0.0184 -0.0184 -0.0184 -0.0184 0.7481 0.7481 0.7481 0.7481 0.7538 0.7538 0.7544 0.7544 10.1568 10.1568 10.1596 10.1596 10.1596 10.1596 10.1621 10.1621 11.6849 11.6850 11.6858 11.6858 k = 0.5000 0.5000 0.3583 ( 6320 PWs) bands (ev): -17.4348 -17.4348 -17.4346 -17.4346 -17.4331 -17.4331 -17.4331 -17.4331 -16.1367 -16.1367 -16.1367 -16.1367 -16.1343 -16.1343 -16.1342 -16.1342 -6.3172 -6.3172 -6.3169 -6.3169 -6.3120 -6.3120 -6.3120 -6.3120 -4.0377 -4.0377 -4.0377 -4.0377 -4.0361 -4.0361 -4.0355 -4.0355 -1.8069 -1.8069 -1.8069 -1.8069 -1.7967 -1.7967 -1.7932 -1.7932 -0.9962 -0.9962 -0.9931 -0.9931 -0.9830 -0.9830 -0.9830 -0.9830 -0.0208 -0.0208 -0.0203 -0.0203 -0.0184 -0.0184 -0.0184 -0.0184 0.7481 0.7481 0.7481 0.7481 0.7538 0.7538 0.7544 0.7544 10.1568 10.1568 10.1596 10.1596 10.1596 10.1596 10.1621 10.1621 11.6849 11.6849 11.6858 11.6858 k = 0.4889 0.4889 0.3583 ( 6336 PWs) bands (ev): -17.4606 -17.4606 -17.4606 -17.4606 -17.4071 -17.4071 -17.4070 -17.4070 -16.1368 -16.1368 -16.1368 -16.1368 -16.1341 -16.1341 -16.1340 -16.1340 -6.3695 -6.3695 -6.3693 -6.3693 -6.2599 -6.2599 -6.2598 -6.2598 -4.0438 -4.0438 -4.0436 -4.0436 -4.0312 -4.0312 -4.0309 -4.0309 -1.8221 -1.8220 -1.8208 -1.8208 -1.7804 -1.7804 -1.7782 -1.7782 -1.0208 -1.0208 -1.0189 -1.0189 -0.9576 -0.9576 -0.9563 -0.9563 -0.0255 -0.0255 -0.0250 -0.0250 -0.0145 -0.0145 -0.0140 -0.0140 0.7253 0.7253 0.7257 0.7257 0.7774 0.7774 0.7779 0.7779 10.1490 10.1490 10.1516 10.1516 10.1641 10.1641 10.1665 10.1665 11.6518 11.6518 11.6524 11.6524 k = 0.4778 0.4778 0.3583 ( 6344 PWs) bands (ev): -17.4872 -17.4872 -17.4871 -17.4871 -17.3802 -17.3802 -17.3801 -17.3801 -16.1370 -16.1370 -16.1369 -16.1369 -16.1335 -16.1335 -16.1333 -16.1333 -6.4244 -6.4244 -6.4241 -6.4241 -6.2056 -6.2056 -6.2054 -6.2054 -4.0519 -4.0519 -4.0516 -4.0516 -4.0269 -4.0269 -4.0266 -4.0266 -1.8400 -1.8400 -1.8384 -1.8384 -1.7588 -1.7588 -1.7568 -1.7568 -1.0501 -1.0501 -1.0482 -1.0482 -0.9259 -0.9259 -0.9245 -0.9245 -0.0318 -0.0318 -0.0310 -0.0310 -0.0103 -0.0103 -0.0093 -0.0093 0.7010 0.7010 0.7017 0.7017 0.8043 0.8043 0.8049 0.8049 10.1345 10.1345 10.1368 10.1368 10.1688 10.1688 10.1708 10.1708 11.6149 11.6149 11.6157 11.6157 k = 0.4667 0.4667 0.3583 ( 6346 PWs) bands (ev): -17.5136 -17.5136 -17.5135 -17.5135 -17.3532 -17.3532 -17.3531 -17.3531 -16.1372 -16.1372 -16.1370 -16.1370 -16.1326 -16.1326 -16.1324 -16.1324 -6.4792 -6.4792 -6.4789 -6.4789 -6.1515 -6.1515 -6.1512 -6.1512 -4.0611 -4.0611 -4.0608 -4.0608 -4.0238 -4.0238 -4.0234 -4.0234 -1.8568 -1.8568 -1.8551 -1.8551 -1.7359 -1.7359 -1.7341 -1.7341 -1.0786 -1.0786 -1.0767 -1.0767 -0.8935 -0.8935 -0.8920 -0.8920 -0.0385 -0.0385 -0.0374 -0.0374 -0.0067 -0.0067 -0.0052 -0.0052 0.6782 0.6782 0.6792 0.6792 0.8316 0.8316 0.8324 0.8324 10.1132 10.1132 10.1153 10.1154 10.1737 10.1737 10.1753 10.1753 11.5782 11.5782 11.5793 11.5793 k = 0.4556 0.4556 0.3583 ( 6338 PWs) bands (ev): -17.5397 -17.5397 -17.5396 -17.5396 -17.3263 -17.3263 -17.3261 -17.3261 -16.1373 -16.1373 -16.1370 -16.1370 -16.1316 -16.1316 -16.1313 -16.1313 -6.5340 -6.5340 -6.5337 -6.5337 -6.0978 -6.0978 -6.0975 -6.0975 -4.0715 -4.0715 -4.0711 -4.0711 -4.0219 -4.0219 -4.0215 -4.0215 -1.8721 -1.8721 -1.8703 -1.8703 -1.7121 -1.7121 -1.7104 -1.7104 -1.1061 -1.1061 -1.1040 -1.1040 -0.8607 -0.8607 -0.8591 -0.8591 -0.0455 -0.0455 -0.0442 -0.0442 -0.0040 -0.0040 -0.0019 -0.0019 0.6572 0.6572 0.6586 0.6586 0.8592 0.8592 0.8602 0.8602 10.0848 10.0848 10.0868 10.0868 10.1796 10.1796 10.1809 10.1809 11.5420 11.5420 11.5435 11.5435 k = 0.4444 0.4444 0.3583 ( 6344 PWs) bands (ev): -17.5657 -17.5657 -17.5655 -17.5655 -17.2993 -17.2993 -17.2991 -17.2991 -16.1372 -16.1372 -16.1369 -16.1369 -16.1304 -16.1304 -16.1300 -16.1300 -6.5886 -6.5886 -6.5882 -6.5882 -6.0447 -6.0447 -6.0443 -6.0443 -4.0829 -4.0829 -4.0825 -4.0825 -4.0212 -4.0212 -4.0208 -4.0208 -1.8859 -1.8859 -1.8840 -1.8840 -1.6875 -1.6875 -1.6859 -1.6859 -1.1325 -1.1325 -1.1303 -1.1303 -0.8278 -0.8278 -0.8260 -0.8260 -0.0527 -0.0527 -0.0513 -0.0513 -0.0020 -0.0020 0.0006 0.0006 0.6383 0.6383 0.6402 0.6402 0.8867 0.8867 0.8878 0.8878 10.0494 10.0494 10.0514 10.0514 10.1867 10.1867 10.1876 10.1877 11.5065 11.5065 11.5084 11.5084 k = 0.4333 0.4333 0.3583 ( 6344 PWs) bands (ev): -17.5913 -17.5913 -17.5912 -17.5912 -17.2724 -17.2724 -17.2722 -17.2722 -16.1370 -16.1370 -16.1366 -16.1366 -16.1290 -16.1290 -16.1285 -16.1285 -6.6429 -6.6429 -6.6425 -6.6425 -5.9921 -5.9921 -5.9916 -5.9916 -4.0954 -4.0954 -4.0948 -4.0948 -4.0217 -4.0217 -4.0212 -4.0212 -1.8981 -1.8981 -1.8962 -1.8962 -1.6622 -1.6622 -1.6607 -1.6607 -1.1578 -1.1578 -1.1555 -1.1555 -0.7951 -0.7951 -0.7931 -0.7931 -0.0600 -0.0600 -0.0586 -0.0586 -0.0009 -0.0009 0.0023 0.0023 0.6219 0.6219 0.6242 0.6242 0.9140 0.9140 0.9153 0.9153 10.0076 10.0076 10.0096 10.0096 10.1951 10.1951 10.1958 10.1958 11.4718 11.4718 11.4741 11.4741 k = 0.4222 0.4222 0.3583 ( 6336 PWs) bands (ev): -17.6167 -17.6167 -17.6165 -17.6165 -17.2456 -17.2456 -17.2454 -17.2454 -16.1367 -16.1367 -16.1362 -16.1362 -16.1275 -16.1275 -16.1269 -16.1269 -6.6970 -6.6970 -6.6965 -6.6965 -5.9402 -5.9402 -5.9397 -5.9397 -4.1087 -4.1087 -4.1081 -4.1081 -4.0233 -4.0233 -4.0227 -4.0227 -1.9086 -1.9086 -1.9066 -1.9066 -1.6364 -1.6364 -1.6349 -1.6349 -1.1819 -1.1819 -1.1794 -1.1794 -0.7630 -0.7630 -0.7606 -0.7606 -0.0673 -0.0673 -0.0661 -0.0661 -0.0004 -0.0004 0.0032 0.0032 0.6082 0.6082 0.6110 0.6110 0.9410 0.9410 0.9423 0.9423 9.9598 9.9598 9.9620 9.9620 10.2049 10.2049 10.2055 10.2055 11.4380 11.4380 11.4406 11.4406 k = 0.4111 0.4111 0.3583 ( 6348 PWs) bands (ev): -17.6417 -17.6417 -17.6416 -17.6416 -17.2189 -17.2189 -17.2187 -17.2187 -16.1362 -16.1362 -16.1356 -16.1356 -16.1258 -16.1258 -16.1252 -16.1252 -6.7506 -6.7506 -6.7501 -6.7501 -5.8892 -5.8892 -5.8886 -5.8886 -4.1229 -4.1229 -4.1221 -4.1221 -4.0259 -4.0259 -4.0253 -4.0253 -1.9174 -1.9174 -1.9154 -1.9154 -1.6103 -1.6103 -1.6088 -1.6088 -1.2048 -1.2048 -1.2022 -1.2022 -0.7318 -0.7318 -0.7290 -0.7290 -0.0747 -0.0747 -0.0736 -0.0736 -0.0005 -0.0005 0.0036 0.0036 0.5974 0.5974 0.6008 0.6008 0.9673 0.9673 0.9688 0.9688 9.9069 9.9069 9.9091 9.9091 10.2160 10.2160 10.2166 10.2166 11.4050 11.4050 11.4079 11.4079 k = 0.4000 0.4000 0.3583 ( 6356 PWs) bands (ev): -17.6664 -17.6664 -17.6662 -17.6662 -17.1924 -17.1924 -17.1921 -17.1921 -16.1356 -16.1356 -16.1349 -16.1349 -16.1241 -16.1241 -16.1233 -16.1233 -6.8038 -6.8038 -6.8033 -6.8033 -5.8391 -5.8391 -5.8383 -5.8383 -4.1377 -4.1377 -4.1369 -4.1369 -4.0295 -4.0295 -4.0289 -4.0289 -1.9245 -1.9245 -1.9225 -1.9225 -1.5838 -1.5838 -1.5824 -1.5824 -1.2266 -1.2266 -1.2238 -1.2238 -0.7021 -0.7021 -0.6988 -0.6988 -0.0819 -0.0819 -0.0811 -0.0811 -0.0007 -0.0007 0.0036 0.0036 0.5898 0.5898 0.5936 0.5936 0.9930 0.9930 0.9945 0.9945 9.8494 9.8494 9.8517 9.8517 10.2286 10.2286 10.2293 10.2293 11.3727 11.3727 11.3760 11.3760 k = 0.3889 0.3889 0.3583 ( 6348 PWs) bands (ev): -17.6907 -17.6907 -17.6905 -17.6905 -17.1661 -17.1661 -17.1657 -17.1657 -16.1349 -16.1349 -16.1340 -16.1340 -16.1222 -16.1222 -16.1213 -16.1213 -6.8565 -6.8565 -6.8560 -6.8560 -5.7900 -5.7900 -5.7892 -5.7892 -4.1531 -4.1531 -4.1522 -4.1522 -4.0340 -4.0340 -4.0333 -4.0333 -1.9299 -1.9299 -1.9278 -1.9278 -1.5573 -1.5573 -1.5558 -1.5558 -1.2472 -1.2472 -1.2442 -1.2442 -0.6743 -0.6743 -0.6705 -0.6705 -0.0893 -0.0893 -0.0883 -0.0883 -0.0007 -0.0007 0.0037 0.0037 0.5853 0.5853 0.5896 0.5896 1.0178 1.0178 1.0195 1.0195 9.7881 9.7881 9.7905 9.7905 10.2427 10.2427 10.2434 10.2434 11.3413 11.3413 11.3449 11.3449 k = 0.3778 0.3778 0.3583 ( 6348 PWs) bands (ev): -17.7146 -17.7146 -17.7144 -17.7144 -17.1400 -17.1400 -17.1396 -17.1396 -16.1340 -16.1340 -16.1330 -16.1330 -16.1202 -16.1202 -16.1192 -16.1192 -6.9086 -6.9086 -6.9080 -6.9080 -5.7420 -5.7420 -5.7411 -5.7411 -4.1689 -4.1689 -4.1679 -4.1679 -4.0394 -4.0394 -4.0386 -4.0386 -1.9334 -1.9334 -1.9313 -1.9313 -1.5309 -1.5309 -1.5294 -1.5294 -1.2666 -1.2666 -1.2634 -1.2634 -0.6492 -0.6492 -0.6448 -0.6448 -0.0968 -0.0968 -0.0951 -0.0951 0.0002 0.0002 0.0044 0.0044 0.5840 0.5840 0.5887 0.5887 1.0416 1.0416 1.0434 1.0434 9.7235 9.7235 9.7260 9.7260 10.2582 10.2582 10.2591 10.2591 11.3106 11.3106 11.3145 11.3145 k = 0.3667 0.3667 0.3583 ( 6352 PWs) bands (ev): -17.7381 -17.7381 -17.7379 -17.7379 -17.1142 -17.1142 -17.1138 -17.1138 -16.1330 -16.1330 -16.1318 -16.1318 -16.1181 -16.1181 -16.1169 -16.1169 -6.9601 -6.9601 -6.9595 -6.9595 -5.6954 -5.6954 -5.6944 -5.6944 -4.1851 -4.1851 -4.1839 -4.1839 -4.0455 -4.0455 -4.0447 -4.0447 -1.9353 -1.9353 -1.9331 -1.9331 -1.5047 -1.5047 -1.5031 -1.5031 -1.2847 -1.2847 -1.2814 -1.2814 -0.6273 -0.6273 -0.6223 -0.6222 -0.1044 -0.1044 -0.1016 -0.1016 0.0027 0.0027 0.0067 0.0067 0.5858 0.5858 0.5909 0.5909 1.0645 1.0645 1.0663 1.0663 9.6564 9.6564 9.6589 9.6590 10.2751 10.2751 10.2762 10.2762 11.2807 11.2807 11.2849 11.2849 k = 0.3556 0.3556 0.3583 ( 6344 PWs) bands (ev): -17.7611 -17.7611 -17.7609 -17.7609 -17.0887 -17.0887 -17.0882 -17.0882 -16.1319 -16.1319 -16.1305 -16.1305 -16.1159 -16.1159 -16.1146 -16.1146 -7.0108 -7.0108 -7.0102 -7.0102 -5.6501 -5.6501 -5.6490 -5.6490 -4.2014 -4.2014 -4.2000 -4.2000 -4.0522 -4.0522 -4.0514 -4.0514 -1.9353 -1.9353 -1.9331 -1.9331 -1.4791 -1.4791 -1.4773 -1.4773 -1.3015 -1.3015 -1.2979 -1.2979 -0.6093 -0.6093 -0.6035 -0.6035 -0.1123 -0.1123 -0.1082 -0.1082 0.0078 0.0078 0.0113 0.0113 0.5906 0.5906 0.5960 0.5960 1.0861 1.0861 1.0880 1.0880 9.5873 9.5873 9.5899 9.5899 10.2935 10.2935 10.2948 10.2948 11.2516 11.2516 11.2561 11.2561 k = 0.3444 0.3444 0.3583 ( 6348 PWs) bands (ev): -17.7836 -17.7836 -17.7834 -17.7834 -17.0635 -17.0635 -17.0630 -17.0630 -16.1306 -16.1306 -16.1291 -16.1291 -16.1136 -16.1136 -16.1121 -16.1121 -7.0608 -7.0608 -7.0601 -7.0601 -5.6064 -5.6064 -5.6052 -5.6052 -4.2176 -4.2176 -4.2162 -4.2162 -4.0595 -4.0595 -4.0586 -4.0586 -1.9336 -1.9336 -1.9313 -1.9313 -1.4545 -1.4545 -1.4524 -1.4524 -1.3167 -1.3167 -1.3128 -1.3128 -0.5956 -0.5956 -0.5891 -0.5891 -0.1205 -0.1205 -0.1152 -0.1152 0.0161 0.0161 0.0192 0.0192 0.5982 0.5982 0.6039 0.6039 1.1065 1.1065 1.1085 1.1085 9.5167 9.5167 9.5193 9.5193 10.3133 10.3133 10.3149 10.3149 11.2235 11.2235 11.2282 11.2282 k = 0.3333 0.3333 0.3583 ( 6350 PWs) bands (ev): -17.8057 -17.8057 -17.8055 -17.8055 -17.0388 -17.0388 -17.0382 -17.0382 -16.1292 -16.1292 -16.1275 -16.1275 -16.1112 -16.1112 -16.1096 -16.1096 -7.1100 -7.1100 -7.1093 -7.1093 -5.5643 -5.5643 -5.5630 -5.5630 -4.2338 -4.2338 -4.2321 -4.2321 -4.0673 -4.0673 -4.0664 -4.0664 -1.9301 -1.9301 -1.9278 -1.9278 -1.4317 -1.4317 -1.4292 -1.4292 -1.3297 -1.3297 -1.3252 -1.3252 -0.5865 -0.5865 -0.5793 -0.5793 -0.1292 -0.1292 -0.1228 -0.1228 0.0284 0.0284 0.0311 0.0311 0.6084 0.6084 0.6143 0.6143 1.1256 1.1256 1.1276 1.1276 9.4451 9.4451 9.4477 9.4477 10.3345 10.3345 10.3363 10.3363 11.1964 11.1964 11.2013 11.2013 k = 0.3222 0.3222 0.3583 ( 6346 PWs) bands (ev): -17.8272 -17.8272 -17.8270 -17.8270 -17.0144 -17.0144 -17.0139 -17.0139 -16.1277 -16.1277 -16.1259 -16.1259 -16.1087 -16.1087 -16.1069 -16.1069 -7.1582 -7.1582 -7.1575 -7.1575 -5.5241 -5.5241 -5.5226 -5.5226 -4.2496 -4.2496 -4.2478 -4.2478 -4.0755 -4.0755 -4.0745 -4.0745 -1.9250 -1.9250 -1.9226 -1.9226 -1.4130 -1.4130 -1.4098 -1.4098 -1.3383 -1.3383 -1.3333 -1.3333 -0.5819 -0.5819 -0.5742 -0.5742 -0.1386 -0.1386 -0.1312 -0.1312 0.0449 0.0449 0.0473 0.0473 0.6210 0.6210 0.6271 0.6271 1.1433 1.1433 1.1454 1.1454 9.3730 9.3730 9.3756 9.3756 10.3571 10.3571 10.3591 10.3591 11.1704 11.1704 11.1755 11.1755 k = 0.3111 0.3111 0.3583 ( 6346 PWs) bands (ev): -17.8482 -17.8482 -17.8480 -17.8480 -16.9906 -16.9906 -16.9900 -16.9900 -16.1261 -16.1261 -16.1241 -16.1241 -16.1061 -16.1061 -16.1042 -16.1042 -7.2055 -7.2055 -7.2048 -7.2048 -5.4857 -5.4857 -5.4842 -5.4842 -4.2650 -4.2650 -4.2630 -4.2630 -4.0840 -4.0840 -4.0829 -4.0829 -1.9182 -1.9182 -1.9157 -1.9157 -1.4023 -1.4023 -1.3988 -1.3988 -1.3381 -1.3381 -1.3331 -1.3331 -0.5818 -0.5818 -0.5735 -0.5735 -0.1487 -0.1487 -0.1406 -0.1406 0.0657 0.0657 0.0679 0.0679 0.6356 0.6356 0.6419 0.6419 1.1597 1.1597 1.1618 1.1618 9.3007 9.3007 9.3033 9.3033 10.3809 10.3810 10.3833 10.3833 11.1456 11.1456 11.1509 11.1509 k = 0.3000 0.3000 0.3583 ( 6338 PWs) bands (ev): -17.8686 -17.8686 -17.8684 -17.8684 -16.9672 -16.9672 -16.9666 -16.9666 -16.1244 -16.1244 -16.1222 -16.1222 -16.1035 -16.1035 -16.1014 -16.1014 -7.2518 -7.2518 -7.2510 -7.2510 -5.4494 -5.4494 -5.4478 -5.4478 -4.2797 -4.2797 -4.2776 -4.2776 -4.0927 -4.0927 -4.0914 -4.0914 -1.9098 -1.9098 -1.9073 -1.9073 -1.4022 -1.4022 -1.3990 -1.3990 -1.3263 -1.3263 -1.3223 -1.3223 -0.5856 -0.5856 -0.5769 -0.5769 -0.1596 -0.1596 -0.1509 -0.1509 0.0904 0.0904 0.0926 0.0926 0.6522 0.6522 0.6586 0.6586 1.1745 1.1745 1.1767 1.1767 9.2287 9.2287 9.2312 9.2312 10.4060 10.4060 10.4086 10.4086 11.1222 11.1222 11.1276 11.1276 k = 0.2889 0.2889 0.3583 ( 6332 PWs) bands (ev): -17.8885 -17.8885 -17.8882 -17.8882 -16.9444 -16.9444 -16.9438 -16.9438 -16.1226 -16.1226 -16.1202 -16.1202 -16.1008 -16.1008 -16.0985 -16.0985 -7.2970 -7.2970 -7.2962 -7.2962 -5.4153 -5.4153 -5.4136 -5.4136 -4.2937 -4.2937 -4.2914 -4.2914 -4.1015 -4.1015 -4.1001 -4.1001 -1.8998 -1.8998 -1.8972 -1.8972 -1.4088 -1.4088 -1.4058 -1.4058 -1.3078 -1.3078 -1.3047 -1.3047 -0.5927 -0.5927 -0.5837 -0.5837 -0.1712 -0.1712 -0.1621 -0.1621 0.1186 0.1186 0.1208 0.1208 0.6704 0.6704 0.6769 0.6769 1.1879 1.1879 1.1901 1.1901 9.1572 9.1572 9.1597 9.1597 10.4322 10.4322 10.4351 10.4351 11.1002 11.1002 11.1057 11.1058 k = 0.2778 0.2778 0.3583 ( 6336 PWs) bands (ev): -17.9077 -17.9077 -17.9075 -17.9075 -16.9222 -16.9222 -16.9215 -16.9215 -16.1207 -16.1207 -16.1181 -16.1181 -16.0980 -16.0980 -16.0956 -16.0956 -7.3411 -7.3411 -7.3403 -7.3403 -5.3835 -5.3835 -5.3817 -5.3817 -4.3069 -4.3069 -4.3043 -4.3043 -4.1103 -4.1103 -4.1088 -4.1088 -1.8884 -1.8884 -1.8857 -1.8857 -1.4180 -1.4180 -1.4150 -1.4150 -1.2870 -1.2870 -1.2845 -1.2845 -0.6027 -0.6027 -0.5934 -0.5934 -0.1834 -0.1834 -0.1741 -0.1741 0.1497 0.1497 0.1521 0.1521 0.6900 0.6900 0.6965 0.6965 1.1997 1.1997 1.2020 1.2020 9.0866 9.0866 9.0890 9.0890 10.4594 10.4594 10.4626 10.4626 11.0797 11.0797 11.0854 11.0854 k = 0.2667 0.2667 0.3583 ( 6320 PWs) bands (ev): -17.9264 -17.9264 -17.9261 -17.9261 -16.9006 -16.9006 -16.8999 -16.8999 -16.1188 -16.1188 -16.1160 -16.1160 -16.0952 -16.0952 -16.0926 -16.0926 -7.3840 -7.3840 -7.3832 -7.3832 -5.3541 -5.3541 -5.3521 -5.3521 -4.3190 -4.3190 -4.3162 -4.3162 -4.1190 -4.1190 -4.1174 -4.1174 -1.8756 -1.8756 -1.8728 -1.8728 -1.4280 -1.4280 -1.4248 -1.4248 -1.2656 -1.2656 -1.2634 -1.2634 -0.6148 -0.6148 -0.6053 -0.6053 -0.1964 -0.1964 -0.1868 -0.1868 0.1831 0.1831 0.1857 0.1857 0.7108 0.7108 0.7174 0.7174 1.2100 1.2100 1.2124 1.2124 9.0171 9.0171 9.0195 9.0195 10.4875 10.4875 10.4910 10.4910 11.0609 11.0609 11.0666 11.0666 k = 0.2556 0.2556 0.3583 ( 6310 PWs) bands (ev): -17.9444 -17.9444 -17.9442 -17.9442 -16.8797 -16.8797 -16.8789 -16.8789 -16.1168 -16.1168 -16.1138 -16.1138 -16.0923 -16.0923 -16.0896 -16.0896 -7.4256 -7.4256 -7.4249 -7.4249 -5.3271 -5.3271 -5.3251 -5.3251 -4.3300 -4.3300 -4.3270 -4.3270 -4.1276 -4.1276 -4.1258 -4.1258 -1.8615 -1.8615 -1.8586 -1.8586 -1.4380 -1.4380 -1.4346 -1.4346 -1.2444 -1.2444 -1.2424 -1.2424 -0.6285 -0.6285 -0.6188 -0.6188 -0.2099 -0.2099 -0.2003 -0.2003 0.2185 0.2185 0.2213 0.2213 0.7325 0.7325 0.7392 0.7392 1.2188 1.2188 1.2213 1.2213 8.9489 8.9489 8.9513 8.9513 10.5162 10.5162 10.5201 10.5201 11.0438 11.0438 11.0495 11.0495 k = 0.2444 0.2444 0.3583 ( 6302 PWs) bands (ev): -17.9618 -17.9618 -17.9615 -17.9615 -16.8594 -16.8594 -16.8586 -16.8586 -16.1147 -16.1147 -16.1116 -16.1116 -16.0894 -16.0894 -16.0865 -16.0865 -7.4660 -7.4660 -7.4652 -7.4652 -5.3026 -5.3026 -5.3005 -5.3005 -4.3399 -4.3399 -4.3367 -4.3367 -4.1359 -4.1359 -4.1339 -4.1339 -1.8463 -1.8463 -1.8433 -1.8433 -1.4478 -1.4478 -1.4441 -1.4441 -1.2237 -1.2237 -1.2217 -1.2217 -0.6434 -0.6434 -0.6335 -0.6335 -0.2241 -0.2241 -0.2144 -0.2144 0.2552 0.2552 0.2581 