Program PWSCF v.5.1.1 starts on 22Nov2015 at 6: 2:30 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: ./Si2N2O.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 46 27 7 1632 711 111 Max 47 28 8 1637 732 116 Sum 2249 1307 379 78509 34781 5459 bravais-lattice index = 14 lattice parameter (alat) = 9.8692 a.u. unit-cell volume = 796.3430 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 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)= 9.869218 celldm(2)= 1.000000 celldm(3)= 0.927705 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.450095 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.450095 0.892981 0.000000 ) a(3) = ( 0.000000 0.000000 0.927705 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.504037 -0.000000 ) b(2) = ( 0.000000 1.119845 -0.000000 ) b(3) = ( 0.000000 0.000000 1.077929 ) 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-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4638525 ) 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086201 0.0139981 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172402 0.0279961 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258604 0.0419942 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0344805 0.0559923 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431006 0.0699903 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517208 0.0839884 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0603409 0.0979864 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0689610 0.1119845 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0775811 0.1259826 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862012 0.1399806 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0948214 0.1539787 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1034415 0.1679768 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1120616 0.1819748 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1206818 0.1959729 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1293019 0.2099709 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1379220 0.2239690 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1465421 0.2379671 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1551623 0.2519651 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1637824 0.2659632 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1724025 0.2799613 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1810226 0.2939593 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1896427 0.3079574 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1982629 0.3219554 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2068830 0.3359535 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2155031 0.3499516 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2241232 0.3639496 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2327434 0.3779477 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2413635 0.3919458 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2499836 0.4059438 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2586038 0.4199419 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2672239 0.4339399 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2758440 0.4479380 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2844641 0.4619361 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2930842 0.4759341 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3017044 0.4899322 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3103245 0.5039303 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3189446 0.5179283 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3275648 0.5319264 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3361849 0.5459245 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3448050 0.5599225 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3448050 0.5599225 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3283857 0.5599225 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3119664 0.5599225 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2955471 0.5599225 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2791279 0.5599225 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2627086 0.5599225 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2462893 0.5599225 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2298700 0.5599225 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2134507 0.5599225 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1970314 0.5599225 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1806121 0.5599225 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1641929 0.5599225 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1477736 0.5599225 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1313543 0.5599225 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1149350 0.5599225 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0985157 0.5599225 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0820964 0.5599225 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0656771 0.5599225 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0492579 0.5599225 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328386 0.5599225 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164193 0.5599225 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5599225 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5599225 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5599225 0.0163323), wk = 0.0026738 k( 66) = ( 0.0000000 0.5599225 0.0326645), wk = 0.0026738 k( 67) = ( 0.0000000 0.5599225 0.0489968), wk = 0.0026738 k( 68) = ( 0.0000000 0.5599225 0.0653290), wk = 0.0026738 k( 69) = ( 0.0000000 0.5599225 0.0816613), wk = 0.0026738 k( 70) = ( 0.0000000 0.5599225 0.0979935), wk = 0.0026738 k( 71) = ( 0.0000000 0.5599225 0.1143258), wk = 0.0026738 k( 72) = ( 0.0000000 0.5599225 0.1306580), wk = 0.0026738 k( 73) = ( 0.0000000 0.5599225 0.1469903), wk = 0.0026738 k( 74) = ( 0.0000000 0.5599225 0.1633226), wk = 0.0026738 k( 75) = ( 0.0000000 0.5599225 0.1796548), wk = 0.0026738 k( 76) = ( 0.0000000 0.5599225 0.1959871), wk = 0.0026738 k( 77) = ( 0.0000000 0.5599225 0.2123193), wk = 0.0026738 k( 78) = ( 0.0000000 0.5599225 0.2286516), wk = 0.0026738 k( 79) = ( 0.0000000 0.5599225 0.2449838), wk = 0.0026738 k( 80) = ( 0.0000000 0.5599225 0.2613161), wk = 0.0026738 k( 81) = ( 0.0000000 0.5599225 0.2776484), wk = 0.0026738 k( 82) = ( 0.0000000 0.5599225 0.2939806), wk = 0.0026738 k( 83) = ( 0.0000000 0.5599225 0.3103129), wk = 0.0026738 k( 84) = ( 0.0000000 0.5599225 0.3266451), wk = 0.0026738 k( 85) = ( 0.0000000 0.5599225 0.3429774), wk = 0.0026738 k( 86) = ( 0.0000000 0.5599225 0.3593096), wk = 0.0026738 k( 87) = ( 0.0000000 0.5599225 0.3756419), wk = 0.0026738 k( 88) = ( 0.0000000 0.5599225 0.3919741), wk = 0.0026738 k( 89) = ( 0.0000000 0.5599225 0.4083064), wk = 0.0026738 k( 90) = ( 0.0000000 0.5599225 0.4246387), wk = 0.0026738 k( 91) = ( 0.0000000 0.5599225 0.4409709), wk = 0.0026738 k( 92) = ( 0.0000000 0.5599225 0.4573032), wk = 0.0026738 k( 93) = ( 0.0000000 0.5599225 0.4736354), wk = 0.0026738 k( 94) = ( 0.0000000 0.5599225 0.4899677), wk = 0.0026738 k( 95) = ( 0.0000000 0.5599225 0.5062999), wk = 0.0026738 k( 96) = ( 0.0000000 0.5599225 0.5226322), wk = 0.0026738 k( 97) = ( 0.0000000 0.5599225 0.5389645), wk = 0.0026738 k( 98) = ( 0.0000000 0.5599225 0.5389645), wk = 0.0026738 k( 99) = ( 0.0164193 0.5599225 0.5389645), wk = 0.0026738 k( 100) = ( 0.0328386 0.5599225 0.5389645), wk = 0.0026738 k( 101) = ( 0.0492579 0.5599225 0.5389645), wk = 0.0026738 k( 102) = ( 0.0656771 0.5599225 0.5389645), wk = 0.0026738 k( 103) = ( 0.0820964 0.5599225 0.5389645), wk = 0.0026738 k( 104) = ( 0.0985157 0.5599225 0.5389645), wk = 0.0026738 k( 105) = ( 0.1149350 0.5599225 0.5389645), wk = 0.0026738 k( 106) = ( 0.1313543 0.5599225 0.5389645), wk = 0.0026738 k( 107) = ( 0.1477736 0.5599225 0.5389645), wk = 0.0026738 k( 108) = ( 0.1641929 0.5599225 0.5389645), wk = 0.0026738 k( 109) = ( 0.1806121 0.5599225 0.5389645), wk = 0.0026738 k( 110) = ( 0.1970314 0.5599225 0.5389645), wk = 0.0026738 k( 111) = ( 0.2134507 0.5599225 0.5389645), wk = 0.0026738 k( 112) = ( 0.2298700 0.5599225 0.5389645), wk = 0.0026738 k( 113) = ( 0.2462893 0.5599225 0.5389645), wk = 0.0026738 k( 114) = ( 0.2627086 0.5599225 0.5389645), wk = 0.0026738 k( 115) = ( 0.2791279 0.5599225 0.5389645), wk = 0.0026738 k( 116) = ( 0.2955471 0.5599225 0.5389645), wk = 0.0026738 k( 117) = ( 0.3119664 0.5599225 0.5389645), wk = 0.0026738 k( 118) = ( 0.3283857 0.5599225 0.5389645), wk = 0.0026738 k( 119) = ( 0.3448050 0.5599225 0.5389645), wk = 0.0026738 k( 120) = ( 0.3448050 0.5599225 0.5389645), wk = 0.0026738 k( 121) = ( 0.3361849 0.5459245 0.5389645), wk = 0.0026738 k( 122) = ( 0.3275648 0.5319264 0.5389645), wk = 0.0026738 k( 123) = ( 0.3189446 0.5179283 0.5389645), wk = 0.0026738 k( 124) = ( 0.3103245 0.5039303 0.5389645), wk = 0.0026738 k( 125) = ( 0.3017044 0.4899322 0.5389645), wk = 0.0026738 k( 126) = ( 0.2930842 0.4759341 0.5389645), wk = 0.0026738 k( 127) = ( 0.2844641 0.4619361 0.5389645), wk = 0.0026738 k( 128) = ( 0.2758440 0.4479380 0.5389645), wk = 0.0026738 k( 129) = ( 0.2672239 0.4339399 0.5389645), wk = 0.0026738 k( 130) = ( 0.2586038 0.4199419 0.5389645), wk = 0.0026738 k( 131) = ( 0.2499836 0.4059438 0.5389645), wk = 0.0026738 k( 132) = ( 0.2413635 0.3919458 0.5389645), wk = 0.0026738 k( 133) = ( 0.2327434 0.3779477 0.5389645), wk = 0.0026738 k( 134) = ( 0.2241232 0.3639496 0.5389645), wk = 0.0026738 k( 135) = ( 0.2155031 0.3499516 0.5389645), wk = 0.0026738 k( 136) = ( 0.2068830 0.3359535 0.5389645), wk = 0.0026738 k( 137) = ( 0.1982629 0.3219554 0.5389645), wk = 0.0026738 k( 138) = ( 0.1896427 0.3079574 0.5389645), wk = 0.0026738 k( 139) = ( 0.1810226 0.2939593 0.5389645), wk = 0.0026738 k( 140) = ( 0.1724025 0.2799613 0.5389645), wk = 0.0026738 k( 141) = ( 0.1637824 0.2659632 0.5389645), wk = 0.0026738 k( 142) = ( 0.1551623 0.2519651 0.5389645), wk = 0.0026738 k( 143) = ( 0.1465421 0.2379671 0.5389645), wk = 0.0026738 k( 144) = ( 0.1379220 0.2239690 0.5389645), wk = 0.0026738 k( 145) = ( 0.1293019 0.2099709 0.5389645), wk = 0.0026738 k( 146) = ( 0.1206818 0.1959729 0.5389645), wk = 0.0026738 k( 147) = ( 0.1120616 0.1819748 0.5389645), wk = 0.0026738 k( 148) = ( 0.1034415 0.1679768 0.5389645), wk = 0.0026738 k( 149) = ( 0.0948214 0.1539787 0.5389645), wk = 0.0026738 k( 150) = ( 0.0862012 0.1399806 0.5389645), wk = 0.0026738 k( 151) = ( 0.0775811 0.1259826 0.5389645), wk = 0.0026738 k( 152) = ( 0.0689610 0.1119845 0.5389645), wk = 0.0026738 k( 153) = ( 0.0603409 0.0979864 0.5389645), wk = 0.0026738 k( 154) = ( 0.0517208 0.0839884 0.5389645), wk = 0.0026738 k( 155) = ( 0.0431006 0.0699903 0.5389645), wk = 0.0026738 k( 156) = ( 0.0344805 0.0559923 0.5389645), wk = 0.0026738 k( 157) = ( 0.0258604 0.0419942 0.5389645), wk = 0.0026738 k( 158) = ( 0.0172402 0.0279961 0.5389645), wk = 0.0026738 k( 159) = ( 0.0086201 0.0139981 0.5389645), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5389645), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5389645), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5226322), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5062999), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4899677), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4736354), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4573032), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4409709), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4246387), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4083064), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3919741), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3756419), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3593096), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3429774), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3266451), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3103129), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2939806), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2776484), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2613161), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2449838), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2286516), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2123193), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1959871), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1796548), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1633226), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1469903), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1306580), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1143258), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0979935), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0816613), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0653290), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489968), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326645), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163323), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085529 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171058 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0256587 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342116 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0427645 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0513174 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0598703 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0684232 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0769761 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0855289 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0940818 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1026347 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1111876 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1197405 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1282934 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1368463 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1453992 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1539521 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1625050 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1710579 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1796108 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1881637 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1967166 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2052695 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2138224 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2223753 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2309282 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2394810 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2480339 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2565868 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2651397 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2736926 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2822455 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2907984 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.2993513 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3079042 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3079042 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913781 0.3219052 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827561 0.3359062 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741342 0.3499073 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655122 0.3639083 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4568903 0.3779093 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4482683 0.3919103 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4396464 0.4059113 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4310244 0.4199124 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4224025 0.4339134 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4137806 0.4479144 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4051586 0.4619154 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3965367 0.4759164 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3879147 0.4899174 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3792928 0.5039184 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3706708 0.5179195 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3620489 0.5319205 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3534269 0.5459215 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3448050 0.5599225 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3448050 0.5599225 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3448050 0.5599225 0.0163323), wk = 0.0026738 k( 253) = ( -0.3448050 0.5599225 0.0326645), wk = 0.0026738 k( 254) = ( -0.3448050 0.5599225 0.0489968), wk = 0.0026738 k( 255) = ( -0.3448050 0.5599225 0.0653290), wk = 0.0026738 k( 256) = ( -0.3448050 0.5599225 0.0816613), wk = 0.0026738 k( 257) = ( -0.3448050 0.5599225 0.0979935), wk = 0.0026738 k( 258) = ( -0.3448050 0.5599225 0.1143258), wk = 0.0026738 k( 259) = ( -0.3448050 0.5599225 0.1306580), wk = 0.0026738 k( 260) = ( -0.3448050 0.5599225 0.1469903), wk = 0.0026738 k( 261) = ( -0.3448050 0.5599225 0.1633226), wk = 0.0026738 k( 262) = ( -0.3448050 0.5599225 0.1796548), wk = 0.0026738 k( 263) = ( -0.3448050 0.5599225 0.1959871), wk = 0.0026738 k( 264) = ( -0.3448050 0.5599225 0.2123193), wk = 0.0026738 k( 265) = ( -0.3448050 0.5599225 0.2286516), wk = 0.0026738 k( 266) = ( -0.3448050 0.5599225 0.2449838), wk = 0.0026738 k( 267) = ( -0.3448050 0.5599225 0.2613161), wk = 0.0026738 k( 268) = ( -0.3448050 0.5599225 0.2776484), wk = 0.0026738 k( 269) = ( -0.3448050 0.5599225 0.2939806), wk = 0.0026738 k( 270) = ( -0.3448050 0.5599225 0.3103129), wk = 0.0026738 k( 271) = ( -0.3448050 0.5599225 0.3266451), wk = 0.0026738 k( 272) = ( -0.3448050 0.5599225 0.3429774), wk = 0.0026738 k( 273) = ( -0.3448050 0.5599225 0.3593096), wk = 0.0026738 k( 274) = ( -0.3448050 0.5599225 0.3756419), wk = 0.0026738 k( 275) = ( -0.3448050 0.5599225 0.3919741), wk = 0.0026738 k( 276) = ( -0.3448050 0.5599225 0.4083064), wk = 0.0026738 k( 277) = ( -0.3448050 0.5599225 0.4246387), wk = 0.0026738 k( 278) = ( -0.3448050 0.5599225 0.4409709), wk = 0.0026738 k( 279) = ( -0.3448050 0.5599225 0.4573032), wk = 0.0026738 k( 280) = ( -0.3448050 0.5599225 0.4736354), wk = 0.0026738 k( 281) = ( -0.3448050 0.5599225 0.4899677), wk = 0.0026738 k( 282) = ( -0.3448050 0.5599225 0.5062999), wk = 0.0026738 k( 283) = ( -0.3448050 0.5599225 0.5226322), wk = 0.0026738 k( 284) = ( -0.3448050 0.5599225 0.5389645), wk = 0.0026738 k( 285) = ( -0.3448050 0.5599225 0.5389645), wk = 0.0026738 k( 286) = ( -0.3534269 0.5459215 0.5389645), wk = 0.0026738 k( 287) = ( -0.3620489 0.5319205 0.5389645), wk = 0.0026738 k( 288) = ( -0.3706708 0.5179195 0.5389645), wk = 0.0026738 k( 289) = ( -0.3792928 0.5039184 0.5389645), wk = 0.0026738 k( 290) = ( -0.3879147 0.4899174 0.5389645), wk = 0.0026738 k( 291) = ( -0.3965367 0.4759164 0.5389645), wk = 0.0026738 k( 292) = ( -0.4051586 0.4619154 0.5389645), wk = 0.0026738 k( 293) = ( -0.4137806 0.4479144 0.5389645), wk = 0.0026738 k( 294) = ( -0.4224025 0.4339134 0.5389645), wk = 0.0026738 k( 295) = ( -0.4310244 0.4199124 0.5389645), wk = 0.0026738 k( 296) = ( -0.4396464 0.4059113 0.5389645), wk = 0.0026738 k( 297) = ( -0.4482683 0.3919103 0.5389645), wk = 0.0026738 k( 298) = ( -0.4568903 0.3779093 0.5389645), wk = 0.0026738 k( 299) = ( -0.4655122 0.3639083 0.5389645), wk = 0.0026738 k( 300) = ( -0.4741342 0.3499073 0.5389645), wk = 0.0026738 k( 301) = ( -0.4827561 0.3359062 0.5389645), wk = 0.0026738 k( 302) = ( -0.4913781 0.3219052 0.5389645), wk = 0.0026738 k( 303) = ( -0.5000000 0.3079042 0.5389645), wk = 0.0026738 k( 304) = ( -0.5000000 0.3079042 0.5389645), wk = 0.0026738 k( 305) = ( -0.5000000 0.3079042 0.5226322), wk = 0.0026738 k( 306) = ( -0.5000000 0.3079042 0.5062999), wk = 0.0026738 k( 307) = ( -0.5000000 0.3079042 0.4899677), wk = 0.0026738 k( 308) = ( -0.5000000 0.3079042 0.4736354), wk = 0.0026738 k( 309) = ( -0.5000000 0.3079042 0.4573032), wk = 0.0026738 k( 310) = ( -0.5000000 0.3079042 0.4409709), wk = 0.0026738 k( 311) = ( -0.5000000 0.3079042 0.4246387), wk = 0.0026738 k( 312) = ( -0.5000000 0.3079042 0.4083064), wk = 0.0026738 k( 313) = ( -0.5000000 0.3079042 0.3919741), wk = 0.0026738 k( 314) = ( -0.5000000 0.3079042 0.3756419), wk = 0.0026738 k( 315) = ( -0.5000000 0.3079042 0.3593096), wk = 0.0026738 k( 316) = ( -0.5000000 0.3079042 0.3429774), wk = 0.0026738 k( 317) = ( -0.5000000 0.3079042 0.3266451), wk = 0.0026738 k( 318) = ( -0.5000000 0.3079042 0.3103129), wk = 0.0026738 k( 319) = ( -0.5000000 0.3079042 0.2939806), wk = 0.0026738 k( 320) = ( -0.5000000 0.3079042 0.2776484), wk = 0.0026738 k( 321) = ( -0.5000000 0.3079042 0.2613161), wk = 0.0026738 k( 322) = ( -0.5000000 0.3079042 0.2449838), wk = 0.0026738 k( 323) = ( -0.5000000 0.3079042 0.2286516), wk = 0.0026738 k( 324) = ( -0.5000000 0.3079042 0.2123193), wk = 0.0026738 k( 325) = ( -0.5000000 0.3079042 0.1959871), wk = 0.0026738 k( 326) = ( -0.5000000 0.3079042 0.1796548), wk = 0.0026738 k( 327) = ( -0.5000000 0.3079042 0.1633226), wk = 0.0026738 k( 328) = ( -0.5000000 0.3079042 0.1469903), wk = 0.0026738 k( 329) = ( -0.5000000 0.3079042 0.1306580), wk = 0.0026738 k( 330) = ( -0.5000000 0.3079042 0.1143258), wk = 0.0026738 k( 331) = ( -0.5000000 0.3079042 0.0979935), wk = 0.0026738 k( 332) = ( -0.5000000 0.3079042 0.0816613), wk = 0.0026738 k( 333) = ( -0.5000000 0.3079042 0.0653290), wk = 0.0026738 k( 334) = ( -0.5000000 0.3079042 0.0489968), wk = 0.0026738 k( 335) = ( -0.5000000 0.3079042 0.0326645), wk = 0.0026738 k( 336) = ( -0.5000000 0.3079042 0.0163323), wk = 0.0026738 k( 337) = ( -0.5000000 0.3079042 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5389645), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085529 0.5389645), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171058 0.5389645), wk = 0.0026738 k( 341) = ( -0.0416667 0.0256587 0.5389645), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342116 0.5389645), wk = 0.0026738 k( 343) = ( -0.0694444 0.0427645 0.5389645), wk = 0.0026738 k( 344) = ( -0.0833333 0.0513174 0.5389645), wk = 0.0026738 k( 345) = ( -0.0972222 0.0598703 0.5389645), wk = 0.0026738 k( 346) = ( -0.1111111 0.0684232 0.5389645), wk = 0.0026738 k( 347) = ( -0.1250000 0.0769761 0.5389645), wk = 0.0026738 k( 348) = ( -0.1388889 0.0855289 0.5389645), wk = 0.0026738 k( 349) = ( -0.1527778 0.0940818 0.5389645), wk = 0.0026738 k( 350) = ( -0.1666667 0.1026347 0.5389645), wk = 0.0026738 k( 351) = ( -0.1805556 0.1111876 0.5389645), wk = 0.0026738 k( 352) = ( -0.1944444 0.1197405 0.5389645), wk = 0.0026738 k( 353) = ( -0.2083333 0.1282934 0.5389645), wk = 0.0026738 k( 354) = ( -0.2222222 0.1368463 0.5389645), wk = 0.0026738 k( 355) = ( -0.2361111 0.1453992 0.5389645), wk = 0.0026738 k( 356) = ( -0.2500000 0.1539521 0.5389645), wk = 0.0026738 k( 357) = ( -0.2638889 0.1625050 0.5389645), wk = 0.0026738 k( 358) = ( -0.2777778 0.1710579 0.5389645), wk = 0.0026738 k( 359) = ( -0.2916667 0.1796108 0.5389645), wk = 0.0026738 k( 360) = ( -0.3055556 0.1881637 0.5389645), wk = 0.0026738 k( 361) = ( -0.3194444 0.1967166 0.5389645), wk = 0.0026738 k( 362) = ( -0.3333333 0.2052695 0.5389645), wk = 0.0026738 k( 363) = ( -0.3472222 0.2138224 0.5389645), wk = 0.0026738 k( 364) = ( -0.3611111 0.2223753 0.5389645), wk = 0.0026738 k( 365) = ( -0.3750000 0.2309282 0.5389645), wk = 0.0026738 k( 366) = ( -0.3888889 0.2394810 0.5389645), wk = 0.0026738 k( 367) = ( -0.4027778 0.2480339 0.5389645), wk = 0.0026738 k( 368) = ( -0.4166667 0.2565868 0.5389645), wk = 0.0026738 k( 369) = ( -0.4305556 0.2651397 0.5389645), wk = 0.0026738 k( 370) = ( -0.4444444 0.2736926 0.5389645), wk = 0.0026738 k( 371) = ( -0.4583333 0.2822455 0.5389645), wk = 0.0026738 k( 372) = ( -0.4722222 0.2907984 0.5389645), wk = 0.0026738 k( 373) = ( -0.4861111 0.2993513 0.5389645), wk = 0.0026738 k( 374) = ( -0.5000000 0.3079042 0.5389645), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086201 0.0086201 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172402 0.0172402 0.0000000), wk = 0.0026738 k( 4) = ( 0.0258604 0.0258604 0.0000000), wk = 0.0026738 k( 5) = ( 0.0344805 0.0344805 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431006 0.0431006 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517208 0.0517208 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0603409 0.0603409 0.0000000), wk = 0.0026738 k( 9) = ( 0.0689610 0.0689610 0.0000000), wk = 0.0026738 k( 10) = ( 0.0775811 0.0775811 0.0000000), wk = 0.0026738 k( 11) = ( 0.0862012 0.0862013 0.0000000), wk = 0.0026738 k( 12) = ( 0.0948214 0.0948214 0.0000000), wk = 0.0026738 k( 13) = ( 0.1034415 0.1034415 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1120616 0.1120616 0.0000000), wk = 0.0026738 k( 15) = ( 0.1206818 0.1206818 0.0000000), wk = 0.0026738 k( 16) = ( 0.1293019 0.1293019 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1379220 0.1379220 0.0000000), wk = 0.0026738 k( 18) = ( 0.1465421 0.1465421 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1551623 0.1551623 0.0000000), wk = 0.0026738 k( 20) = ( 0.1637824 0.1637824 0.0000000), wk = 0.0026738 k( 21) = ( 0.1724025 0.1724025 0.0000000), wk = 0.0026738 k( 22) = ( 0.1810226 0.1810226 0.0000000), wk = 0.0026738 k( 23) = ( 0.1896427 0.1896428 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1982629 0.1982629 0.0000000), wk = 0.0026738 k( 25) = ( 0.2068830 0.2068830 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2155031 0.2155031 0.0000000), wk = 0.0026738 k( 27) = ( 0.2241232 0.2241233 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2327434 0.2327434 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2413635 0.2413635 0.0000000), wk = 0.0026738 k( 30) = ( 0.2499836 0.2499836 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2586038 0.2586038 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2672239 0.2672239 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2758440 0.2758440 0.0000000), wk = 0.0026738 k( 34) = ( 0.2844641 0.2844641 0.0000000), wk = 0.0026738 k( 35) = ( 0.2930842 0.2930843 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3017044 0.3017044 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3103245 0.3103245 0.0000000), wk = 0.0026738 k( 38) = ( 0.3189446 0.3189446 0.0000000), wk = 0.0026738 k( 39) = ( 0.3275648 0.3275648 0.0000000), wk = 0.0026738 k( 40) = ( 0.3361849 0.3361849 0.0000000), wk = 0.0026738 k( 41) = ( 0.3448050 0.3448050 0.0000000), wk = 0.0026738 k( 42) = ( 0.3448050 0.3448050 0.0000000), wk = 0.0026738 k( 43) = ( 0.3283857 0.3521952 0.0000000), wk = 0.0026738 k( 44) = ( 0.3119664 0.3595855 0.0000000), wk = 0.0026738 k( 45) = ( 0.2955471 0.3669757 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2791279 0.3743659 0.0000000), wk = 0.0026738 k( 47) = ( 0.2627086 0.3817562 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2462893 0.3891464 0.0000000), wk = 0.0026738 k( 49) = ( 0.2298700 0.3965367 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2134507 0.4039269 0.0000000), wk = 0.0026738 k( 51) = ( 0.1970314 0.4113171 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1806121 0.4187074 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1641929 0.4260976 0.0000000), wk = 0.0026738 k( 54) = ( 0.1477736 0.4334879 0.0000000), wk = 0.0026738 k( 55) = ( 0.1313543 0.4408781 0.0000000), wk = 0.0026738 k( 56) = ( 0.1149350 0.4482683 0.0000000), wk = 0.0026738 k( 57) = ( 0.0985157 0.4556586 0.0000000), wk = 0.0026738 k( 58) = ( 0.0820964 0.4630488 0.0000000), wk = 0.0026738 k( 59) = ( 0.0656771 0.4704391 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0492579 