0.2581 0.7550 0.7550 0.7617 0.7617 1.2261 1.2261 1.2286 1.2286 8.8824 8.8824 8.8847 8.8847 10.5454 10.5454 10.5496 10.5496 11.0285 11.0285 11.0342 11.0342 k = 0.2333 0.2333 0.3583 ( 6310 PWs) bands (ev): -17.9785 -17.9785 -17.9782 -17.9782 -16.8399 -16.8399 -16.8390 -16.8390 -16.1126 -16.1126 -16.1094 -16.1094 -16.0865 -16.0865 -16.0835 -16.0835 -7.5050 -7.5050 -7.5042 -7.5042 -5.2807 -5.2807 -5.2786 -5.2786 -4.3486 -4.3486 -4.3451 -4.3451 -4.1439 -4.1439 -4.1417 -4.1417 -1.8301 -1.8301 -1.8269 -1.8269 -1.4571 -1.4571 -1.4532 -1.4532 -1.2036 -1.2036 -1.2016 -1.2016 -0.6589 -0.6589 -0.6490 -0.6490 -0.2388 -0.2388 -0.2291 -0.2291 0.2928 0.2928 0.2960 0.2960 0.7780 0.7780 0.7848 0.7848 1.2319 1.2319 1.2345 1.2345 8.8176 8.8176 8.8199 8.8199 10.5748 10.5748 10.5793 10.5793 11.0150 11.0150 11.0206 11.0206 k = 0.2222 0.2222 0.3583 ( 6316 PWs) bands (ev): -17.9945 -17.9945 -17.9943 -17.9943 -16.8211 -16.8211 -16.8202 -16.8202 -16.1105 -16.1105 -16.1071 -16.1071 -16.0836 -16.0836 -16.0804 -16.0804 -7.5426 -7.5426 -7.5419 -7.5419 -5.2614 -5.2613 -5.2592 -5.2592 -4.3561 -4.3561 -4.3523 -4.3523 -4.1515 -4.1515 -4.1491 -4.1491 -1.8130 -1.8130 -1.8097 -1.8097 -1.4659 -1.4659 -1.4618 -1.4618 -1.1841 -1.1841 -1.1822 -1.1822 -0.6748 -0.6748 -0.6647 -0.6647 -0.2542 -0.2542 -0.2444 -0.2444 0.3311 0.3311 0.3345 0.3345 0.8013 0.8013 0.8081 0.8081 1.2363 1.2363 1.2390 1.2390 8.7548 8.7548 8.7570 8.7570 10.6041 10.6041 10.6089 10.6089 11.0033 11.0033 11.0089 11.0089 k = 0.2111 0.2111 0.3583 ( 6332 PWs) bands (ev): -18.0098 -18.0098 -18.0096 -18.0096 -16.8031 -16.8031 -16.8022 -16.8022 -16.1084 -16.1084 -16.1048 -16.1048 -16.0806 -16.0806 -16.0773 -16.0773 -7.5787 -7.5787 -7.5780 -7.5780 -5.2445 -5.2445 -5.2423 -5.2423 -4.3624 -4.3624 -4.3583 -4.3583 -4.1586 -4.1586 -4.1559 -4.1559 -1.7953 -1.7953 -1.7919 -1.7919 -1.4740 -1.4740 -1.4696 -1.4696 -1.1654 -1.1654 -1.1635 -1.1635 -0.6908 -0.6908 -0.6806 -0.6806 -0.2700 -0.2700 -0.2602 -0.2602 0.3697 0.3697 0.3732 0.3732 0.8247 0.8247 0.8316 0.8316 1.2392 1.2392 1.2420 1.2420 8.6942 8.6942 8.6963 8.6963 10.6330 10.6330 10.6379 10.6379 10.9936 10.9936 10.9989 10.9989 k = 0.2000 0.2000 0.3583 ( 6328 PWs) bands (ev): -18.0245 -18.0245 -18.0242 -18.0242 -16.7859 -16.7859 -16.7850 -16.7850 -16.1062 -16.1062 -16.1026 -16.1026 -16.0776 -16.0776 -16.0743 -16.0743 -7.6134 -7.6134 -7.6127 -7.6127 -5.2300 -5.2300 -5.2278 -5.2278 -4.3675 -4.3675 -4.3632 -4.3632 -4.1651 -4.1651 -4.1622 -4.1622 -1.7772 -1.7772 -1.7736 -1.7736 -1.4813 -1.4813 -1.4766 -1.4766 -1.1475 -1.1475 -1.1455 -1.1455 -0.7066 -0.7066 -0.6962 -0.6962 -0.2864 -0.2864 -0.2766 -0.2766 0.4083 0.4083 0.4121 0.4121 0.8480 0.8480 0.8550 0.8550 1.2408 1.2408 1.2438 1.2438 8.6358 8.6358 8.6379 8.6379 10.6611 10.6611 10.6661 10.6661 10.9858 10.9858 10.9908 10.9908 k = 0.1889 0.1889 0.3583 ( 6334 PWs) bands (ev): -18.0384 -18.0384 -18.0382 -18.0382 -16.7696 -16.7696 -16.7686 -16.7686 -16.1041 -16.1041 -16.1004 -16.1004 -16.0747 -16.0746 -16.0712 -16.0712 -7.6465 -7.6465 -7.6458 -7.6458 -5.2178 -5.2178 -5.2156 -5.2156 -4.3717 -4.3717 -4.3671 -4.3671 -4.1710 -4.1710 -4.1679 -4.1679 -1.7590 -1.7590 -1.7553 -1.7553 -1.4876 -1.4876 -1.4827 -1.4827 -1.1305 -1.1305 -1.1284 -1.1284 -0.7219 -0.7219 -0.7113 -0.7113 -0.3033 -0.3033 -0.2935 -0.2935 0.4468 0.4468 0.4507 0.4507 0.8709 0.8709 0.8780 0.8780 1.2411 1.2411 1.2442 1.2442 8.5799 8.5799 8.5819 8.5819 10.6879 10.6880 10.6930 10.6930 10.9799 10.9799 10.9845 10.9845 k = 0.1778 0.1778 0.3583 ( 6326 PWs) bands (ev): -18.0516 -18.0516 -18.0513 -18.0513 -16.7540 -16.7540 -16.7530 -16.7530 -16.1020 -16.1020 -16.0982 -16.0982 -16.0717 -16.0717 -16.0682 -16.0682 -7.6779 -7.6779 -7.6773 -7.6773 -5.2078 -5.2078 -5.2056 -5.2056 -4.3749 -4.3749 -4.3701 -4.3701 -4.1762 -4.1762 -4.1728 -4.1728 -1.7411 -1.7411 -1.7372 -1.7372 -1.4927 -1.4927 -1.4875 -1.4875 -1.1143 -1.1143 -1.1122 -1.1122 -0.7366 -0.7366 -0.7258 -0.7258 -0.3207 -0.3207 -0.3108 -0.3108 0.4849 0.4849 0.4891 0.4891 0.8933 0.8933 0.9006 0.9006 1.2402 1.2402 1.2435 1.2435 8.5265 8.5265 8.5285 8.5285 10.7133 10.7133 10.7182 10.7182 10.9757 10.9758 10.9798 10.9798 k = 0.1667 0.1667 0.3583 ( 6326 PWs) bands (ev): -18.0640 -18.0640 -18.0638 -18.0638 -16.7394 -16.7394 -16.7384 -16.7384 -16.1000 -16.1000 -16.0961 -16.0961 -16.0688 -16.0688 -16.0653 -16.0653 -7.7078 -7.7078 -7.7071 -7.7071 -5.1997 -5.1997 -5.1976 -5.1976 -4.3774 -4.3774 -4.3724 -4.3724 -4.1807 -4.1807 -4.1771 -4.1771 -1.7239 -1.7239 -1.7199 -1.7199 -1.4963 -1.4963 -1.4908 -1.4908 -1.0989 -1.0989 -1.0968 -1.0968 -0.7504 -0.7504 -0.7394 -0.7394 -0.3384 -0.3384 -0.3286 -0.3286 0.5225 0.5225 0.5269 0.5269 0.9149 0.9149 0.9224 0.9224 1.2381 1.2381 1.2418 1.2418 8.4759 8.4759 8.4778 8.4778 10.7366 10.7367 10.7412 10.7412 10.9732 10.9732 10.9766 10.9766 k = 0.1556 0.1556 0.3583 ( 6350 PWs) bands (ev): -18.0757 -18.0757 -18.0755 -18.0755 -16.7257 -16.7257 -16.7246 -16.7246 -16.0980 -16.0980 -16.0941 -16.0941 -16.0659 -16.0659 -16.0625 -16.0625 -7.7359 -7.7359 -7.7353 -7.7353 -5.1934 -5.1934 -5.1913 -5.1913 -4.3793 -4.3793 -4.3740 -4.3740 -4.1845 -4.1845 -4.1806 -4.1806 -1.7078 -1.7078 -1.7037 -1.7037 -1.4981 -1.4981 -1.4923 -1.4923 -1.0845 -1.0845 -1.0824 -1.0824 -0.7634 -0.7634 -0.7521 -0.7521 -0.3566 -0.3566 -0.3467 -0.3467 0.5594 0.5594 0.5640 0.5640 0.9354 0.9354 0.9431 0.9431 1.2350 1.2350 1.2391 1.2391 8.4280 8.4280 8.4298 8.4298 10.7579 10.7579 10.7619 10.7619 10.9719 10.9719 10.9748 10.9748 k = 0.1444 0.1444 0.3583 ( 6350 PWs) bands (ev): -18.0866 -18.0866 -18.0864 -18.0864 -16.7128 -16.7128 -16.7118 -16.7118 -16.0960 -16.0960 -16.0922 -16.0922 -16.0631 -16.0631 -16.0597 -16.0597 -7.7623 -7.7623 -7.7617 -7.7617 -5.1886 -5.1886 -5.1867 -5.1866 -4.3808 -4.3808 -4.3752 -4.3752 -4.1875 -4.1875 -4.1834 -4.1834 -1.6935 -1.6935 -1.6893 -1.6893 -1.4976 -1.4976 -1.4916 -1.4916 -1.0711 -1.0711 -1.0689 -1.0689 -0.7752 -0.7752 -0.7637 -0.7637 -0.3750 -0.3750 -0.3650 -0.3650 0.5956 0.5956 0.6004 0.6004 0.9546 0.9546 0.9626 0.9626 1.2311 1.2311 1.2356 1.2356 8.3830 8.3830 8.3848 8.3848 10.7768 10.7768 10.7801 10.7801 10.9713 10.9713 10.9740 10.9740 k = 0.1333 0.1333 0.3583 ( 6346 PWs) bands (ev): -18.0968 -18.0968 -18.0966 -18.0966 -16.7009 -16.7009 -16.6999 -16.6999 -16.0942 -16.0942 -16.0903 -16.0903 -16.0604 -16.0604 -16.0570 -16.0570 -7.7869 -7.7869 -7.7863 -7.7863 -5.1852 -5.1852 -5.1833 -5.1833 -4.3818 -4.3818 -4.3761 -4.3761 -4.1898 -4.1898 -4.1855 -4.1855 -1.6813 -1.6813 -1.6772 -1.6772 -1.4947 -1.4947 -1.4885 -1.4885 -1.0586 -1.0586 -1.0565 -1.0565 -0.7858 -0.7858 -0.7740 -0.7740 -0.3936 -0.3936 -0.3836 -0.3836 0.6309 0.6309 0.6359 0.6359 0.9722 0.9722 0.9806 0.9806 1.2266 1.2266 1.2316 1.2316 8.3410 8.3410 8.3427 8.3427 10.7935 10.7935 10.7960 10.7960 10.9709 10.9709 10.9739 10.9739 k = 0.1222 0.1222 0.3583 ( 6342 PWs) bands (ev): -18.1062 -18.1062 -18.1059 -18.1059 -16.6899 -16.6899 -16.6889 -16.6889 -16.0925 -16.0925 -16.0886 -16.0886 -16.0578 -16.0578 -16.0545 -16.0545 -7.8097 -7.8097 -7.8091 -7.8091 -5.1829 -5.1829 -5.1811 -5.1811 -4.3827 -4.3827 -4.3767 -4.3767 -4.1915 -4.1915 -4.1869 -4.1869 -1.6715 -1.6715 -1.6676 -1.6676 -1.4892 -1.4892 -1.4829 -1.4829 -1.0473 -1.0473 -1.0451 -1.0451 -0.7951 -0.7951 -0.7829 -0.7829 -0.4122 -0.4122 -0.4022 -0.4022 0.6652 0.6652 0.6705 0.6705 0.9879 0.9879 0.9967 0.9967 1.2216 1.2216 1.2272 1.2272 8.3021 8.3021 8.3037 8.3037 10.8080 10.8080 10.8098 10.8098 10.9703 10.9703 10.9741 10.9741 k = 0.1111 0.1111 0.3583 ( 6354 PWs) bands (ev): -18.1148 -18.1148 -18.1145 -18.1145 -16.6799 -16.6799 -16.6788 -16.6788 -16.0908 -16.0908 -16.0870 -16.0870 -16.0554 -16.0554 -16.0521 -16.0521 -7.8306 -7.8306 -7.8301 -7.8301 -5.1815 -5.1815 -5.1799 -5.1799 -4.3834 -4.3834 -4.3773 -4.3773 -4.1925 -4.1925 -4.1878 -4.1878 -1.6643 -1.6643 -1.6606 -1.6606 -1.4812 -1.4812 -1.4749 -1.4749 -1.0370 -1.0370 -1.0349 -1.0349 -0.8029 -0.8029 -0.7904 -0.7904 -0.4309 -0.4309 -0.4207 -0.4207 0.6985 0.6985 0.7040 0.7040 1.0012 1.0012 1.0105 1.0105 1.2164 1.2164 1.2227 1.2227 8.2663 8.2663 8.2679 8.2679 10.8204 10.8204 10.8219 10.8219 10.9692 10.9692 10.9739 10.9739 k = 0.1000 0.1000 0.3583 ( 6344 PWs) bands (ev): -18.1225 -18.1225 -18.1223 -18.1223 -16.6708 -16.6708 -16.6697 -16.6697 -16.0893 -16.0893 -16.0855 -16.0855 -16.0531 -16.0531 -16.0499 -16.0499 -7.8496 -7.8496 -7.8491 -7.8491 -5.1808 -5.1808 -5.1793 -5.1793 -4.3840 -4.3840 -4.3778 -4.3778 -4.1930 -4.1930 -4.1881 -4.1881 -1.6593 -1.6593 -1.6559 -1.6559 -1.4712 -1.4712 -1.4649 -1.4649 -1.0280 -1.0280 -1.0259 -1.0259 -0.8092 -0.8092 -0.7963 -0.7963 -0.4492 -0.4492 -0.4390 -0.4390 0.7306 0.7306 0.7364 0.7364 1.0119 1.0119 1.0217 1.0217 1.2114 1.2114 1.2184 1.2184 8.2337 8.2337 8.2352 8.2352 10.8311 10.8311 10.8329 10.8329 10.9673 10.9673 10.9729 10.9729 k = 0.0889 0.0889 0.3583 ( 6348 PWs) bands (ev): -18.1295 -18.1295 -18.1293 -18.1293 -16.6626 -16.6626 -16.6616 -16.6616 -16.0879 -16.0879 -16.0842 -16.0842 -16.0509 -16.0509 -16.0478 -16.0478 -7.8668 -7.8668 -7.8663 -7.8663 -5.1807 -5.1807 -5.1793 -5.1793 -4.3845 -4.3845 -4.3782 -4.3782 -4.1930 -4.1930 -4.1881 -4.1881 -1.6562 -1.6562 -1.6533 -1.6533 -1.4598 -1.4598 -1.4536 -1.4536 -1.0201 -1.0201 -1.0181 -1.0181 -0.8139 -0.8139 -0.8006 -0.8006 -0.4671 -0.4671 -0.4569 -0.4569 0.7616 0.7616 0.7677 0.7677 1.0195 1.0195 1.0297 1.0297 1.2070 1.2070 1.2147 1.2147 8.2044 8.2044 8.2059 8.2059 10.8405 10.8405 10.8429 10.8429 10.9646 10.9646 10.9709 10.9709 k = 0.0778 0.0778 0.3583 ( 6336 PWs) bands (ev): -18.1357 -18.1357 -18.1355 -18.1355 -16.6554 -16.6554 -16.6544 -16.6544 -16.0866 -16.0866 -16.0830 -16.0830 -16.0490 -16.0490 -16.0460 -16.0460 -7.8819 -7.8819 -7.8815 -7.8815 -5.1809 -5.1809 -5.1797 -5.1797 -4.3851 -4.3851 -4.3787 -4.3787 -4.1927 -4.1927 -4.1877 -4.1877 -1.6546 -1.6546 -1.6520 -1.6520 -1.4478 -1.4478 -1.4418 -1.4418 -1.0136 -1.0136 -1.0117 -1.0117 -0.8170 -0.8170 -0.8033 -0.8033 -0.4843 -0.4843 -0.4740 -0.4740 0.7914 0.7914 0.7977 0.7977 1.0237 1.0237 1.0343 1.0343 1.2034 1.2034 1.2117 1.2117 8.1784 8.1784 8.1799 8.1799 10.8490 10.8490 10.8520 10.8520 10.9611 10.9611 10.9679 10.9679 k = 0.0667 0.0667 0.3583 ( 6332 PWs) bands (ev): -18.1411 -18.1411 -18.1409 -18.1409 -16.6492 -16.6492 -16.6481 -16.6481 -16.0855 -16.0855 -16.0820 -16.0820 -16.0472 -16.0472 -16.0443 -16.0443 -7.8951 -7.8951 -7.8947 -7.8947 -5.1814 -5.1814 -5.1804 -5.1804 -4.3856 -4.3856 -4.3791 -4.3791 -4.1922 -4.1922 -4.1871 -4.1871 -1.6540 -1.6540 -1.6517 -1.6517 -1.4360 -1.4360 -1.4300 -1.4300 -1.0082 -1.0082 -1.0065 -1.0065 -0.8187 -0.8187 -0.8046 -0.8046 -0.5005 -0.5005 -0.4902 -0.4902 0.8198 0.8198 0.8265 0.8265 1.0243 1.0243 1.0351 1.0351 1.2010 1.2010 1.2098 1.2098 8.1557 8.1557 8.1572 8.1572 10.8568 10.8568 10.8604 10.8604 10.9567 10.9567 10.9640 10.9640 k = 0.0556 0.0556 0.3583 ( 6336 PWs) bands (ev): -18.1456 -18.1456 -18.1454 -18.1454 -16.6439 -16.6439 -16.6428 -16.6428 -16.0846 -16.0846 -16.0811 -16.0811 -16.0457 -16.0457 -16.0429 -16.0429 -7.9063 -7.9063 -7.9060 -7.9060 -5.1820 -5.1820 -5.1812 -5.1812 -4.3860 -4.3860 -4.3795 -4.3795 -4.1916 -4.1916 -4.1864 -4.1864 -1.6541 -1.6541 -1.6520 -1.6520 -1.4249 -1.4249 -1.4190 -1.4190 -1.0041 -1.0041 -1.0025 -1.0025 -0.8190 -0.8190 -0.8047 -0.8047 -0.5153 -0.5153 -0.5050 -0.5050 0.8469 0.8469 0.8539 0.8539 1.0213 1.0213 1.0320 1.0320 1.1997 1.1997 1.2087 1.2087 8.1365 8.1365 8.1380 8.1380 10.8641 10.8641 10.8681 10.8681 10.9519 10.9519 10.9593 10.9593 k = 0.0444 0.0444 0.3583 ( 6332 PWs) bands (ev): -18.1493 -18.1493 -18.1491 -18.1491 -16.6396 -16.6396 -16.6385 -16.6385 -16.0838 -16.0838 -16.0804 -16.0804 -16.0444 -16.0444 -16.0417 -16.0417 -7.9155 -7.9155 -7.9152 -7.9152 -5.1826 -5.1826 -5.1819 -5.1819 -4.3864 -4.3864 -4.3799 -4.3799 -4.1909 -4.1909 -4.1858 -4.1858 -1.6544 -1.6544 -1.6526 -1.6526 -1.4150 -1.4150 -1.4093 -1.4093 -1.0009 -1.0009 -0.9996 -0.9996 -0.8185 -0.8185 -0.8039 -0.8039 -0.5283 -0.5283 -0.5180 -0.5180 0.8726 0.8726 0.8800 0.8800 1.0149 1.0149 1.0253 1.0253 1.1993 1.1993 1.2085 1.2085 8.1208 8.1208 8.1222 8.1222 10.8710 10.8710 10.8752 10.8752 10.9468 10.9468 10.9541 10.9541 k = 0.0333 0.0333 0.3583 ( 6336 PWs) bands (ev): -18.1522 -18.1522 -18.1520 -18.1520 -16.6362 -16.6362 -16.6352 -16.6352 -16.0832 -16.0832 -16.0798 -16.0798 -16.0435 -16.0435 -16.0408 -16.0408 -7.9227 -7.9227 -7.9224 -7.9224 -5.1832 -5.1832 -5.1827 -5.1827 -4.3868 -4.3868 -4.3802 -4.3802 -4.1904 -4.1904 -4.1851 -4.1851 -1.6549 -1.6549 -1.6533 -1.6533 -1.4069 -1.4069 -1.4013 -1.4013 -0.9987 -0.9987 -0.9976 -0.9976 -0.8174 -0.8174 -0.8026 -0.8026 -0.5392 -0.5392 -0.5288 -0.5288 0.8968 0.8968 0.9046 0.9046 1.0052 1.0052 1.0152 1.0152 1.1996 1.1996 1.2088 1.2088 8.1085 8.1085 8.1099 8.1099 10.8773 10.8773 10.8814 10.8814 10.9418 10.9418 10.9489 10.9489 k = 0.0222 0.0222 0.3583 ( 6344 PWs) bands (ev): -18.1543 -18.1543 -18.1541 -18.1541 -16.6338 -16.6338 -16.6328 -16.6328 -16.0828 -16.0828 -16.0794 -16.0794 -16.0427 -16.0427 -16.0401 -16.0401 -7.9278 -7.9278 -7.9275 -7.9275 -5.1836 -5.1836 -5.1833 -5.1832 -4.3870 -4.3870 -4.3805 -4.3805 -4.1899 -4.1899 -4.1847 -4.1847 -1.6554 -1.6554 -1.6539 -1.6539 -1.4009 -1.4009 -1.3953 -1.3953 -0.9971 -0.9971 -0.9963 -0.9963 -0.8161 -0.8161 -0.8013 -0.8013 -0.5473 -0.5473 -0.5369 -0.5369 0.9193 0.9193 0.9276 0.9276 0.9929 0.9929 1.0022 1.0022 1.2001 1.2001 1.2092 1.2092 8.0997 8.0997 8.1010 8.1010 10.8827 10.8828 10.8864 10.8864 10.9375 10.9375 10.9441 10.9441 k = 0.0111 0.0111 0.3583 ( 6344 PWs) bands (ev): -18.1556 -18.1556 -18.1554 -18.1554 -16.6323 -16.6323 -16.6313 -16.6313 -16.0825 -16.0825 -16.0792 -16.0792 -16.0423 -16.0423 -16.0397 -16.0397 -7.9309 -7.9309 -7.9306 -7.9306 -5.1839 -5.1839 -5.1836 -5.1836 -4.3872 -4.3872 -4.3806 -4.3806 -4.1896 -4.1896 -4.1844 -4.1844 -1.6557 -1.6557 -1.6542 -1.6542 -1.3972 -1.3972 -1.3916 -1.3916 -0.9962 -0.9962 -0.9957 -0.9957 -0.8152 -0.8152 -0.8003 -0.8003 -0.5524 -0.5524 -0.5420 -0.5420 0.9399 0.9399 0.9490 0.9490 0.9783 0.9783 0.9868 0.9868 1.2005 1.2005 1.2096 1.2096 8.0944 8.0944 8.0958 8.0958 10.8868 10.8868 10.8895 10.8895 10.9346 10.9346 10.9405 10.9405 k = 0.0000 0.0000 0.3583 ( 6348 PWs) bands (ev): -18.1560 -18.1560 -18.1558 -18.1558 -16.6319 -16.6319 -16.6308 -16.6308 -16.0824 -16.0824 -16.0791 -16.0791 -16.0421 -16.0421 -16.0396 -16.0396 -7.9319 -7.9319 -7.9317 -7.9317 -5.1839 -5.1839 -5.1838 -5.1838 -4.3872 -4.3872 -4.3807 -4.3807 -4.1895 -4.1895 -4.1843 -4.1843 -1.6558 -1.6558 -1.6544 -1.6544 -1.3959 -1.3959 -1.3904 -1.3904 -0.9959 -0.9959 -0.9955 -0.9955 -0.8148 -0.8148 -0.7999 -0.7999 -0.5541 -0.5541 -0.5438 -0.5438 0.9541 0.9541 0.9642 0.9642 0.9694 0.9694 0.9702 0.9702 1.2007 1.2007 1.2097 1.2097 8.0926 8.0926 8.0940 8.0940 10.8885 10.8885 10.8905 10.8905 10.9335 10.9335 10.9391 10.9391 k = 0.0000 0.5000-0.0000 ( 6316 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -16.8698 -16.8698 -16.8695 -16.8695 -16.1475 -16.1475 -16.1457 -16.1457 -16.0570 -16.0570 -16.0552 -16.0552 -7.4614 -7.4614 -7.4611 -7.4611 -5.2598 -5.2598 -5.2594 -5.2594 -4.3523 -4.3523 -4.3468 -4.3468 -4.1594 -4.1594 -4.1549 -4.1549 -1.8421 -1.8421 -1.8400 -1.8400 -1.5656 -1.5656 -1.5640 -1.5640 -1.0048 -1.0048 -1.0026 -1.0026 -0.6618 -0.6618 -0.6535 -0.6535 -0.4250 -0.4250 -0.4139 -0.4139 0.3729 0.3729 0.3749 0.3749 0.7446 0.7446 0.7454 0.7454 1.2164 1.2164 1.2174 1.2174 9.0593 9.0593 9.0599 9.0599 10.1219 10.1219 10.1253 10.1253 10.9221 10.9221 10.9272 10.9272 k = 0.0000 0.5000 0.0156 ( 6312 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -16.8699 -16.8699 -16.8696 -16.8696 -16.1474 -16.1474 -16.1457 -16.1457 -16.0570 -16.0570 -16.0553 -16.0553 -7.4615 -7.4615 -7.4612 -7.4612 -5.2592 -5.2592 -5.2588 -5.2588 -4.3524 -4.3524 -4.3468 -4.3468 -4.1598 -4.1598 -4.1553 -4.1553 -1.8426 -1.8426 -1.8406 -1.8406 -1.5649 -1.5649 -1.5633 -1.5633 -1.0052 -1.0052 -1.0029 -1.0029 -0.6617 -0.6617 -0.6533 -0.6533 -0.4252 -0.4252 -0.4141 -0.4141 0.3732 0.3732 0.3753 0.3753 0.7428 0.7428 0.7437 0.7437 1.2181 1.2181 1.2191 1.2191 9.0602 9.0602 9.0608 9.0608 