0.4778293 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328386 0.4852195 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164193 0.4926098 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515152), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164193 0.4926098 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328386 0.4852195 0.5000000), wk = 0.0026738 k( 101) = ( 0.0492579 0.4778293 0.5000000), wk = 0.0026738 k( 102) = ( 0.0656771 0.4704391 0.5000000), wk = 0.0026738 k( 103) = ( 0.0820964 0.4630488 0.5000000), wk = 0.0026738 k( 104) = ( 0.0985157 0.4556586 0.5000000), wk = 0.0026738 k( 105) = ( 0.1149350 0.4482683 0.5000000), wk = 0.0026738 k( 106) = ( 0.1313543 0.4408781 0.5000000), wk = 0.0026738 k( 107) = ( 0.1477736 0.4334879 0.5000000), wk = 0.0026738 k( 108) = ( 0.1641929 0.4260976 0.5000000), wk = 0.0026738 k( 109) = ( 0.1806121 0.4187074 0.5000000), wk = 0.0026738 k( 110) = ( 0.1970314 0.4113171 0.5000000), wk = 0.0026738 k( 111) = ( 0.2134507 0.4039269 0.5000000), wk = 0.0026738 k( 112) = ( 0.2298700 0.3965367 0.5000000), wk = 0.0026738 k( 113) = ( 0.2462893 0.3891464 0.5000000), wk = 0.0026738 k( 114) = ( 0.2627086 0.3817562 0.5000000), wk = 0.0026738 k( 115) = ( 0.2791279 0.3743659 0.5000000), wk = 0.0026738 k( 116) = ( 0.2955471 0.3669757 0.5000000), wk = 0.0026738 k( 117) = ( 0.3119664 0.3595855 0.5000000), wk = 0.0026738 k( 118) = ( 0.3283857 0.3521952 0.5000000), wk = 0.0026738 k( 119) = ( 0.3448050 0.3448050 0.5000000), wk = 0.0026738 k( 120) = ( 0.3448050 0.3448050 0.5000000), wk = 0.0026738 k( 121) = ( 0.3361849 0.3361849 0.5000000), wk = 0.0026738 k( 122) = ( 0.3275648 0.3275648 0.5000000), wk = 0.0026738 k( 123) = ( 0.3189446 0.3189446 0.5000000), wk = 0.0026738 k( 124) = ( 0.3103245 0.3103245 0.5000000), wk = 0.0026738 k( 125) = ( 0.3017044 0.3017044 0.5000000), wk = 0.0026738 k( 126) = ( 0.2930842 0.2930843 0.5000000), wk = 0.0026738 k( 127) = ( 0.2844641 0.2844641 0.5000000), wk = 0.0026738 k( 128) = ( 0.2758440 0.2758440 0.5000000), wk = 0.0026738 k( 129) = ( 0.2672239 0.2672239 0.5000000), wk = 0.0026738 k( 130) = ( 0.2586038 0.2586038 0.5000000), wk = 0.0026738 k( 131) = ( 0.2499836 0.2499836 0.5000000), wk = 0.0026738 k( 132) = ( 0.2413635 0.2413635 0.5000000), wk = 0.0026738 k( 133) = ( 0.2327434 0.2327434 0.5000000), wk = 0.0026738 k( 134) = ( 0.2241232 0.2241233 0.5000000), wk = 0.0026738 k( 135) = ( 0.2155031 0.2155031 0.5000000), wk = 0.0026738 k( 136) = ( 0.2068830 0.2068830 0.5000000), wk = 0.0026738 k( 137) = ( 0.1982629 0.1982629 0.5000000), wk = 0.0026738 k( 138) = ( 0.1896427 0.1896428 0.5000000), wk = 0.0026738 k( 139) = ( 0.1810226 0.1810226 0.5000000), wk = 0.0026738 k( 140) = ( 0.1724025 0.1724025 0.5000000), wk = 0.0026738 k( 141) = ( 0.1637824 0.1637824 0.5000000), wk = 0.0026738 k( 142) = ( 0.1551623 0.1551623 0.5000000), wk = 0.0026738 k( 143) = ( 0.1465421 0.1465421 0.5000000), wk = 0.0026738 k( 144) = ( 0.1379220 0.1379220 0.5000000), wk = 0.0026738 k( 145) = ( 0.1293019 0.1293019 0.5000000), wk = 0.0026738 k( 146) = ( 0.1206818 0.1206818 0.5000000), wk = 0.0026738 k( 147) = ( 0.1120616 0.1120616 0.5000000), wk = 0.0026738 k( 148) = ( 0.1034415 0.1034415 0.5000000), wk = 0.0026738 k( 149) = ( 0.0948214 0.0948214 0.5000000), wk = 0.0026738 k( 150) = ( 0.0862012 0.0862013 0.5000000), wk = 0.0026738 k( 151) = ( 0.0775811 0.0775811 0.5000000), wk = 0.0026738 k( 152) = ( 0.0689610 0.0689610 0.5000000), wk = 0.0026738 k( 153) = ( 0.0603409 0.0603409 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517208 0.0517208 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431006 0.0431006 0.5000000), wk = 0.0026738 k( 156) = ( 0.0344805 0.0344805 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258604 0.0258604 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172402 0.0172402 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086201 0.0086201 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913781 0.5086219 0.0000000), wk = 0.0026738 k( 234) = ( -0.4827561 0.5172439 0.0000000), wk = 0.0026738 k( 235) = ( -0.4741342 0.5258658 0.0000000), wk = 0.0026738 k( 236) = ( -0.4655122 0.5344878 0.0000000), wk = 0.0026738 k( 237) = ( -0.4568903 0.5431097 0.0000000), wk = 0.0026738 k( 238) = ( -0.4482683 0.5517317 0.0000000), wk = 0.0026738 k( 239) = ( -0.4396464 0.5603536 0.0000000), wk = 0.0026738 k( 240) = ( -0.4310244 0.5689756 0.0000000), wk = 0.0026738 k( 241) = ( -0.4224025 0.5775975 0.0000000), wk = 0.0026738 k( 242) = ( -0.4137806 0.5862194 0.0000000), wk = 0.0026738 k( 243) = ( -0.4051586 0.5948414 0.0000000), wk = 0.0026738 k( 244) = ( -0.3965367 0.6034633 0.0000000), wk = 0.0026738 k( 245) = ( -0.3879147 0.6120853 0.0000000), wk = 0.0026738 k( 246) = ( -0.3792928 0.6207072 0.0000000), wk = 0.0026738 k( 247) = ( -0.3706708 0.6293292 0.0000000), wk = 0.0026738 k( 248) = ( -0.3620489 0.6379511 0.0000000), wk = 0.0026738 k( 249) = ( -0.3534269 0.6465731 0.0000000), wk = 0.0026738 k( 250) = ( -0.3448050 0.6551950 0.0000000), wk = 0.0026738 k( 251) = ( -0.3448050 0.6551950 0.0000000), wk = 0.0026738 k( 252) = ( -0.3448050 0.6551950 0.0151515), wk = 0.0026738 k( 253) = ( -0.3448050 0.6551950 0.0303030), wk = 0.0026738 k( 254) = ( -0.3448050 0.6551950 0.0454546), wk = 0.0026738 k( 255) = ( -0.3448050 0.6551950 0.0606061), wk = 0.0026738 k( 256) = ( -0.3448050 0.6551950 0.0757576), wk = 0.0026738 k( 257) = ( -0.3448050 0.6551950 0.0909091), wk = 0.0026738 k( 258) = ( -0.3448050 0.6551950 0.1060606), wk = 0.0026738 k( 259) = ( -0.3448050 0.6551950 0.1212121), wk = 0.0026738 k( 260) = ( -0.3448050 0.6551950 0.1363636), wk = 0.0026738 k( 261) = ( -0.3448050 0.6551950 0.1515152), wk = 0.0026738 k( 262) = ( -0.3448050 0.6551950 0.1666667), wk = 0.0026738 k( 263) = ( -0.3448050 0.6551950 0.1818182), wk = 0.0026738 k( 264) = ( -0.3448050 0.6551950 0.1969697), wk = 0.0026738 k( 265) = ( -0.3448050 0.6551950 0.2121212), wk = 0.0026738 k( 266) = ( -0.3448050 0.6551950 0.2272727), wk = 0.0026738 k( 267) = ( -0.3448050 0.6551950 0.2424242), wk = 0.0026738 k( 268) = ( -0.3448050 0.6551950 0.2575758), wk = 0.0026738 k( 269) = ( -0.3448050 0.6551950 0.2727273), wk = 0.0026738 k( 270) = ( -0.3448050 0.6551950 0.2878788), wk = 0.0026738 k( 271) = ( -0.3448050 0.6551950 0.3030303), wk = 0.0026738 k( 272) = ( -0.3448050 0.6551950 0.3181818), wk = 0.0026738 k( 273) = ( -0.3448050 0.6551950 0.3333333), wk = 0.0026738 k( 274) = ( -0.3448050 0.6551950 0.3484849), wk = 0.0026738 k( 275) = ( -0.3448050 0.6551950 0.3636364), wk = 0.0026738 k( 276) = ( -0.3448050 0.6551950 0.3787879), wk = 0.0026738 k( 277) = ( -0.3448050 0.6551950 0.3939394), wk = 0.0026738 k( 278) = ( -0.3448050 0.6551950 0.4090909), wk = 0.0026738 k( 279) = ( -0.3448050 0.6551950 0.4242424), wk = 0.0026738 k( 280) = ( -0.3448050 0.6551950 0.4393939), wk = 0.0026738 k( 281) = ( -0.3448050 0.6551950 0.4545455), wk = 0.0026738 k( 282) = ( -0.3448050 0.6551950 0.4696970), wk = 0.0026738 k( 283) = ( -0.3448050 0.6551950 0.4848485), wk = 0.0026738 k( 284) = ( -0.3448050 0.6551950 0.5000000), wk = 0.0026738 k( 285) = ( -0.3448050 0.6551950 0.5000000), wk = 0.0026738 k( 286) = ( -0.3534269 0.6465731 0.5000000), wk = 0.0026738 k( 287) = ( -0.3620489 0.6379511 0.5000000), wk = 0.0026738 k( 288) = ( -0.3706708 0.6293292 0.5000000), wk = 0.0026738 k( 289) = ( -0.3792928 0.6207072 0.5000000), wk = 0.0026738 k( 290) = ( -0.3879147 0.6120853 0.5000000), wk = 0.0026738 k( 291) = ( -0.3965367 0.6034633 0.5000000), wk = 0.0026738 k( 292) = ( -0.4051586 0.5948414 0.5000000), wk = 0.0026738 k( 293) = ( -0.4137806 0.5862194 0.5000000), wk = 0.0026738 k( 294) = ( -0.4224025 0.5775975 0.5000000), wk = 0.0026738 k( 295) = ( -0.4310244 0.5689756 0.5000000), wk = 0.0026738 k( 296) = ( -0.4396464 0.5603536 0.5000000), wk = 0.0026738 k( 297) = ( -0.4482683 0.5517317 0.5000000), wk = 0.0026738 k( 298) = ( -0.4568903 0.5431097 0.5000000), wk = 0.0026738 k( 299) = ( -0.4655122 0.5344878 0.5000000), wk = 0.0026738 k( 300) = ( -0.4741342 0.5258658 0.5000000), wk = 0.0026738 k( 301) = ( -0.4827561 0.5172439 0.5000000), wk = 0.0026738 k( 302) = ( -0.4913781 0.5086219 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78509 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34781 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 188, 58) NL pseudopotentials 0.32 Mb ( 94, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1637) G-vector shells 0.01 Mb ( 842) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 188, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.5 secs Computing kpt #: 6 total cpu time spent up to now is 71.8 secs Computing kpt #: 7 total cpu time spent up to now is 75.6 secs Computing kpt #: 8 total cpu time spent up to now is 79.1 secs Computing kpt #: 9 total cpu time spent up to now is 82.2 secs Computing kpt #: 10 total cpu time spent up to now is 85.3 secs Computing kpt #: 11 total cpu time spent up to now is 88.3 secs Computing kpt #: 12 total cpu time spent up to now is 91.4 secs Computing kpt #: 13 total cpu time spent up to now is 94.6 secs Computing kpt #: 14 total cpu time spent up to now is 97.5 secs Computing kpt #: 15 total cpu time spent up to now is 100.3 secs Computing kpt #: 16 total cpu time spent up to now is 103.0 secs Computing kpt #: 17 total cpu time spent up