10.1207 10.1207 10.1241 10.1241 10.9207 10.9207 10.9258 10.9258 k = 0.0000 0.5000 0.0312 ( 6304 PWs) bands (ev): -17.9526 -17.9526 -17.9526 -17.9526 -16.8701 -16.8701 -16.8698 -16.8698 -16.1472 -16.1472 -16.1454 -16.1454 -16.0571 -16.0571 -16.0553 -16.0553 -7.4620 -7.4620 -7.4617 -7.4617 -5.2573 -5.2573 -5.2569 -5.2569 -4.3526 -4.3526 -4.3470 -4.3470 -4.1609 -4.1609 -4.1564 -4.1564 -1.8442 -1.8442 -1.8422 -1.8422 -1.5628 -1.5628 -1.5611 -1.5611 -1.0063 -1.0063 -1.0036 -1.0036 -0.6612 -0.6612 -0.6527 -0.6527 -0.4259 -0.4259 -0.4147 -0.4147 0.3743 0.3743 0.3764 0.3764 0.7375 0.7375 0.7388 0.7388 1.2229 1.2229 1.2240 1.2240 9.0628 9.0628 9.0634 9.0634 10.1171 10.1171 10.1206 10.1206 10.9165 10.9165 10.9218 10.9218 k = 0.0000 0.5000 0.0467 ( 6298 PWs) bands (ev): -17.9525 -17.9525 -17.9525 -17.9525 -16.8705 -16.8705 -16.8702 -16.8702 -16.1468 -16.1468 -16.1450 -16.1450 -16.0571 -16.0571 -16.0554 -16.0554 -7.4628 -7.4628 -7.4625 -7.4625 -5.2543 -5.2543 -5.2538 -5.2538 -4.3529 -4.3529 -4.3473 -4.3473 -4.1628 -4.1628 -4.1583 -4.1583 -1.8469 -1.8469 -1.8448 -1.8448 -1.5594 -1.5594 -1.5577 -1.5577 -1.0081 -1.0081 -1.0049 -1.0049 -0.6604 -0.6604 -0.6519 -0.6519 -0.4269 -0.4269 -0.4157 -0.4157 0.3761 0.3761 0.3784 0.3784 0.7291 0.7291 0.7309 0.7309 1.2307 1.2307 1.2318 1.2318 9.0670 9.0670 9.0676 9.0676 10.1110 10.1110 10.1148 10.1148 10.9095 10.9095 10.9152 10.9152 k = 0.0000 0.5000 0.0623 ( 6298 PWs) bands (ev): -17.9524 -17.9524 -17.9524 -17.9524 -16.8710 -16.8710 -16.8708 -16.8708 -16.1463 -16.1463 -16.1445 -16.1445 -16.0573 -16.0572 -16.0555 -16.0555 -7.4638 -7.4638 -7.4635 -7.4635 -5.2501 -5.2501 -5.2495 -5.2495 -4.3533 -4.3533 -4.3477 -4.3477 -4.1654 -4.1654 -4.1609 -4.1609 -1.8505 -1.8505 -1.8485 -1.8485 -1.5546 -1.5546 -1.5529 -1.5529 -1.0105 -1.0105 -1.0068 -1.0068 -0.6593 -0.6593 -0.6507 -0.6507 -0.4283 -0.4283 -0.4171 -0.4171 0.3785 0.3785 0.3810 0.3810 0.7180 0.7180 0.7203 0.7203 1.2410 1.2410 1.2421 1.2421 9.0729 9.0729 9.0736 9.0736 10.1028 10.1028 10.1068 10.1068 10.9000 10.9000 10.9061 10.9061 k = 0.0000 0.5000 0.0779 ( 6312 PWs) bands (ev): -17.9522 -17.9522 -17.9522 -17.9522 -16.8717 -16.8717 -16.8715 -16.8715 -16.1456 -16.1456 -16.1438 -16.1438 -16.0574 -16.0574 -16.0556 -16.0556 -7.4652 -7.4652 -7.4648 -7.4648 -5.2448 -5.2447 -5.2441 -5.2441 -4.3539 -4.3539 -4.3482 -4.3482 -4.1688 -4.1688 -4.1642 -4.1642 -1.8550 -1.8550 -1.8529 -1.8529 -1.5486 -1.5486 -1.5469 -1.5469 -1.0136 -1.0136 -1.0093 -1.0093 -0.6579 -0.6579 -0.6493 -0.6493 -0.4301 -0.4301 -0.4188 -0.4188 0.3816 0.3816 0.3843 0.3843 0.7047 0.7047 0.7074 0.7074 1.2533 1.2533 1.2544 1.2544 9.0804 9.0804 9.0811 9.0811 10.0923 10.0923 10.0967 10.0967 10.8882 10.8882 10.8947 10.8947 k = 0.0000 0.5000 0.0935 ( 6318 PWs) bands (ev): -17.9520 -17.9520 -17.9520 -17.9520 -16.8725 -16.8725 -16.8723 -16.8723 -16.1448 -16.1448 -16.1430 -16.1430 -16.0575 -16.0575 -16.0558 -16.0558 -7.4667 -7.4667 -7.4664 -7.4664 -5.2384 -5.2384 -5.2377 -5.2377 -4.3546 -4.3546 -4.3488 -4.3488 -4.1727 -4.1727 -4.1681 -4.1681 -1.8602 -1.8602 -1.8582 -1.8582 -1.5414 -1.5414 -1.5396 -1.5396 -1.0174 -1.0174 -1.0125 -1.0125 -0.6563 -0.6563 -0.6476 -0.6476 -0.4321 -0.4321 -0.4208 -0.4208 0.3852 0.3852 0.3882 0.3882 0.6898 0.6898 0.6929 0.6929 1.2672 1.2672 1.2683 1.2683 9.0895 9.0895 9.0903 9.0903 10.0800 10.0800 10.0846 10.0846 10.8743 10.8743 10.8813 10.8813 k = 0.0000 0.5000 0.1090 ( 6322 PWs) bands (ev): -17.9517 -17.9517 -17.9517 -17.9517 -16.8734 -16.8734 -16.8732 -16.8732 -16.1438 -16.1438 -16.1421 -16.1421 -16.0577 -16.0577 -16.0560 -16.0560 -7.4685 -7.4685 -7.4682 -7.4682 -5.2311 -5.2311 -5.2304 -5.2304 -4.3553 -4.3553 -4.3495 -4.3495 -4.1772 -4.1772 -4.1726 -4.1726 -1.8661 -1.8661 -1.8641 -1.8641 -1.5330 -1.5330 -1.5313 -1.5313 -1.0217 -1.0217 -1.0163 -1.0163 -0.6546 -0.6546 -0.6458 -0.6458 -0.4343 -0.4343 -0.4230 -0.4230 0.3893 0.3893 0.3926 0.3926 0.6737 0.6737 0.6772 0.6772 1.2822 1.2822 1.2832 1.2832 9.1001 9.1001 9.1009 9.1009 10.0658 10.0658 10.0707 10.0707 10.8588 10.8588 10.8660 10.8660 k = 0.0000 0.5000 0.1246 ( 6326 PWs) bands (ev): -17.9515 -17.9515 -17.9514 -17.9514 -16.8744 -16.8744 -16.8742 -16.8742 -16.1428 -16.1428 -16.1411 -16.1411 -16.0579 -16.0579 -16.0563 -16.0563 -7.4704 -7.4704 -7.4701 -7.4701 -5.2231 -5.2230 -5.2223 -5.2223 -4.3562 -4.3562 -4.3503 -4.3503 -4.1823 -4.1823 -4.1776 -4.1776 -1.8724 -1.8724 -1.8705 -1.8705 -1.5237 -1.5237 -1.5219 -1.5219 -1.0267 -1.0267 -1.0209 -1.0209 -0.6526 -0.6526 -0.6439 -0.6439 -0.4367 -0.4367 -0.4255 -0.4255 0.3938 0.3938 0.3975 0.3975 0.6567 0.6568 0.6608 0.6608 1.2979 1.2979 1.2988 1.2988 9.1121 9.1121 9.1130 9.1130 10.0500 10.0501 10.0551 10.0552 10.8418 10.8418 10.8493 10.8493 k = 0.0000 0.5000 0.1402 ( 6328 PWs) bands (ev): -17.9512 -17.9512 -17.9512 -17.9511 -16.8755 -16.8755 -16.8753 -16.8753 -16.1417 -16.1417 -16.1401 -16.1400 -16.0582 -16.0582 -16.0565 -16.0565 -7.4725 -7.4725 -7.4722 -7.4722 -5.2143 -5.2143 -5.2134 -5.2134 -4.3571 -4.3571 -4.3512 -4.3512 -4.1878 -4.1878 -4.1830 -4.1830 -1.8792 -1.8792 -1.8774 -1.8774 -1.5134 -1.5134 -1.5116 -1.5116 -1.0323 -1.0323 -1.0261 -1.0261 -0.6506 -0.6506 -0.6419 -0.6419 -0.4392 -0.4392 -0.4280 -0.4280 0.3986 0.3986 0.4027 0.4027 0.6394 0.6394 0.6439 0.6439 1.3138 1.3138 1.3147 1.3147 9.1254 9.1254 9.1263 9.1263 10.0329 10.0329 10.0382 10.0382 10.8237 10.8237 10.8314 10.8314 k = 0.0000 0.5000 0.1558 ( 6338 PWs) bands (ev): -17.9509 -17.9508 -17.9508 -17.9508 -16.8766 -16.8766 -16.8764 -16.8764 -16.1406 -16.1406 -16.1389 -16.1389 -16.0584 -16.0584 -16.0568 -16.0568 -7.4747 -7.4747 -7.4744 -7.4744 -5.2049 -5.2049 -5.2041 -5.2041 -4.3581 -4.3581 -4.3522 -4.3522 -4.1936 -4.1936 -4.1888 -4.1888 -1.8861 -1.8861 -1.8844 -1.8844 -1.5024 -1.5024 -1.5004 -1.5004 -1.0385 -1.0385 -1.0321 -1.0321 -0.6485 -0.6485 -0.6399 -0.6399 -0.4417 -0.4417 -0.4307 -0.4307 0.4037 0.4037 0.4082 0.4082 0.6221 0.6221 0.6269 0.6269 1.3298 1.3298 1.3306 1.3306 9.1399 9.1399 9.1409 9.1409 10.0146 10.0146 10.0200 10.0200 10.8050 10.8050 10.8127 10.8127 k = 0.0000 0.5000 0.1714 ( 6334 PWs) bands (ev): -17.9505 -17.9505 -17.9505 -17.9505 -16.8778 -16.8778 -16.8776 -16.8776 -16.1393 -16.1393 -16.1378 -16.1378 -16.0587 -16.0587 -16.0571 -16.0571 -7.4769 -7.4769 -7.4766 -7.4766 -5.1952 -5.1952 -5.1943 -5.1943 -4.3592 -4.3592 -4.3533 -4.3533 -4.1997 -4.1997 -4.1949 -4.1949 -1.8932 -1.8932 -1.8916 -1.8916 -1.4906 -1.4906 -1.4886 -1.4886 -1.0453 -1.0453 -1.0387 -1.0387 -0.6464 -0.6464 -0.6380 -0.6380 -0.4441 -0.4441 -0.4333 -0.4333 0.4089 0.4089 0.4138 0.4138 0.6049 0.6050 0.6102 0.6102 1.3454 1.3454 1.3462 1.3462 9.1555 9.1555 9.1565 9.1565 9.9954 9.9954 10.0008 10.0008 10.7859 10.7859 10.7935 10.7935 k = 0.0000 0.5000 0.1869 ( 6350 PWs) bands (ev): -17.9502 -17.9502 -17.9502 -17.9502 -16.8789 -16.8789 -16.8788 -16.8787 -16.1381 -16.1381 -16.1366 -16.1366 -16.0589 -16.0589 -16.0574 -16.0574 -7.4791 -7.4791 -7.4789 -7.4789 -5.1853 -5.1853 -5.1844 -5.1843 -4.3603 -4.3603 -4.3545 -4.3545 -4.2059 -4.2059 -4.2012 -4.2012 -1.9003 -1.9003 -1.8987 -1.8987 -1.4784 -1.4784 -1.4762 -1.4762 -1.0526 -1.0526 -1.0459 -1.0459 -0.6443 -0.6443 -0.6362 -0.6362 -0.4464 -0.4464 -0.4360 -0.4360 0.4142 0.4142 0.4195 0.4195 0.5883 0.5883 0.5940 0.5940 1.3605 1.3605 1.3612 1.3612 9.1719 9.1719 9.1730 9.1730 9.9755 9.9755 9.9808 9.9809 10.7668 10.7668 10.7742 10.7742 k = 0.0000 0.5000 0.2025 ( 6342 PWs) bands (ev): -17.9499 -17.9499 -17.9499 -17.9499 -16.8801 -16.8801 -16.8799 -16.8799 -16.1369 -16.1369 -16.1354 -16.1354 -16.0592 -16.0592 -16.0578 -16.0578 -7.4813 -7.4813 -7.4811 -7.4811 -5.1753 -5.1753 -5.1743 -5.1743 -4.3614 -4.3614 -4.3557 -4.3557 -4.2121 -4.2121 -4.2075 -4.2075 -1.9071 -1.9071 -1.9058 -1.9058 -1.4657 -1.4657 -1.4635 -1.4635 -1.0604 -1.0604 -1.0537 -1.0537 -0.6423 -0.6423 -0.6345 -0.6345 -0.4485 -0.4485 -0.4385 -0.4385 0.4195 0.4195 0.4253 0.4253 0.5723 0.5723 0.5785 0.5785 1.3749 1.3749 1.3756 1.3756 9.1889 9.1889 9.1901 9.1901 9.9551 9.9551 9.9604 9.9604 10.7480 10.7481 10.7552 