to now is 105.6 secs Computing kpt #: 18 total cpu time spent up to now is 108.3 secs Computing kpt #: 19 total cpu time spent up to now is 111.0 secs Computing kpt #: 20 total cpu time spent up to now is 113.6 secs Computing kpt #: 21 total cpu time spent up to now is 116.2 secs Computing kpt #: 22 total cpu time spent up to now is 118.7 secs Computing kpt #: 23 total cpu time spent up to now is 121.5 secs Computing kpt #: 24 total cpu time spent up to now is 124.1 secs Computing kpt #: 25 total cpu time spent up to now is 126.7 secs Computing kpt #: 26 total cpu time spent up to now is 129.4 secs Computing kpt #: 27 total cpu time spent up to now is 132.2 secs Computing kpt #: 28 total cpu time spent up to now is 135.3 secs Computing kpt #: 29 total cpu time spent up to now is 137.8 secs Computing kpt #: 30 total cpu time spent up to now is 140.3 secs Computing kpt #: 31 total cpu time spent up to now is 142.9 secs Computing kpt #: 32 total cpu time spent up to now is 145.4 secs Computing kpt #: 33 total cpu time spent up to now is 147.8 secs Computing kpt #: 34 total cpu time spent up to now is 150.9 secs Computing kpt #: 35 total cpu time spent up to now is 154.0 secs Computing kpt #: 36 total cpu time spent up to now is 157.4 secs Computing kpt #: 37 total cpu time spent up to now is 160.9 secs Computing kpt #: 38 total cpu time spent up to now is 164.0 secs Computing kpt #: 39 total cpu time spent up to now is 168.5 secs Computing kpt #: 40 total cpu time spent up to now is 171.6 secs Computing kpt #: 41 total cpu time spent up to now is 174.7 secs Computing kpt #: 42 total cpu time spent up to now is 177.9 secs Computing kpt #: 43 total cpu time spent up to now is 181.1 secs Computing kpt #: 44 total cpu time spent up to now is 184.4 secs Computing kpt #: 45 total cpu time spent up to now is 187.6 secs Computing kpt #: 46 total cpu time spent up to now is 190.8 secs Computing kpt #: 47 total cpu time spent up to now is 193.9 secs Computing kpt #: 48 total cpu time spent up to now is 197.0 secs Computing kpt #: 49 total cpu time spent up to now is 200.3 secs Computing kpt #: 50 total cpu time spent up to now is 203.5 secs Computing kpt #: 51 total cpu time spent up to now is 206.5 secs Computing kpt #: 52 total cpu time spent up to now is 209.6 secs Computing kpt #: 53 total cpu time spent up to now is 212.7 secs Computing kpt #: 54 total cpu time spent up to now is 215.8 secs Computing kpt #: 55 total cpu time spent up to now is 218.9 secs Computing kpt #: 56 total cpu time spent up to now is 221.9 secs Computing kpt #: 57 total cpu time spent up to now is 225.0 secs Computing kpt #: 58 total cpu time spent up to now is 227.7 secs Computing kpt #: 59 total cpu time spent up to now is 230.8 secs Computing kpt #: 60 total cpu time spent up to now is 233.7 secs Computing kpt #: 61 total cpu time spent up to now is 236.5 secs Computing kpt #: 62 total cpu time spent up to now is 239.3 secs Computing kpt #: 63 total cpu time spent up to now is 242.2 secs Computing kpt #: 64 total cpu time spent up to now is 245.0 secs Computing kpt #: 65 total cpu time spent up to now is 247.8 secs Computing kpt #: 66 total cpu time spent up to now is 250.7 secs Computing kpt #: 67 total cpu time spent up to now is 253.7 secs Computing kpt #: 68 total cpu time spent up to now is 256.7 secs Computing kpt #: 69 total cpu time spent up to now is 259.7 secs Computing kpt #: 70 total cpu time spent up to now is 262.7 secs Computing kpt #: 71 total cpu time spent up to now is 265.8 secs Computing kpt #: 72 total cpu time spent up to now is 268.9 secs Computing kpt #: 73 total cpu time spent up to now is 272.1 secs Computing kpt #: 74 total cpu time spent up to now is 275.2 secs Computing kpt #: 75 total cpu time spent up to now is 278.2 secs Computing kpt #: 76 total cpu time spent up to now is 281.4 secs Computing kpt #: 77 total cpu time spent up to now is 284.7 secs Computing kpt #: 78 total cpu time spent up to now is 288.3 secs Computing kpt #: 79 total cpu time spent up to now is 291.8 secs Computing kpt #: 80 total cpu time spent up to now is 295.4 secs Computing kpt #: 81 total cpu time spent up to now is 300.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.6 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.9 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.2 secs Computing kpt #: 85 total cpu time spent up to now is 320.6 secs Computing kpt #: 86 total cpu time spent up to now is 323.8 secs Computing kpt #: 87 total cpu time spent up to now is 326.9 secs Computing kpt #: 88 total cpu time spent up to now is 329.7 secs Computing kpt #: 89 total cpu time spent up to now is 332.7 secs Computing kpt #: 90 total cpu time spent up to now is 335.6 secs Computing kpt #: 91 total cpu time spent up to now is 338.7 secs Computing kpt #: 92 total cpu time spent up to now is 341.5 secs Computing kpt #: 93 total cpu time spent up to now is 344.2 secs Computing kpt #: 94 total cpu time spent up to now is 347.1 secs Computing kpt #: 95 total cpu time spent up to now is 350.2 secs Computing kpt #: 96 total cpu time spent up to now is 353.2 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.3 secs Computing kpt #: 98 total cpu time spent up to now is 361.5 secs Computing kpt #: 99 total cpu time spent up to now is 364.7 secs Computing kpt #: 100 total cpu time spent up to now is 367.9 secs Computing kpt #: 101 total cpu time spent up to now is 371.0 secs Computing kpt #: 102 total cpu time spent up to now is 374.2 secs Computing kpt #: 103 total cpu time spent up to now is 377.6 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.7 secs Computing kpt #: 105 total cpu time spent up to now is 386.0 secs Computing kpt #: 106 total cpu time spent up to now is 389.1 secs Computing kpt #: 107 total cpu time spent up to now is 393.5 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.6 secs Computing kpt #: 109 total cpu time spent up to now is 401.8 secs Computing kpt #: 110 total cpu time spent up to now is 405.1 secs Computing kpt #: 111 total cpu time spent up to now is 407.7 secs Computing kpt #: 112 total cpu time spent up to now is 410.9 secs Computing kpt #: 113 total cpu time spent up to now is 414.1 secs Computing kpt #: 114 total cpu time spent up to now is 417.3 secs Computing kpt #: 115 total cpu time spent up to now is 420.9 secs Computing kpt #: 116 total cpu time spent up to now is 424.2 secs Computing kpt #: 117 total cpu time spent up to now is 427.3 secs Computing kpt #: 118 total cpu time spent up to now is 430.5 secs Computing kpt #: 119 total cpu time spent up to now is 433.7 secs Computing kpt #: 120 total cpu time spent up to now is 436.8 secs Computing kpt #: 121 total cpu time spent up to now is 440.1 secs Computing kpt #: 122 total cpu time spent up to now is 443.2 secs Computing kpt #: 123 total cpu time spent up to now is 446.3 secs Computing kpt #: 124 total cpu time spent up to now is 449.3 secs Computing kpt #: 125 total cpu time spent up to now is 452.9 secs Computing kpt #: 126 total cpu time spent up to now is 456.0 secs Computing kpt #: 127 total cpu time spent up to now is 459.2 secs Computing kpt #: 128 total cpu time spent up to now is 462.4 secs Computing kpt #: 129 total cpu time spent up to now is 465.6 secs Computing kpt #: 130 total cpu time spent up to now is 468.8 secs Computing kpt #: 131 total cpu time spent up to now is 472.0 secs Computing kpt #: 132 total cpu time spent up to now is 476.6 secs Computing kpt #: 133 total cpu time spent up to now is 479.9 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.8 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.0 secs Computing kpt #: 137 total cpu time spent up to now is 499.5 secs Computing kpt #: 138 total cpu time spent up to now is 503.1 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.0 secs Computing kpt #: 140 total cpu time spent up to now is 511.6 secs Computing kpt #: 141 total cpu time spent up to now is 515.0 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.0 secs Computing kpt #: 143 total cpu time spent up to now is 523.3 secs Computing kpt #: 144 total cpu time spent up to now is 526.8 secs Computing kpt #: 145 total cpu time spent up to now is 530.2 secs Computing kpt #: 146 total cpu time spent up to now is 533.4 secs Computing kpt #: 147 total cpu time spent up to now is 536.7 secs Computing kpt #: 148 total cpu time spent up to now is 539.9 secs Computing kpt #: 149 total cpu time spent up to now is 543.0 secs Computing kpt #: 150 total cpu time spent up to now is 546.2 secs Computing kpt #: 151 total cpu time spent up to now is 549.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 554.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.2 secs Computing kpt #: 155 total cpu time spent up to now is 567.7 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.9 secs Computing kpt #: 159 total cpu time spent up to now is 586.3 secs Computing kpt #: 160 total cpu time spent up to now is 588.5 secs Computing kpt #: 161 total cpu time spent up to now is 590.8 secs Computing kpt #: 162 total cpu time spent up to now is 593.8 secs Computing kpt #: 163 total cpu time spent up to now is 596.8 secs Computing kpt #: 164 total cpu time spent up to now is 600.3 secs Computing kpt #: 165 total cpu time spent up to now is 603.2 secs Computing kpt #: 166 total cpu time spent up to now is 606.2 secs Computing kpt #: 167 total cpu time spent up to now is 609.8 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 614.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.8 secs Computing kpt #: 170 total cpu time spent up to now is 623.9 secs Computing kpt #: 171 total cpu time spent up to now is 626.9 secs Computing kpt #: 172 total cpu time spent up to now is 629.7 secs Computing kpt #: 173 total cpu time spent up to now is 632.1 secs Computing kpt #: 174 total cpu time spent up to now is 634.5 secs Computing kpt #: 175 total cpu time spent up to now is 636.9 secs Computing kpt #: 176 total cpu time spent up to now is 639.4 secs Computing kpt #: 177 total cpu time spent up to now is 641.8 secs Computing kpt #: 178 total cpu time spent up to now is 644.1 secs Computing kpt #: 179 total cpu time spent up to now is 646.6 secs Computing kpt #: 180 total cpu time spent up to now is 648.8 secs Computing kpt #: 181 total cpu time spent up to now is 651.0 secs Computing kpt #: 182 total cpu time spent up to now is 653.3 secs Computing kpt #: 183 total cpu time spent up to now is 655.6 secs Computing kpt #: 184 total cpu time spent up to now is 657.9 secs Computing kpt #: 185 total cpu time spent up to now is 660.1 secs Computing kpt #: 186 total cpu time spent up to now is 662.4 secs Computing kpt #: 187 total cpu time spent up to now is 664.9 secs Computing kpt #: 188 total cpu time spent up to now is 667.5 secs Computing kpt #: 189 total cpu time spent up to now is 670.2 secs Computing kpt #: 190 total cpu time spent up to now is 673.0 secs Computing kpt #: 191 total cpu time spent up to now is 676.0 secs Computing kpt #: 192 total cpu time spent up to now is 680.3 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 685.3 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.3 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.2 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.4 secs Computing kpt #: 197 total cpu time spent up to now is 704.9 secs Computing kpt #: 198 total cpu time spent up to now is 709.0 secs Computing kpt #: 199 total cpu time spent up to now is 712.4 secs Computing kpt #: 200 total cpu time spent up to now is 715.5 secs Computing kpt #: 201 total cpu time spent up to now is 718.4 secs Computing kpt #: 202 total cpu time spent up to now is 721.2 secs Computing kpt #: 203 total cpu time spent up to now is 724.0 secs Computing kpt #: 204 total cpu time spent up to now is 726.6 secs Computing kpt #: 205 total cpu time spent up to now is 729.2 secs Computing kpt #: 206 total cpu time spent up to now is 731.7 secs Computing kpt #: 207 total cpu time spent up to now is 734.3 secs Computing kpt #: 208 total cpu time spent up to now is 736.8 secs Computing kpt #: 209 total cpu time spent up to now is 739.5 secs Computing kpt #: 210 total cpu time spent up to now is 742.2 secs Computing kpt #: 211 total cpu time spent up to now is 744.6 secs Computing kpt #: 212 total cpu time spent up to now is 747.2 secs Computing kpt #: 213 total cpu time spent up to now is 749.7 secs Computing kpt #: 214 total cpu time spent up to now is 752.3 secs Computing kpt #: 215 total cpu time spent up to now is 754.8 secs Computing kpt #: 216 total cpu time spent up to now is 757.4 secs Computing kpt #: 217 total cpu time spent up to now is 760.0 secs Computing kpt #: 218 total cpu time spent up to now is 762.5 secs Computing kpt #: 219 total cpu time spent up to now is 765.2 secs Computing kpt #: 220 total cpu time spent up to now is 767.9 secs Computing kpt #: 221 total cpu time spent up to now is 770.6 secs Computing kpt #: 222 total cpu time spent up to now is 773.3 secs Computing kpt #: 223 total cpu time spent up to now is 775.9 secs Computing kpt #: 224 total cpu time spent up to now is 778.7 secs Computing kpt #: 225 total cpu time spent up to now is 781.6 secs Computing kpt #: 226 total cpu time spent up to now is 784.4 secs Computing kpt #: 227 total cpu time spent up to now is 787.3 secs Computing kpt #: 228 total cpu time spent up to now is 790.3 secs Computing kpt #: 229 total cpu time spent up to now is 793.2 secs Computing kpt #: 230 total cpu time spent up to now is 796.2 secs Computing kpt #: 231 total cpu time spent up to now is 799.0 secs Computing kpt #: 232 total cpu time spent up to now is 802.0 secs Computing kpt #: 233 total cpu time spent up to now is 804.7 secs Computing kpt #: 234 total cpu time spent up to now is 807.6 secs Computing kpt #: 235 total cpu time spent up to now is 810.9 secs Computing kpt #: 236 total cpu time spent up to now is 814.4 secs Computing kpt #: 237 total cpu time spent up to now is 818.6 secs Computing kpt #: 238 total cpu time spent up to now is 823.4 secs Computing kpt #: 239 total cpu time spent up to now is 826.5 secs Computing kpt #: 240 total cpu time spent up to now is 829.7 secs Computing kpt #: 241 total cpu time spent up to now is 832.6 secs Computing kpt #: 242 total cpu time spent up to now is 835.5 secs Computing kpt #: 243 total cpu time spent up to now is 838.5 secs Computing kpt #: 244 total cpu time spent up to now is 841.4 secs Computing kpt #: 245 total cpu time spent up to now is 844.4 secs Computing kpt #: 246 total cpu time spent up to now is 847.0 secs Computing kpt #: 247 total cpu time spent up to now is 849.9 secs Computing kpt #: 248 total cpu time spent up to now is 852.8 secs Computing kpt #: 249 total cpu time spent up to now is 855.9 secs Computing kpt #: 250 total cpu time spent up to now is 859.0 secs Computing kpt #: 251 total cpu time spent up to now is 861.9 secs Computing kpt #: 252 total cpu time spent up to now is 865.0 secs Computing kpt #: 253 total cpu time spent up to now is 868.1 secs Computing kpt #: 254 total cpu time spent up to now is 871.4 secs Computing kpt #: 255 total cpu time spent up to now is 876.5 secs Computing kpt #: 256 total cpu time spent up to now is 879.6 secs Computing kpt #: 257 total cpu time spent up to now is 882.6 secs Computing kpt #: 258 total cpu time spent up to now is 885.6 secs Computing kpt #: 259 total cpu time spent up to now is 888.2 secs Computing kpt #: 260 total cpu time spent up to now is 890.8 secs Computing kpt #: 261 total cpu time spent up to now is 893.3 secs Computing kpt #: 262 total cpu time spent up to now is 895.7 secs Computing kpt #: 263 total cpu time spent up to now is 898.0 secs Computing kpt #: 264 total cpu time spent up to now is 901.3 secs Computing kpt #: 265 total cpu time spent up to now is 904.7 secs Computing kpt #: 266 total cpu time spent up to now is 907.2 secs Computing kpt #: 267 total cpu time spent up to now is 909.5 secs Computing kpt #: 268 total cpu time spent up to now is 911.7 secs Computing kpt #: 269 total cpu time spent up to now is 914.0 secs Computing kpt #: 270 total cpu time spent up to now is 916.3 secs Computing kpt #: 271 total cpu time spent up to now is 918.6 secs Computing kpt #: 272 total cpu time spent up to now is 920.9 secs Computing kpt #: 273 total cpu time spent up to now is 923.1 secs Computing kpt #: 274 total cpu time spent up to now is 925.5 secs Computing kpt #: 275 total cpu time spent up to now is 927.8 secs Computing kpt #: 276 total cpu time spent up to now is 930.1 secs Computing kpt #: 277 total cpu time spent up to now is 932.3 secs Computing kpt #: 278 total cpu time spent up to now is 934.7 secs Computing kpt #: 279 total cpu time spent up to now is 937.0 secs Computing kpt #: 280 total cpu time spent up to now is 939.4 secs Computing kpt #: 281 total cpu time spent up to now is 941.8 secs Computing kpt #: 282 total cpu time spent up to now is 944.5 secs Computing kpt #: 283 total cpu time spent up to now is 947.3 secs Computing kpt #: 284 total cpu time spent up to now is 950.4 secs Computing kpt #: 285 total cpu time spent up to now is 953.6 secs Computing kpt #: 286 total cpu time spent up to now is 956.8 secs Computing kpt #: 287 total cpu time spent up to now is 959.9 secs Computing kpt #: 288 total cpu time spent up to now is 963.5 secs Computing kpt #: 289 total cpu time spent up to now is 967.0 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 971.9 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 976.8 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 981.