10.7552 k = 0.0000 0.5000 0.2181 ( 6330 PWs) bands (ev): -17.9496 -17.9496 -17.9496 -17.9496 -16.8812 -16.8812 -16.8810 -16.8810 -16.1357 -16.1357 -16.1343 -16.1343 -16.0594 -16.0594 -16.0581 -16.0581 -7.4835 -7.4835 -7.4833 -7.4833 -5.1654 -5.1654 -5.1645 -5.1645 -4.3625 -4.3625 -4.3570 -4.3570 -4.2182 -4.2182 -4.2137 -4.2137 -1.9138 -1.9138 -1.9125 -1.9125 -1.4527 -1.4527 -1.4505 -1.4505 -1.0686 -1.0685 -1.0619 -1.0619 -0.6404 -0.6404 -0.6331 -0.6331 -0.4504 -0.4504 -0.4410 -0.4410 0.4247 0.4247 0.4310 0.4310 0.5572 0.5572 0.5638 0.5638 1.3884 1.3884 1.3890 1.3890 9.2064 9.2064 9.2076 9.2076 9.9347 9.9347 9.9398 9.9398 10.7300 10.7300 10.7368 10.7368 k = 0.0000 0.5000 0.2337 ( 6328 PWs) bands (ev): -17.9493 -17.9493 -17.9493 -17.9493 -16.8822 -16.8822 -16.8821 -16.8821 -16.1345 -16.1345 -16.1332 -16.1332 -16.0596 -16.0596 -16.0584 -16.0584 -7.4855 -7.4855 -7.4853 -7.4853 -5.1559 -5.1559 -5.1550 -5.1550 -4.3636 -4.3636 -4.3583 -4.3583 -4.2241 -4.2241 -4.2198 -4.2198 -1.9200 -1.9200 -1.9189 -1.9189 -1.4398 -1.4398 -1.4375 -1.4375 -1.0770 -1.0770 -1.0706 -1.0706 -0.6386 -0.6386 -0.6318 -0.6318 -0.4521 -0.4521 -0.4433 -0.4433 0.4298 0.4298 0.4365 0.4365 0.5430 0.5430 0.5501 0.5501 1.4008 1.4008 1.4013 1.4013 9.2240 9.2240 9.2252 9.2252 9.9145 9.9145 9.9194 9.9194 10.7130 10.7130 10.7193 10.7193 k = 0.0000 0.5000 0.2492 ( 6328 PWs) bands (ev): -17.9490 -17.9490 -17.9490 -17.9490 -16.8832 -16.8832 -16.8831 -16.8831 -16.1334 -16.1334 -16.1323 -16.1323 -16.0599 -16.0599 -16.0588 -16.0587 -7.4874 -7.4874 -7.4872 -7.4872 -5.1468 -5.1468 -5.1460 -5.1460 -4.3646 -4.3646 -4.3596 -4.3596 -4.2296 -4.2296 -4.2255 -4.2255 -1.9258 -1.9258 -1.9247 -1.9247 -1.4270 -1.4270 -1.4247 -1.4247 -1.0855 -1.0855 -1.0794 -1.0794 -0.6369 -0.6369 -0.6308 -0.6307 -0.4534 -0.4534 -0.4455 -0.4455 0.4347 0.4347 0.4419 0.4419 0.5299 0.5299 0.5375 0.5375 1.4120 1.4120 1.4125 1.4125 9.2414 9.2414 9.2426 9.2426 9.8948 9.8948 9.8994 9.8994 10.6973 10.6973 10.7030 10.7030 k = 0.0000 0.5000 0.2648 ( 6324 PWs) bands (ev): -17.9488 -17.9488 -17.9487 -17.9487 -16.8841 -16.8841 -16.8840 -16.8840 -16.1324 -16.1324 -16.1314 -16.1314 -16.0601 -16.0601 -16.0591 -16.0591 -7.4891 -7.4891 -7.4889 -7.4889 -5.1385 -5.1385 -5.1378 -5.1378 -4.3655 -4.3655 -4.3610 -4.3610 -4.2346 -4.2346 -4.2309 -4.2309 -1.9309 -1.9309 -1.9301 -1.9301 -1.4148 -1.4148 -1.4125 -1.4125 -1.0938 -1.0938 -1.0882 -1.0882 -0.6354 -0.6354 -0.6299 -0.6299 -0.4545 -0.4545 -0.4475 -0.4474 0.4394 0.4394 0.4470 0.4470 0.5181 0.5181 0.5261 0.5261 1.4219 1.4219 1.4223 1.4223 9.2582 9.2582 9.2593 9.2593 9.8762 9.8762 9.8803 9.8804 10.6832 10.6832 10.6882 10.6883 k = 0.0000 0.5000 0.2804 ( 6336 PWs) bands (ev): -17.9485 -17.9485 -17.9485 -17.9485 -16.8849 -16.8849 -16.8848 -16.8848 -16.1315 -16.1315 -16.1306 -16.1306 -16.0602 -16.0602 -16.0594 -16.0594 -7.4906 -7.4906 -7.4904 -7.4904 -5.1311 -5.1311 -5.1305 -5.1305 -4.3663 -4.3663 -4.3623 -4.3623 -4.2390 -4.2390 -4.2357 -4.2357 -1.9354 -1.9354 -1.9347 -1.9347 -1.4033 -1.4033 -1.4011 -1.4011 -1.1017 -1.1017 -1.0967 -1.0967 -0.6340 -0.6340 -0.6294 -0.6294 -0.4553 -0.4553 -0.4492 -0.4492 0.4439 0.4439 0.4519 0.4519 0.5074 0.5074 0.5158 0.5158 1.4305 1.4305 1.4308 1.4308 9.2738 9.2738 9.2749 9.2749 9.8591 9.8591 9.8627 9.8627 10.6709 10.6709 10.6752 10.6752 k = 0.0000 0.5000 0.2960 ( 6332 PWs) bands (ev): -17.9483 -17.9483 -17.9483 -17.9483 -16.8855 -16.8855 -16.8855 -16.8855 -16.1307 -16.1307 -16.1300 -16.1300 -16.0603 -16.0603 -16.0596 -16.0596 -7.4918 -7.4918 -7.4917 -7.4917 -5.1248 -5.1248 -5.1242 -5.1242 -4.3669 -4.3669 -4.3636 -4.3636 -4.2426 -4.2426 -4.2398 -4.2398 -1.9392 -1.9392 -1.9386 -1.9386 -1.3929 -1.3929 -1.3910 -1.3910 -1.1089 -1.1089 -1.1046 -1.1046 -0.6328 -0.6328 -0.6290 -0.6290 -0.4558 -0.4558 -0.4508 -0.4508 0.4482 0.4482 0.4565 0.4565 0.4981 0.4981 0.5067 0.5067 1.4376 1.4376 1.4378 1.4378 9.2878 9.2878 9.2888 9.2888 9.8440 9.8440 9.8470 9.8471 10.6606 10.6606 10.6642 10.6642 k = 0.0000 0.5000 0.3115 ( 6340 PWs) bands (ev): -17.9482 -17.9482 -17.9482 -17.9482 -16.8861 -16.8861 -16.8860 -16.8860 -16.1300 -16.1300 -16.1295 -16.1295 -16.0604 -16.0604 -16.0599 -16.0599 -7.4928 -7.4928 -7.4927 -7.4927 -5.1197 -5.1196 -5.1192 -5.1192 -4.3674 -4.3673 -4.3647 -4.3647 -4.2454 -4.2454 -4.2433 -4.2433 -1.9422 -1.9422 -1.9417 -1.9417 -1.3842 -1.3842 -1.3825 -1.3825 -1.1149 -1.1149 -1.1115 -1.1115 -0.6318 -0.6318 -0.6289 -0.6289 -0.4560 -0.4560 -0.4522 -0.4522 0.4524 0.4524 0.4607 0.4607 0.4903 0.4903 0.4988 0.4988 1.4432 1.4432 1.4434 1.4434 9.2996 9.2996 9.3004 9.3004 9.8315 9.8315 9.8339 9.8339 10.6526 10.6526 10.6553 10.6553 k = 0.0000 0.5000 0.3271 ( 6348 PWs) bands (ev): -17.9481 -17.9481 -17.9481 -17.9481 -16.8864 -16.8864 -16.8864 -16.8864 -16.1295 -16.1295 -16.1291 -16.1291 -16.0604 -16.0604 -16.0601 -16.0601 -7.4935 -7.4935 -7.4935 -7.4935 -5.1159 -5.1159 -5.1156 -5.1156 -4.3675 -4.3675 -4.3657 -4.3657 -4.2474 -4.2474 -4.2459 -4.2459 -1.9443 -1.9443 -1.9440 -1.9440 -1.3774 -1.3774 -1.3762 -1.3762 -1.1194 -1.1194 -1.1171 -1.1171 -0.6309 -0.6309 -0.6289 -0.6289 -0.4560 -0.4560 -0.4534 -0.4534 0.4565 0.4565 0.4642 0.4642 0.4842 0.4842 0.4920 0.4920 1.4472 1.4472 1.4473 1.4473 9.3086 9.3086 9.3091 9.3091 9.8222 9.8222 9.8238 9.8239 10.6469 10.6469 10.6487 10.6487 k = 0.0000 0.5000 0.3427 ( 6346 PWs) bands (ev): -17.9480 -17.9480 -17.9480 -17.9480 -16.8867 -16.8867 -16.8866 -16.8866 -16.1292 -16.1292 -16.1290 -16.1290 -16.0604 -16.0604 -16.0602 -16.0602 -7.4940 -7.4940 -7.4939 -7.4939 -5.1135 -5.1135 -5.1134 -5.1134 -4.3675 -4.3675 -4.3665 -4.3665 -4.2484 -4.2484 -4.2476 -4.2476 -1.9456 -1.9456 -1.9454 -1.9454 -1.3730 -1.3730 -1.3724 -1.3724 -1.1220 -1.1220 -1.1208 -1.1208 -0.6301 -0.6301 -0.6292 -0.6292 -0.4557 -0.4557 -0.4544 -0.4544 0.4605 0.4605 0.4657 0.4657 0.4812 0.4812 0.4864 0.4864 1.4496 1.4496 1.4497 1.4497 9.3143 9.3143 9.3146 9.3146 9.8166 9.8166 9.8174 9.8174 10.6436 10.6436 10.6445 10.6445 k = 0.0000 0.5000 0.3583 ( 6352 PWs) bands (ev): -17.9480 -17.9480 -17.9480 -17.9480 -16.8867 -16.8867 -16.8867 -16.8867 -16.1290 -16.1290 -16.1290 -16.1290 -16.0604 -16.0604 -16.0604 -16.0604 -7.4941 -7.4941 -7.4941 -7.4941 -5.1127 -5.1127 -5.1127 -5.1127 -4.3671 -4.3671 -4.3671 -4.3671 -4.2485 -4.2485 -4.2485 -4.2485 -1.9460 -1.9460 -1.9460 -1.9460 -1.3713 -1.3713 -1.3713 -1.3713 -1.1225 -1.1225 -1.1225 -1.1225 -0.6296 -0.6296 -0.6296 -0.6296 -0.4552 -0.4552 -0.4551 -0.4551 0.4640 0.4640 0.4640 0.4640 0.4823 0.4823 0.4823 0.4823 1.4505 1.4505 1.4505 1.4505 9.3163 9.3163 9.3163 9.3163 9.8149 9.8149 9.8149 9.8149 10.6428 10.6428 10.6428 10.6428 k = 0.5000 0.5000-0.0000 ( 6404 PWs) bands (ev): -17.4422 -17.4422 -17.4422 -17.4422 -17.4269 -17.4269 -17.4269 -17.4269 -16.1483 -16.1483 -16.1483 -16.1483 -16.1204 -16.1204 -16.1204 -16.1204 -6.4001 -6.4001 -6.4001 -6.4001 -6.2606 -6.2606 -6.2606 -6.2606 -4.0865 -4.0865 -4.0865 -4.0865 -3.9093 -3.9093 -3.9093 -3.9093 -1.8039 -1.8039 -1.8039 -1.8039 -1.6096 -1.6096 -1.6096 -1.6096 -1.2724 -1.2724 -1.2724 -1.2724 -1.0582 -1.0582 -1.0582 -1.0582 -0.0709 -0.0709 -0.0709 -0.0709 0.0145 0.0145 0.0145 0.0145 0.7920 0.7920 0.7920 0.7920 0.8588 0.8588 0.8588 0.8588 9.8145 9.8145 9.8145 9.8145 10.2381 10.2381 10.2381 10.2381 11.5237 11.5237 11.5237 11.5237 k = 0.5000 0.5000 0.0156 ( 6404 PWs) bands (ev): -17.4422 -17.4422 -17.4421 -17.4421 -17.4269 -17.4269 -17.4268 -17.4268 -16.1484 -16.1484 -16.1482 -16.1482 -16.1205 -16.1205 -16.1204 -16.1204 -6.4001 -6.4001 -6.3998 -6.3998 -6.2608 -6.2608 -6.2605 -6.2605 -4.0866 -4.0866 -4.0864 -4.0864 -3.9098 -3.9098 -3.9097 -3.9097 -1.8044 -1.8044 -1.8036 -1.8036 -1.6119 -1.6119 -1.6099 -1.6099 -1.2716 -1.2716 -1.2697 -1.2697 -1.0582 -1.0582 -1.0573 -1.0573 -0.0709 -0.0709 -0.0708 -0.0708 0.0145 0.0145 0.0146 0.0146 0.7915 0.7915 0.7919 0.7919 0.8582 0.8582 0.8586 0.8586 9.8153 9.8153 9.8154 9.8154 10.2384 10.2384 10.2385 10.2385 11.5230 11.5230 11.5234 11.5234 k = 0.5000 0.5000 0.0312 ( 6384 PWs) bands (ev): -17.4422 -17.4422 -17.4420 -17.4420 -17.4270 -17.4270 -17.4268 -17.4268 -16.1484 -16.1484 -16.1480 -16.1480 -16.1207 -16.1207 -16.1204 -16.1204 -6.3995 -6.3995 -6.3989 -6.3989 -6.2612 -6.2612 -6.2605 -6.2605 -4.0866 -4.0866 -4.0863 -4.0863 -3.9109 -3.9109 -3.9108 -3.9108 -1.8052 -1.8052 -1.8035 -1.8035 -1.6167 -1.6167 -1.6129 -1.6129 -1.2673 -1.2673 -1.2636 -1.2636 -1.0573 -1.0573 -1.0557 -1.0557 -0.0708 -0.0708 -0.0706 -0.0706 0.0145 0.0145 0.0147 0.0148 0.7904 0.7904 0.7911 0.7911 0.8570 0.8570 0.8578 0.8578 9.8179 9.8179 9.8182 9.8182 10.2395 10.2395 10.2396 10.2396 11.5215 11.5215 11.5223 11.5223 k = 0.5000 0.5000 0.0467 ( 6368 PWs) bands (ev): -17.4422 -17.4422 -17.4418 -17.4418 -17.4272 -17.4272 -17.4268 -17.4268 -16.1483 -16.1483 -16.1478 -16.1478 -16.1210 -16.1210 -16.1205 -16.1205 -6.3986 -6.3986 -6.3976 -6.3976 -6.2618 -6.2618 -6.2608 -6.2608 -4.0866 -4.0865 -4.0861 -4.0861 -3.9129 -3.9129 -3.9126 -3.9126 -1.8062 -1.8062 -1.8037 -1.8037 -1.6236 -1.6236 -1.6182 -1.6182 -1.2599 -1.2599 -1.2546 -1.2546 -1.0556 -1.0556 -1.0532 -1.0532 -0.0707 -0.0707 -0.0703 -0.0703 0.0147 0.0147 0.0150 0.0150 0.7886 0.7886 0.7897 0.7897 0.8551 0.8551 0.8563 0.8563 9.8222 9.8222 9.8226 9.8226 10.2411 10.2411 10.2414 10.2414 11.5191 11.5191 11.5204 11.5204 k = 0.5000 0.5000 0.0623 ( 6368 PWs) bands (ev): -17.4421 -17.4421 -17.4416 -17.4416 -17.4273 -17.4273 -17.4269 -17.4269 -16.1482 -16.1482 -16.1475 -16.1475 -16.1213 -16.1213 -16.1207 -16.1207 -6.3971 -6.3971 -6.3959 -6.3959 -6.2626 -6.2626 -6.2612 -6.2612 -4.0865 -4.0865 -4.0859 -4.0859 -3.9155 -3.9155 -3.9152 -3.9152 -1.8074 -1.8074 -1.8041 -1.8041 -1.6323 -1.6323 -1.6255 -1.6255 -1.2496 -1.2496 -1.2430 -1.2430 -1.0531 -1.0531 -1.0499 -1.0499 -0.0704 -0.0704 -0.0698 -0.0698 0.0149 0.0149 0.0153 0.0153 0.7863 0.7863 0.7877 0.7877 0.8525 0.8525 0.8541 0.8541 9.8282 9.8282 9.8287 9.8287 10.2434 10.2434 10.2437 10.2437 11.5160 11.5160 11.5177 11.5177 k = 0.5000 0.5000 0.0779 ( 6368 PWs) bands (ev): -17.4419 -17.4419 -17.4414 -17.4414 -17.4275 -17.4275 -17.4269 -17.4269 -16.1480 -16.1480 -16.1472 -16.1472 -16.1217 -16.1217 -16.1209 -16.1209 -6.3953 -6.3953 -6.3937 -6.3937 -6.2636 -6.2636 -6.2618 -6.2618 -4.0863 -4.0863 -4.0855 -4.0855 -3.9189 -3.9189 -3.9184 -3.9184 -1.8087 -1.8087 -1.8046 -1.8046 -1.6424 -1.6424 -1.6344 -1.6344 -1.2371 -1.2371 -1.2293 -1.2293 -1.0499 -1.0499 -1.0459 -1.0459 -0.0700 -0.0700 -0.0693 -0.0693 0.0151 0.0151 0.0157 0.0157 0.7834 0.7834 0.7852 0.7852 0.8493 0.8493 0.8512 0.8512 9.8359 9.8359 9.8365 9.8366 10.2461 10.2461 10.2465 10.2465 11.5122 11.5122 11.5144 11.5144 k = 0.5000 0.5000 0.0935 ( 6376 PWs) bands (ev): -17.4418 -17.4418 -17.4411 -17.4411 -17.4277 -17.4277 -17.4271 -17.4271 -16.1478 -16.1478 -16.1468 -16.1468 -16.1222 -16.1222 -16.1213 -16.1213 -6.3930 -6.3930 -6.3911 -6.3911 -6.2647 -6.2647 -6.2626 -6.2626 -4.0860 -4.0860 -4.0851 -4.0851 -3.9229 -3.9229 -3.9224 -3.9224 -1.8101 -1.8101 -1.8053 -1.8053 -1.6535 -1.6535 -1.6444 -1.6444 -1.2227 -1.2227 -1.2139 -1.2139 -1.0461 -1.0461 -1.0414 -1.0414 -0.0695 -0.0695 -0.0687 -0.0687 0.0153 0.0153 0.0160 0.0160 0.7801 0.7801 0.7822 0.7822 0.8455 0.8455 0.8477 0.8477 9.8453 9.8453 9.8460 9.8460 10.2492 10.2492 10.2497 10.2497 11.5080 11.5080 11.5107 11.5107 k = 0.5000 0.5000 0.1090 ( 6376 PWs) bands (ev): -17.4416 -17.4416 -17.4408 -17.4408 -17.4280 -17.4280 -17.4272 -17.4272 -16.1475 -16.1475 -16.1464 -16.1464 -16.1228 -16.1227 -16.1217 -16.1216 -6.3903 -6.3903 -6.3882 -6.3882 -6.2660 -6.2660 -6.2636 -6.2636 -4.0856 -4.0856 -4.0846 -4.0846 -3.9276 -3.9276 -3.9269 -3.9269 -1.8117 -1.8117 -1.8061 -1.8061 -1.6651 -1.6651 -1.6553 -1.6553 -1.2069 -1.2069 -1.1974 -1.1974 -1.0417 -1.0417 -1.0363 -1.0363 -0.0688 -0.0688 -0.0679 -0.0678 0.0155 0.0155 0.0163 0.0163 0.7764 0.7764 0.7789 0.7789 0.8411 0.8411 0.8437 0.8437 9.8562 9.8562 9.8570 9.8570 10.2524 10.2524 10.2530 10.2530 11.5036 11.5036 11.5068 11.5068 k = 0.5000 0.5000 0.1246 ( 6352 PWs) bands (ev): -17.4413 -17.4413 -17.4405 -17.4405 -17.4282 -17.4282 -17.4274 -17.4274 -16.1472 -16.1472 -16.1459 -16.1459 -16.1234 -16.1233 -16.1221 -16.1221 -6.3873 -6.3873 -6.3848 -6.3848 -6.2675 -6.2675 -6.2648 -6.2648 -4.0850 -4.0850 -4.0839 -4.0839 -3.9328 -3.9328 -3.9321 -3.9321 -1.8132 -1.8132 -1.8070 -1.8070 -1.6770 -1.6770 -1.6666 -1.6666 -1.1902 -1.1902 -1.1801 -1.1801 -1.0368 -1.0368 -1.0307 -1.0307 -0.0679 -0.0679 -0.0668 -0.0668 0.0156 0.0156 0.0165 0.0165 0.7724 0.7724 0.7753 0.7753 0.8362 0.8362 0.8392 0.8392 9.8687 9.8687 9.8696 9.8696 10.2556 10.2556 10.2563 10.2563 11.4993 11.4993 11.5029 11.5029 k = 0.5000 0.5000 0.1402 ( 6352 PWs) bands (ev): -17.4410 -17.4410 -17.4401 -17.4401 -17.4285 -17.4285 -17.4276 -17.4276 -16.1468 -16.1468 -16.1454 -16.1454 -16.1240 -16.1240 -16.1226 -16.1226 -6.3839 -6.3839 -6.3811 -6.3811 -6.2692 -6.2692 -6.2662 -6.2662 -4.0842 -4.0842 -4.0830 -4.0830 -3.9386 -3.9386 -3.9377 -3.9377 -1.8147 -1.8147 -1.8079 -1.8079 -1.6890 -1.6890 -1.6781 -1.6781 -1.1728 -1.1728 -1.1622 -1.1622 -1.0316 -1.0316 -1.0249 -1.0249 -0.0667 -0.0667 -0.0656 -0.0656 0.0155 0.0155 0.0165 0.0165 0.7682 0.7682 0.7714 0.7714 0.8308 0.8308 0.8341 0.8341 9.8826 9.8826 9.8836 9.8836 10.2586 10.2586 10.2593 10.2593 11.4953 11.4953 11.4994 11.4995 k = 0.5000 0.5000 0.1558 ( 6344 PWs) bands (ev): -17.4407 -17.4407 -17.4397 -17.4397 -17.4288 -17.4288 -17.4278 -17.4278 -16.1464 -16.1464 -16.1449 -16.1448 -16.1247 -16.1247 -16.1232 -16.1232 -6.3802 -6.3802 -6.3771 -6.3771 -6.2712 -6.2712 -6.2679 -6.2678 -4.0832 -4.0832 -4.0819 -4.0819 -3.9448 -3.9448 -3.9438 -3.9438 -1.8162 -1.8162 -1.8088 -1.8088 -1.7009 -1.7009 -1.6896 -1.6895 -1.1552 -1.1552 -1.1443 -1.1442 -1.0261 -1.0261 -1.0189 -1.0189 -0.0654 -0.0654 -0.0641 -0.0641 0.0152 0.0152 0.0164 0.0164 0.7640 0.7640 0.7675 0.7675 0.8251 0.8251 0.8287 0.8287 9.8979 9.8979 9.8989 9.8989 10.2611 10.2611 10.2618 10.2618 11.4921 11.4921 11.4967 11.4967 k = 0.5000 0.5000 0.1714 ( 6360 PWs) bands (ev): -17.4404 -17.4404 -17.4393 -17.4393 -17.4292 -17.4292 -17.4281 -17.4281 -16.1459 -16.1459 -16.1442 -16.1442 -16.1255 -16.1255 -16.1239 -16.1239 -6.3761 -6.3761 -6.3729 -6.3728 -6.2733 -6.2733 -6.2697 -6.2697 -4.0820 -4.0820 -4.0805 -4.0805 -3.9514 -3.9514 -3.9503 -3.9503 -1.8175 -1.8175 -1.8095 -1.8095 -1.7125 -1.7125 -1.7008 -1.7008 -1.1376 -1.1376 -1.1264 -1.1264 -1.0206 -1.0206 -1.0128 -1.0128 -0.0637 -0.0637 -0.0624 -0.0624 0.0147 0.0147 0.0160 0.0160 0.7598 0.7598 0.7636 0.7636 0.8189 0.8189 0.8228 0.8228 9.9145 9.9145 9.9155 9.9155 10.2628 10.2628 10.2636 10.2636 11.4900 11.4900 11.4951 11.4951 k = 0.5000 0.5000 0.1869 ( 6364 PWs) bands (ev): -17.4400 -17.4400 -17.4388 -17.4388 -17.4296 -17.4296 -17.4283 -17.4283 -16.1454 -16.1454 -16.1436 -16.1436 -16.1263 -16.1263 -16.1246 -16.1246 -6.3718 -6.3718 -6.3683 -6.3683 -6.2757 -6.2757 -6.2719 -6.2719 -4.0805 -4.0805 -4.0789 -4.0789 -3.9583 -3.9583 -3.9572 -3.9572 -1.8187 -1.8187 -1.8102 -1.8102 -1.7237 -1.7237 -1.7118 -1.7118 -1.1203 -1.1203 -1.1088 -1.1088 -1.0151 -1.0151 -1.0068 -1.0068 -0.0618 -0.0618 -0.0604 -0.0604 0.0138 0.0138 0.0152 0.0152 0.7557 0.7557 0.7599 0.7599 0.8125 0.8125 0.8167 0.8167 9.9322 9.9322 9.9332 9.9332 10.2635 10.2635 10.2643 10.2643 11.4896 11.4896 11.4950 11.4950 k = 0.5000 0.5000 0.2025 ( 6364 PWs) bands (ev): -17.4396 -17.4396 -17.4384 -17.4384 -17.4299 -17.4299 -17.4287 -17.4287 -16.1448 -16.1448 -16.1429 -16.1429 -16.1272 -16.1272 -16.1253 -16.1253 -6.3673 -6.3673 -6.3636 -6.3636 -6.2783 -6.2783 -6.2743 -6.2743 -4.0786 -4.0786 -4.0769 -4.0769 -3.9655 -3.9655 -3.9643 -3.9643 -1.8196 -1.8196 -1.8106 -1.8106 -1.7345 -1.7345 -1.7224 -1.7224 -1.1035 -1.1035 -1.0918 -1.0918 -1.0097 -1.0097 -1.0009 -1.0009 -0.0596 -0.0596 -0.0580 -0.0580 0.0126 0.0126 0.0142 0.0142 0.7519 0.7519 0.7564 0.7564 0.8059 0.8059 0.8104 0.8104 9.9509 9.9509 9.9520 9.9520 10.2630 10.2630 10.2638 10.2638 11.4911 11.4911 11.4970 11.4970 k = 0.5000 0.5000 0.2181 ( 6372 PWs) bands (ev): -17.4392 -17.4392 -17.4379 -17.4379 -17.4304 -17.4303 -17.4290 -17.4290 -16.1442 -16.1441 -16.1422 -16.1422 -16.1280 -16.1280 -16.1261 -16.1261 -6.3626 -6.3626 -6.3586 -6.3586 -6.2812 -6.2812 -6.2769 -6.2769 -4.0764 -4.0764 -4.0746 -4.0746 -3.9730 -3.9730 -3.9716 -3.9716 -1.8203 -1.8203 -1.8109 -1.8109 -1.7447 -1.7446 -1.7324 -1.7324 -1.0874 -1.0874 -1.0755 -1.0755 -1.0047 -1.0047 -0.9955 -0.9955 -0.0570 -0.0570 -0.0553 -0.0553 0.0111 0.0111 0.0127 0.0127 0.7485 0.7485 0.7532 0.7532 0.7992 0.7992 0.8039 0.8039 9.9706 9.9706 9.9716 9.9716 10.2609 10.2609 10.2618 10.2618 11.4951 11.4951 11.5013 11.5013 k = 0.5000 0.5000 0.2337 ( 6360 PWs) bands (ev): -17.4387 -17.4387 -17.4374 -17.4374 -17.4308 -17.4308 -17.4294 -17.4294 -16.1435 -16.1435 -16.1414 -16.1414 -16.1290 -16.1290 -16.1269 -16.1269 -6.3577 -6.3577 -6.3535 -6.3535 -6.2843 -6.2843 -6.2798 -6.2798 -4.0738 -4.0738 -4.0719 -4.0719 -3.9805 -3.9805 -3.9791 -3.9791 -1.8206 -1.8206 -1.8108 -1.8108 -1.7542 -1.7542 -1.7419 -1.7419 -1.0721 -1.0721 -1.0602 -1.0601 -1.0001 -1.0001 -0.9905 -0.9905 -0.0540 -0.0540 -0.0523 -0.0523 0.0091 0.0091 0.0108 0.0108 0.7456 0.7456 0.7506 0.7506 0.7924 0.7924 0.7974 0.7974 9.9910 9.9910 9.9920 9.9920 10.2572 10.2572 10.2581 10.2581 11.5019 11.5019 11.5084 11.5084 k = 0.5000 0.5000 0.2492 ( 6360 PWs) bands (ev): -17.4383 -17.4383 -17.4368 -17.4368 -17.4312 -17.4312 -17.4298 -17.4298 -16.1428 -16.1427 -16.1406 -16.1406 -16.1299 -16.1299 -16.1278 -16.1278 -6.3527 -6.3527 -6.3484 -6.3484 -6.2876 -6.2876 -6.2830 -6.2830 -4.0708 -4.0707 -4.0689 -4.0689 -3.9881 -3.9881 -3.9866 -3.9866 -1.8206 -1.8206 -1.8104 -1.8104 -1.7632 -1.7632 -1.7508 -1.7508 -1.0579 -1.0579 -1.0458 -1.0458 -0.9961 -0.9961 -0.9861 -0.9861 -0.0507 -0.0507 -0.0489 -0.0489 0.0066 0.0067 0.0085 0.0085 0.7433 0.7433 0.7485 0.7485 0.7857 0.7857 0.7909 0.7910 10.0121 10.0121 10.0130 10.0130 10.2516 10.2516 10.2524 10.2524 11.5118 11.5118 11.5187 11.5187 k = 0.5000 0.5000 0.2648 ( 6352 PWs) bands (ev): -17.4378 -17.4378 -17.4363 -17.4363 -17.4317 -17.4317 -17.4302 -17.4302 -16.1420 -16.1420 -16.1398 -16.1398 -16.1309 -16.1308 -16.1286 -16.1286 -6.3476 -6.3476 -6.3431 -6.3431 -6.2912 -6.2912 -6.2864 -6.2864 -4.0673 -4.0673 -4.0654 -4.0654 -3.9957 -3.9957 -3.9941 -3.9941 -1.8201 -1.8201 -1.8097 -1.8097 -1.7714 -1.7714 -1.7590 -1.7590 -1.0448 -1.0448 -1.0327 -1.0327 -0.9928 -0.9928 -0.9825 -0.9825 -0.0471 -0.0471 -0.0452 -0.0452 0.0038 0.0038 0.0057 0.0057 0.7416 0.7416 0.7471 0.7471 0.7792 0.7792 0.7846 0.7846 10.0335 10.0335 10.0344 10.0344 10.2441 10.2441 10.2448 10.2448 11.5253 11.5253 11.5324 11.5324 k = 0.5000 0.5000 0.2804 ( 6348 PWs) bands (ev): -17.4373 -17.4373 -17.4358 -17.4358 -17.4322 -17.4322 -17.4306 -17.4306 -16.1412 -16.1412 -16.1389 -16.1389 -16.1318 -16.1318 -16.1296 -16.1296 -6.3425 -6.3425 -6.3378 -6.3378 -6.2950 -6.2950 -6.2901 -6.2901 -4.0635 -4.0635 -4.0615 -4.0615 -4.0032 -4.0032 -4.0015 -4.0015 -1.8193 -1.8193 -1.8085 -1.8085 -1.7791 -1.7790 -1.7666 -1.7666 -1.0330 -1.0330 -1.0209 -1.0209 -0.9903 -0.9903 -0.9797 -0.9797 -0.0432 -0.0432 -0.0412 -0.0412 0.0005 0.0005 0.0025 0.0026 0.7407 0.7407 0.7463 0.7463 0.7729 0.7729 0.7785 0.7785 10.0552 10.0552 10.0560 10.0560 10.2346 10.2346 10.2352 10.2352 11.5424 11.5424 11.5497 11.5497 k = 0.5000 0.5000 0.2960 ( 6336 PWs) bands (ev): -17.4368 -17.4368 -17.4352 -17.4352 -17.4327 -17.4326 -17.4311 -17.4311 -16.1403 -16.1403 -16.1380 -16.1380 -16.1328 -16.1328 -16.1305 -16.1305 -6.3373 -6.3373 -6.3325 -6.3325 -6.2990 -6.2990 -6.2941 -6.2941 -4.0592 -4.0592 -4.0572 -4.0572 -4.0106 -4.0106 -4.0088 -4.0088 -1.8179 -1.8179 -1.8069 -1.8069 -1.7860 -1.7860 -1.7736 -1.7735 -1.0225 -1.0225 -1.0104 -1.0104 -0.9888 -0.9888 -0.9780 -0.9780 -0.0390 -0.0390 -0.0370 -0.0370 -0.0031 -0.0031 -0.0010 -0.0010 0.7406 0.7406 0.7463 0.7463 0.7669 0.7669 0.7726 0.7727 10.0769 10.0769 10.0776 10.0776 10.2231 10.2231 10.2236 10.2236 11.5634 11.5634 11.5708 11.5708 k = 0.5000 0.5000 0.3115 ( 6340 PWs) bands (ev): -17.4363 -17.4363 -17.4347 -17.4347 -17.4332 -17.4331 -17.4315 -17.4315 -16.1395 -16.1395 -16.1371 -16.1371 -16.1338 -16.1338 -16.1314 -16.1314 -6.3321 -6.3321 -6.3272 -6.3272 -6.3033 -6.3033 -6.2982 -6.2982 -4.0544 -4.0544 -4.0525 -4.0525 -4.0178 -4.0178 -4.0160 -4.0160 -1.8160 -1.8160 -1.8048 -1.8048 -1.7922 -1.7922 -1.7798 -1.7798 -1.0134 -1.0134 -1.0014 -1.0013 -0.9884 -0.9884 -0.9773 -0.9773 -0.0346 -0.0345 -0.0325 -0.0325 -0.0071 -0.0071 -0.0050 -0.0050 0.7412 0.7412 0.7471 0.7471 0.7613 0.7613 0.7672 0.7672 10.0984 10.0984 10.0990 10.0990 10.2097 10.2097 10.2101 10.2101 11.5882 11.5882 11.5957 11.5957 k = 0.5000 0.5000 0.3271 ( 6332 PWs) bands (ev): -17.4358 -17.4357 -17.4341 -17.4341 -17.4337 -17.4337 -17.4320 -17.4320 -16.1386 -16.1386 -16.1362 -16.1362 -16.1348 -16.1348 -16.1324 -16.1324 -6.3270 -6.3270 -6.3221 -6.3221 -6.3077 -6.3077 -6.3026 -6.3026 -4.0493 -4.0493 -4.0473 -4.0473 -4.0247 -4.0247 -4.0229 -4.0229 -1.8136 -1.8136 -1.8022 -1.8022 -1.7978 -1.7978 -1.7854 -1.7854 -1.0058 -1.0058 -0.9938 -0.9938 -0.9891 -0.9891 -0.9779 -0.9779 -0.0300 -0.0300 -0.0278 -0.0278 -0.0114 -0.0114 -0.0093 -0.0093 0.7427 0.7427 0.7487 0.7487 0.7563 0.7563 0.7623 0.7623 10.1195 10.1195 10.1200 10.1200 10.1945 10.1945 10.1948 10.1948 11.6168 11.6168 11.6244 11.6244 k = 0.5000 0.5000 0.3427 ( 6328 PWs) bands (ev): -17.4352 -17.4352 -17.4342 -17.4342 -17.4336 -17.4336 -17.4325 -17.4325 -16.1376 -16.1376 -16.1357 -16.1357 -16.1352 -16.1352 -16.1333 -16.1333 -6.3220 -6.3220 -6.3170 -6.3170 -6.3123 -6.3123 -6.3072 -6.3072 -4.0437 -4.0437 -4.0417 -4.0417 -4.0314 -4.0314 -4.0295 -4.0295 -1.8105 -1.8105 -1.8027 -1.8027 -1.7991 -1.7991 -1.7902 -1.7902 -0.9997 -0.9997 -0.9910 -0.9910 -0.9876 -0.9876 -0.9798 -0.9797 -0.0253 -0.0253 -0.0231 -0.0231 -0.0159 -0.0159 -0.0138 -0.0137 0.7450 0.7450 0.7510 0.7510 0.7519 0.7519 0.7579 0.7579 10.1398 10.1398 10.1402 10.1402 10.1777 10.1777 10.1779 10.1779 11.6492 11.6492 11.6569 11.6569 k = 0.5000 0.5000 0.3583 ( 6320 PWs) bands (ev): -17.4348 -17.4348 -17.4346 -17.4346 -17.4331 -17.4331 -17.4331 -17.4331 -16.1367 -16.1367 -16.1367 -16.1367 -16.1343 -16.1343 -16.1342 -16.1342 -6.3172 -6.3172 -6.3169 -6.3169 -6.3120 -6.3120 -6.3120 -6.3120 -4.0377 -4.0377 -4.0377 -4.0377 -4.0361 -4.0361 -4.0355 -4.0355 -1.8069 -1.8069 -1.8069 -1.8069 -1.7967 -1.7967 -1.7932 -1.7932 -0.9962 -0.9962 -0.9931 -0.9931 -0.9830 -0.9830 -0.9830 -0.9830 -0.0208 -0.0208 -0.0203 -0.0203 -0.0184 -0.0184 -0.0184 -0.0184 0.7481 0.7481 0.7481 0.7481 0.7538 0.7538 0.7544 0.7544 10.1568 10.1568 10.1596 10.1596 10.1596 10.1596 10.1621 10.1621 11.6850 11.6851 11.6858 11.6867 Writing output data file SiO2.save init_run : 2.22s CPU 10.97s WALL ( 1 calls) electrons : 1912.87s CPU 1929.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1912.84s CPU 1928.94s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.20s CPU 0.45s WALL ( 1 calls) newd : 0.31s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 296 calls) cegterg : 1846.66s CPU 1859.95s WALL ( 903 calls) Called by sum_band: Called by *egterg: h_psi : 663.23s CPU 674.43s WALL ( 16994 calls) s_psi : 49.14s CPU 49.63s WALL ( 16994 calls) g_psi : 1.80s CPU 1.82s WALL ( 15795 calls) cdiaghg : 868.82s CPU 865.71s WALL ( 16091 calls) cegterg:over : 149.10s CPU 145.26s WALL ( 15795 calls) cegterg:upda : 53.19s CPU 57.48s WALL ( 15795 calls) cegterg:last : 34.02s CPU 34.71s WALL ( 2141 calls) Called by h_psi: h_psi:vloc : 536.84s CPU 545.48s WALL ( 16994 calls) h_psi:vnl : 125.56s CPU 127.20s WALL ( 16994 calls) add_vuspsi : 39.43s CPU 44.69s WALL ( 16994 calls) General routines calbec : 86.07s CPU 82.32s WALL ( 16994 calls) fft : 0.31s CPU 1.29s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 513.34s CPU 519.01s WALL ( 2054156 calls) interpolate : 0.01s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 3.56s WALL ( 592 calls) Parallel routines fft_scatter : 302.43s CPU 302.69s WALL ( 2054179 calls) PWSCF : 33m11.59s CPU 36m 4.16s WALL This run was terminated on: 22:27:54 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=