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 986.8 secs Computing kpt #: 294 total cpu time spent up to now is 989.6 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.8 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.0 secs Computing kpt #: 297 total cpu time spent up to now is 1002.2 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1007.1 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1012.2 secs Computing kpt #: 300 total cpu time spent up to now is 1015.9 secs Computing kpt #: 301 total cpu time spent up to now is 1018.2 secs Computing kpt #: 302 total cpu time spent up to now is 1020.5 secs Computing kpt #: 303 total cpu time spent up to now is 1022.8 secs Computing kpt #: 304 total cpu time spent up to now is 1025.0 secs Computing kpt #: 305 total cpu time spent up to now is 1027.6 secs Computing kpt #: 306 total cpu time spent up to now is 1030.5 secs Computing kpt #: 307 total cpu time spent up to now is 1033.1 secs Computing kpt #: 308 total cpu time spent up to now is 1035.7 secs Computing kpt #: 309 total cpu time spent up to now is 1038.4 secs Computing kpt #: 310 total cpu time spent up to now is 1041.1 secs Computing kpt #: 311 total cpu time spent up to now is 1043.8 secs Computing kpt #: 312 total cpu time spent up to now is 1046.4 secs Computing kpt #: 313 total cpu time spent up to now is 1049.2 secs Computing kpt #: 314 total cpu time spent up to now is 1051.8 secs Computing kpt #: 315 total cpu time spent up to now is 1054.6 secs Computing kpt #: 316 total cpu time spent up to now is 1057.4 secs Computing kpt #: 317 total cpu time spent up to now is 1060.1 secs Computing kpt #: 318 total cpu time spent up to now is 1062.9 secs Computing kpt #: 319 total cpu time spent up to now is 1066.3 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1071.4 secs Computing kpt #: 321 total cpu time spent up to now is 1074.4 secs Computing kpt #: 322 total cpu time spent up to now is 1077.3 secs Computing kpt #: 323 total cpu time spent up to now is 1080.0 secs Computing kpt #: 324 total cpu time spent up to now is 1082.6 secs Computing kpt #: 325 total cpu time spent up to now is 1085.2 secs Computing kpt #: 326 total cpu time spent up to now is 1087.6 secs Computing kpt #: 327 total cpu time spent up to now is 1090.2 secs Computing kpt #: 328 total cpu time spent up to now is 1092.5 secs Computing kpt #: 329 total cpu time spent up to now is 1095.2 secs Computing kpt #: 330 total cpu time spent up to now is 1098.4 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1103.2 secs Computing kpt #: 332 total cpu time spent up to now is 1106.7 secs Computing kpt #: 333 total cpu time spent up to now is 1109.8 secs Computing kpt #: 334 total cpu time spent up to now is 1112.8 secs Computing kpt #: 335 total cpu time spent up to now is 1115.9 secs Computing kpt #: 336 total cpu time spent up to now is 1118.9 secs Computing kpt #: 337 total cpu time spent up to now is 1121.8 secs Computing kpt #: 338 total cpu time spent up to now is 1124.0 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1128.8 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.8 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.9 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1143.9 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1148.8 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1153.7 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1158.6 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1163.4 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1168.3 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.3 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.2 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1183.3 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1188.4 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1193.5 secs Computing kpt #: 353 total cpu time spent up to now is 1198.0 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1203.9 secs Computing kpt #: 355 total cpu time spent up to now is 1207.0 secs Computing kpt #: 356 total cpu time spent up to now is 1210.2 secs Computing kpt #: 357 total cpu time spent up to now is 1213.5 secs Computing kpt #: 358 total cpu time spent up to now is 1216.8 secs Computing kpt #: 359 total cpu time spent up to now is 1219.9 secs Computing kpt #: 360 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1224.8 secs Computing kpt #: 361 total cpu time spent up to now is 1228.1 secs Computing kpt #: 362 total cpu time spent up to now is 1231.2 secs Computing kpt #: 363 total cpu time spent up to now is 1234.7 secs Computing kpt #: 364 total cpu time spent up to now is 1238.1 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1243.1 secs Computing kpt #: 366 total cpu time spent up to now is 1247.5 secs Computing kpt #: 367 total cpu time spent up to now is 1250.6 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1255.6 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1260.7 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1265.8 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1270.9 secs Computing kpt #: 372 total cpu time spent up to now is 1273.5 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1278.6 secs Computing kpt #: 374 total cpu time spent up to now is 1280.8 secs ethr = 2.08E-11, avg # of iterations = 57.9 total cpu time spent up to now is 1281.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.7784 -13.7784 -13.2642 -13.2642 -10.6782 -10.6782 -9.1509 -9.1509 -8.7847 -8.7847 -8.7714 -8.7714 -3.2848 -3.2848 -3.2234 -3.2234 -2.7876 -2.7876 -0.6063 -0.6063 -0.2053 -0.2053 0.0799 0.0799 0.3579 0.3579 1.2334 1.2334 1.5254 1.5254 1.9302 1.9302 2.6881 2.6881 3.4695 3.4695 3.6446 3.6446 3.8288 3.8288 3.8587 3.8587 4.3209 4.3209 4.5332 4.5332 5.2224 5.2224 10.5541 10.5541 11.9297 11.9297 11.9358 11.9358 12.5852 12.5852 13.8996 13.8996 k = 0.0086 0.0140-0.0000 ( 4319 PWs) bands (ev): -13.7781 -13.7781 -13.2642 -13.2642 -10.6776 -10.6775 -9.1593 -9.1581 -8.7797 -8.7780 -8.7710 -8.7707 -3.3037 -3.3029 -3.2034 -3.2022 -2.7867 -2.7866 -0.6063 -0.6057 -0.2063 -0.2059 0.0780 0.0783 0.3573 0.3579 1.2373 1.2387 1.5237 1.5248 1.9283 1.9296 2.6879 2.6883 3.4670 3.4675 3.6448 3.6449 3.8206 3.8298 3.8537 3.8633 4.3225 4.3225 4.5333 4.5334 5.2217 5.2220 10.5572 10.5573 11.9308 11.9312 11.9368 11.9369 12.5855 12.5860 13.8928 13.8964 k = 0.0172 0.0280-0.0000 ( 4319 PWs) bands (ev): -13.7773 -13.7773 -13.2643 -13.2643 -10.6758 -10.6757 -9.1816 -9.1796 -8.7708 -8.7699 -8.7628 -8.7602 -3.3354 -3.3346 -3.1656 -3.1641 -2.7841 -2.7837 -0.6058 -0.6046 -0.2087 -0.2080 0.0727 0.0732 0.3565 0.3576 1.2502 1.2529 1.5197 1.5218 1.9240 1.9266 2.6876 2.6885 3.4601 3.4610 3.6454 3.6456 3.8073 3.8212 3.8510 3.8656 4.3271 4.3272 4.5337 4.5339 5.2198 5.2203 10.5668 10.5668 11.9344 11.9351 11.9399 11.9401 12.5869 12.5879 13.8495 13.8511 k = 0.0259 0.0420-0.0000 ( 4313 PWs) bands (ev): -13.7759 -13.7759 -13.2645 -13.2645 -10.6728 -10.6727 -9.2148 -9.2122 -8.7687 -8.7678 -8.7395 -8.7357 -3.3676 -3.3670 -3.1230 -3.1213 -2.7796 -2.7790 -0.6050 -0.6031 -0.2127 -0.2116 0.0642 0.0649 0.3561 0.3577 1.2714 1.2754 1.5134 1.5165 1.9173 1.9211 2.6874 2.6886 3.4490 3.4504 3.6464 3.6467 3.7894 3.8044 3.8493 3.8653 4.3345 4.3346 4.5343 4.5346 5.2168 5.2176 10.5826 10.5827 11.9405 11.9415 11.9451 11.9454 12.5894 12.5908 13.7898 13.7911 k = 0.0345 0.0560-0.0000 ( 4311 PWs) bands (ev): -13.7739 -13.7739 -13.2648 -13.2648 -10.6686 -10.6685 -9.2557 -9.2528 -8.7662 -8.7650 -8.7115 -8.7070 -3.3983 -3.3978 -3.0779 -3.0759 -2.7732 -2.7724 -0.6042 -0.6016 -0.2183 -0.2168 0.0529 0.0537 0.3569 0.3588 1.3002 1.3053 1.5047 1.5089 1.9082 1.9132 2.6870 2.6887 3.4341 3.4359 3.6479 3.6483 3.7671 3.7818 3.8465 3.8626 4.3441 4.3442 4.5352 4.5355 5.2127 5.2138 10.6047 10.6047 11.9489 11.9503 11.9524 11.9528 12.5930 12.5949 13.7237 13.7248 k = 0.0431 0.0700-0.0000 ( 4307 PWs) bands (ev): -13.7714 -13.7714 -13.2651 -13.2651 -10.6633 -10.6631 -9.3019 -9.2988 -8.7630 -8.7615 -8.6814 -8.6762 -3.4268 -3.4265 -3.0309 -3.0288 -2.7650 -2.7640 -0.6038 -0.6005 -0.2254 -0.2236 0.0393 0.0403 0.3598 0.3620 1.3353 1.3414 1.4938 1.4990 1.8967 1.9028 2.6865 2.6887 3.4157 3.4181 3.6497 3.6504 3.7403 3.7542 3.8424 3.8581 4.3552 4.3553 4.5364 4.5368 5.2077 5.2090 10.6327 10.6327 11.9595 11.9613 11.9616 11.9620 12.5977 12.6001 13.6550 13.6558 k = 0.0517 0.0840-0.0000 ( 4315 PWs) bands (ev): -13.7684 -13.7683 -13.2655 -13.2655 -10.6567 -10.6565 -9.3520 -9.3489 -8.7590 -8.7573 -8.6507 -8.6451 -3.4529 -3.4528 -2.9823 -2.9801 -2.7549 -2.7538 -0.6045 -0.6004 -0.2341 -0.2319 0.0247 0.0256 0.3653 0.3676 1.3758 1.3827 1.4806 1.4867 1.8828 1.8900 2.6859 2.6886 3.3945 3.3973 3.6518 3.6529 3.7093 3.7219 3.8368 3.8520 4.3672 4.3672 4.5378 4.5383 5.2019 5.2035 10.6666 10.6666 11.9716 11.9730 11.9734 11.9746 12.6036 12.6064 13.5855 13.5861 k = 0.0603 0.0980-0.0000 ( 4311 PWs) bands (ev): -13.7648 -13.7647 -13.2660 -13.2660 -10.6489 -10.6487 -9.4048 -9.4017 -8.7544 -8.7524 -8.6205 -8.6146 -3.4765 -3.4764 -2.9325 -2.9302 -2.7431 -2.7417 -0.6069 -0.6019 -0.2444 -0.2419 0.0103 0.0111 0.3737 0.3762 1.4205 1.4281 1.4651 1.4721 1.8665 1.8747 2.6850 2.6882 3.3708 3.3742 3.6523 3.6560 3.6762 3.6854 3.8301 3.8446 4.3793 4.3793 4.5396 4.5402 5.1955 5.1973 10.7061 10.7061 11.9845 11.9857 11.9881 11.9899 12.6107 12.6138 13.5166 13.5169 k = 0.0690 0.1120-0.0000 ( 4313 PWs) bands (ev): -13.7607 -13.7607 -13.2666 -13.2666 -10.6399 -10.6396 -9.4597 -9.4567 -8.7491 -8.7468 -8.5916 -8.5854 -3.4976 -3.4973 -2.8816 -2.8792 -2.7294 -2.7279 -0.6117 -0.6060 -0.2564 -0.2535 -0.0024 -0.0019 0.3851 0.3877 1.4470 1.4548 1.4690 1.4772 1.8478 1.8570 2.6837 2.6876 3.3454 3.3493 3.6297 3.6441 3.6604 3.6629 3.8224 3.8363 4.3908 4.3908 4.5417 4.5423 5.1886 5.1907 10.7510 10.7510 11.9986 11.9999 12.0050 12.0072 12.6189 12.6224 13.4491 13.4492 k = 0.0776 0.1260-0.0000 ( 4311 PWs) bands (ev): -13.7561 -13.7561 -13.2672 -13.2672 -10.6297 -10.6294 -9.5161 -9.5132 -8.7431 -8.7406 -8.5644 -8.5579 -3.5160 -3.5155 -2.8299 -2.8273 -2.7139 -2.7122 -0.6197 -0.6132 -0.2700 -0.2668 -0.0120 -0.0118 0.3995 0.4023 1.4270 1.4357 1.5196 1.5284 1.8269 1.8370 2.6820 2.6865 3.3187 3.3231 3.5878 3.6001 3.6646 3.6657 3.8139 3.8271 4.4011 4.4012 4.5441 4.5448 5.1814 5.1838 10.8009 10.8010 12.0140 12.0154 12.0237 12.0262 12.6285 12.6323 13.3837 13.3837 k = 0.0862 0.1400-0.0000 ( 4319 PWs) bands (ev): -13.7511 -13.7510 -13.2679 -13.2679 -10.6183 -10.6180 -9.5737 -9.5709 -8.7365 -8.7337 -8.5391 -8.5324 -3.5317 -3.5311 -2.7774 -2.7747 -2.6966 -2.6947 -0.6315 -0.6243 -0.2854 -0.2818 -0.0174 -0.0173 0.4169 0.4199 1.4045 1.4139 1.5722 1.5815 1.8037 1.8146 2.6798 2.6850 3.2910 3.2961 3.5415 3.5527 3.6698 3.6705 3.8045 3.8172 4.4097 4.4098 4.5469 4.5477 5.1741 5.1768 10.8556 10.8557 12.0304 12.0320 12.0442 12.0469 12.6394 12.6434 13.3207 13.3210 k = 0.0948 0.1540-0.0000 ( 4319 PWs) bands (ev): -13.7456 -13.7455 -13.2686 -13.2686 -10.6057 -10.6053 -9.6321 -9.6295 -8.7292 -8.7262 -8.5161 -8.5092 -3.5448 -3.5440 -2.7243 -2.7216 -2.6776 -2.6754 -0.6474 -0.6395 -0.3024 -0.2985 -0.0178 -0.0175 0.4373 0.4404 1.3797 1.3897 1.6262 1.6358 1.7785 1.7901 2.6770 2.6829 3.2629 3.2686 3.4923 3.5026 3.6758 3.6764 3.7945 3.8067 4.4160 4.4162 4.5500 4.5509 5.1669 5.1699 10.9148 10.9149 12.0476 12.0493 12.0661 12.0691 12.6517 12.6558 13.2609 13.2613 k = 0.1034 0.1680-0.0000 ( 4323 PWs) bands (ev): -13.7396 -13.7395 -13.2694 -13.2694 -10.5918 -10.5914 -9.6912 -9.6886 -8.7214 -8.7181 -8.4954 -8.4883 -3.5552 -3.5543 -2.6709 -2.6681 -2.6568 -2.6544 -0.6673 -0.6589 -0.3213 -0.3170 -0.0125 -0.0120 0.4604 0.4637 1.3524 1.3630 1.6809 1.6910 1.7513 1.7635 2.6733 2.6800 3.2344 3.2408 3.4409 3.4506 3.6826 3.6832 3.7838 3.7956 4.4197 4.4200 4.5535 4.5544 5.1599 5.1632 10.9780 10.9782 12.0652 12.0671 12.0895 12.0927 12.6655 12.6696 13.2045 13.2050 k = 0.1121 0.1820-0.0000 ( 4313 PWs) bands (ev): -13.7332 -13.7332 -13.2703 -13.2703 -10.5768 -10.5763 -9.7507 -9.7482 -8.7130 -8.7094 -8.4772 -8.4699 -3.5631 -3.5621 -2.6342 -2.6317 -2.6172 -2.6143 -0.6909 -0.6821 -0.3420 -0.3374 -0.0016 -0.0009 0.4864 0.4899 1.3226 1.3338 1.7220 1.7350 1.7363 1.7465 2.6688 2.6763 3.2057 3.2127 3.3883 3.3974 3.6904 3.6910 3.7725 3.7839 4.4204 4.4208 4.5575 4.5584 5.1533 5.1568 11.0449 11.0452 12.0830 12.0851 12.1142 12.1175 12.6808 12.6849 13.1518 13.1525 k = 0.1207 0.1960-0.0000 ( 4301 PWs) bands (ev): -13.7265 -13.7264 -13.2712 -13.2712 -10.5605 -10.5599 -9.8103 -9.8080 -8.7041 -8.7002 -8.4614 -8.4541 -3.5687 -3.5675 -2.6099 -2.6072 -2.5635 -2.5605 -0.7177 -0.7086 -0.3646 -0.3596 0.0148 0.0156 0.5151 0.5188 1.2903 1.3019 1.6915 1.7049 1.7913 1.8020 2.6633 2.6716 3.1763 3.1839 3.3356 3.3443 3.6992 3.6999 3.7607 3.7716 4.4180 4.4185 4.5618 4.5629 5.1470 5.1509 11.1152 11.1155 12.1005 12.1030 12.1402 12.1436 12.6977 12.7016 13.1032 13.1039 k = 0.1293 0.2100-0.0000 ( 4309 PWs) bands (ev): -13.7194 -13.7193 -13.2722 -13.2722 -10.5429 -10.5424 -9.8701 -9.8679 -8.6947 -8.6906 -8.4482 -8.4407 -3.5719 -3.5706 -2.5838 -2.5810 -2.5098 -2.5068 -0.7469 -0.7376 -0.3891 -0.3838 0.0360 0.0368 0.5465 0.5504 1.2553 1.2673 1.6595 1.6733 1.8461 1.8571 2.6567 2.6658 3.1451 3.1532 3.2847 3.2931 3.7087 3.7098 3.7487 3.7589 4.4122 4.4128 4.5667 4.5678 5.1411 5.1452 11.1883 11.1888 12.1176 12.1203 12.1673 12.1708 12.7161 12.7198 13.0589 13.0596 k = 0.1379 0.2240-0.0000 ( 4313 PWs) bands (ev): -13.7119 -13.7118 -13.2732 -13.2732 -10.5242 -10.5236 -9.9297 -9.9276 -8.6849 -8.6805 -8.4375 -8.4299 -3.5730 -3.5716 -2.5561 -2.5531 -2.4564 -2.4534 -0.7779 -0.7685 -0.4154 -0.4098 0.0616 0.0623 0.5806 0.5848 1.2177 1.2299 1.6264 1.6404 1.9002 1.9115 2.6490 2.6589 3.1104 3.1188 3.2381 3.2465 3.7179 3.7208 3.7376 3.7459 4.4030 4.4037 4.5720 4.5731 5.1355 5.1399 11.2639 11.2645 12.1338 12.1367 12.1956 12.1993 12.7359 12.7392 13.0195 13.0201 k = 0.1465 0.2380-0.0000 ( 4311 PWs) bands (ev): -13.7042 -13.7041 -13.2742 -13.2742 -10.5042 -10.5036 -9.9891 -9.9872 -8.6747 -8.6701 -8.4292 -8.4216 -3.5721 -3.5706 -2.5268 -2.5235 -2.4033 -2.4003 -0.8098 -0.8004 -0.4438 -0.4379 0.0908 0.0915 0.6174 0.6219 1.1772 1.1896 1.5924 1.6066 1.9535 1.9650 2.6401 2.6507 3.0700 3.0784 3.1984 3.2072 3.7168 3.7280 3.7374 3.7378 4.3905 4.3914 4.5778 4.5790 5.1300 5.1348 11.3415 11.3423 12.1487 12.1520 12.2252 12.2290 12.7566 12.7593 12.9855 12.9859 k = 0.1552 0.2520-0.0000 ( 4311 PWs) bands (ev): -13.6961 -13.6960 -13.2753 -13.2753 -10.4830 -10.4823 -10.0482 -10.0464 -8.6641 -8.6593 -8.4233 -8.4156 -3.5694 -3.5679 -2.4957 -2.4923 -2.3506 -2.3476 -0.8422 -0.8328 -0.4741 -0.4679 0.1232 0.1237 0.6568 0.6616 1.1339 1.1463 1.5578 1.5722 2.0057 2.0174 2.6301 2.6413 3.0232 3.0314 3.1670 3.1763 3.7045 3.7162 3.7490 3.7499 4.3747 4.3757 4.5842 4.5855 5.1246 5.1296 11.4205 11.4214 12.1622 12.1659 12.2563 12.2601 12.7771 12.7790 12.9583 12.9584 k = 0.1638 0.2660-0.0000 ( 4307 PWs) bands (ev): -13.6878 -13.6877 -13.2764 -13.2763 -10.4605 -10.4598 -10.1068 -10.1051 -8.6533 -8.6482 -8.4197 -8.4120 -3.5652 -3.5636 -2.4631 -2.4595 -2.2986 -2.2956 -0.8744 -0.8650 -0.5063 -0.4998 0.1580 0.1585 0.6989 0.7039 1.0877 1.1001 1.5228 1.5373 2.0566 2.0685 2.6189 2.6307 2.9715 2.9793 3.1428 3.1527 3.6904 3.7017 3.7643 3.7650 4.3559 4.3570 4.5912 4.5925 5.1190 5.1243 11.5003 11.5015 12.1740 12.1780 12.2889 12.2928 12.7953 12.7959 12.9396 12.9404 k = 0.1724 0.2800-0.0000 ( 4323 PWs) bands (ev): -13.6794 -13.6793 -13.2775 -13.2774 -10.4369 -10.4361 -10.1649 -10.1633 -8.6422 -8.6369 -8.4183 -8.4106 -3.5596 -3.5580 -2.4290 -2.4252 -2.2473 -2.2444 -0.9058 -0.8966 -0.5405 -0.5337 0.1949 0.1952 0.7435 0.7489 1.0385 1.0508 1.4878 1.5022 2.1059 2.1181 2.6067 2.6190 2.9169 2.9243 3.1240 3.1345 3.6755 3.6866 3.7814 3.7820 4.3341 4.3353 4.5987 4.6001 5.1131 5.1185 11.5802 11.5817 12.1840 12.1884 12.3233 12.3274 12.8064 12.8071 12.9338 12.9355 k = 0.1810 0.2940-0.0000 ( 4317 PWs) bands (ev): -13.6707 -13.6706 -13.2786 -13.2785 -10.4120 -10.4111 -10.2223 -10.2208 -8.6310 -8.6254 -8.4189 -8.4112 -3.5528 -3.5512 -2.3933 -2.3893 -2.1969 -2.1940 -0.9362 -0.9270 -0.5765 -0.5695 0.2334 0.2335 0.7907 0.7964 0.9864 0.9985 1.4528 1.4671 2.1537 2.1661 2.5937 2.6063 2.8611 2.8683 3.1092 3.1201 3.6601 3.6712 3.8003 3.8007 4.3096 4.3109 4.6069 4.6083 5.1065 5.1122 11.6595 11.6613 12.1921 12.1968 12.3598 12.3641 12.8084 12.8101 12.9435 12.9459 k = 0.1896 0.3080-0.0000 ( 4317 PWs) bands (ev): -13.6619 -13.6618 -13.2797 -13.2797 -10.3859 -10.3850 -10.2790 -10.2776 -8.6197 -8.6139 -8.4215 -8.4139 -3.5452 -3.5436 -2.3561 -2.3520 -2.1473 -2.1445 -0.9651 -0.9560 -0.6144 -0.6071 0.2730 0.2731 0.8404 0.8463 0.9314 0.9432 1.4180 1.4322 2.1998 2.2123 2.5799 2.5927 2.8053 2.8123 3.0974 3.1085 3.6444 3.6554 3.8208 3.8212 4.2826 4.2840 4.6158 4.6172 5.0992 5.1051 11.7373 11.7395 12.1983 12.2034 12.3986 12.4031 12.8050 12.8071 12.9662 12.9686 k = 0.1983 0.3220-0.0000 ( 4321 PWs) bands (ev): -13.6530 -13.6529 -13.2808 -13.2808 -10.3586 -10.3576 -10.3349 -10.3336 -8.6083 -8.6023 -8.4260 -8.4184 -3.5370 -3.5353 -2.3175 -2.3132 -2.0989 -2.0961 -0.9921 -0.9832 -0.6539 -0.6464 0.3132 0.3135 0.8735 0.8850 0.8925 0.8987 1.3836 1.3977 2.2440 2.2568 2.5655 2.5785 2.7503 2.7570 3.0878 3.0992 3.6284 3.6394 3.8431 3.8435 4.2534 4.2549 4.6253 4.6268 5.0909 5.0970 11.8128 11.8155 12.2026 12.2082 12.4395 12.4444 12.8012 12.8032 12.9971 12.9991 k = 0.2069 0.3360-0.0000 ( 4317 PWs) bands (ev): -13.6441 -13.6439 -13.2818 -13.2818 -10.3899 -10.3887 -10.3300 -10.3290 -8.5970 -8.5908 -8.4321 -8.4246 -3.5283 -3.5266 -2.2775 -2.2731 -2.0516 -2.0489 -1.0171 -1.0083 -0.6949 -0.6873 0.3539 0.3544 0.8129 0.8241 0.9468 0.9533 1.3498 1.3637 2.2864 2.2994 2.5507 2.5638 2.6965 2.7031 3.0800 3.0915 3.6122 3.6233 3.8672 3.8675 4.2221 4.2236 4.6355 4.6371 5.0816 5.0878 11.8851 11.8882 12.2053 12.2113 12.4818 12.4871 12.8009 12.8028 13.0331 13.0347 k = 0.2155 0.3500-0.0000 ( 4317 PWs) bands (ev): -13.6350 -13.6349 -13.2829 -13.2829 -10.4439 -10.4428 -10.3003 -10.2992 -8.5858 -8.5795 -8.4398 -8.4323 -3.5194 -3.5178 -2.2363 -2.2317 -2.0056 -2.0030 -1.0397 -1.0310 -0.7374 -0.7296 0.3947 0.3954 0.7496 0.7604 1.0032 1.0100 1.3164 1.3302 2.3269 2.3400 2.5357 2.5487 2.6444 2.6509 3.0736 3.0851 3.5960 3.6071 3.8931 3.8933 4.1889 4.1905 4.6465 4.6481 5.0710 5.0774 11.9533 11.9569 12.2066 12.2129 12.5239 12.5295 12.8078 12.8096 13.0724 13.0735 k = 0.2241 0.3639-0.0000 ( 4317 PWs) bands (ev): -13.6261 -13.6259 -13.2839 -13.2839 -10.4969 -10.4958 -10.2695 -10.2683 -8.5749 -8.5683 -8.4488 -8.4414 -3.5105 -3.5089 -2.1938 -2.1891 -1.9609 -1.9584 -1.0598 -1.0513 -0.7810 -0.7730 0.4354 0.4362 0.6839 0.6943 1.0616 1.0688 1.2836 1.2972 2.3655 2.3788 2.5205 2.5335 2.5942 2.6008 3.0682 3.0797 3.5798 3.5909 3.9207 3.9208 4.1540 4.1557 4.6582 4.6599 5.0591 5.0656 12.0169 12.0209 12.2067 12.2134 12.5626 12.5685 12.8259 12.8276 13.1139 13.1146 k = 0.2327 0.3779-0.0000 ( 4317 PWs) bands (ev): -13.6171 -13.6170 -13.2849 -13.2849 -10.5488 -10.5478 -10.2374 -10.2362 -8.5642 -8.5575 -8.4591 -8.4518 -3.5018 -3.5002 -2.1502 -2.1453 -1.9176 -1.9152 -1.0771 -1.0688 -0.8256 -0.8175 0.4755 0.4766 0.6159 0.6259 1.1219 1.1293 1.2514 1.2648 2.4022 2.4157 2.5051 2.5184 2.5463 2.5533 3.0634 3.0748 3.5638 3.5749 3.9500 3.9501 4.1177 4.1194 4.6707 4.6724 5.0459 5.0525 12.0752 12.0797 12.2057 12.2129 12.5946 12.6004 12.8591 12.8610 13.1553 13.1573 k = 0.2414 0.3919-0.0000 ( 4319 PWs) bands (ev): -13.6082 -13.6081 -13.2858 -13.2858 -10.5995 -10.5986 -10.2042 -10.2029 -8.5539 -8.5471 -8.4705 -8.4633 -3.4935 -3.4920 -2.1056 -2.1006 -1.8758 -1.8736 -1.0916 -1.0835 -0.8707 -0.8625 0.5150 0.5163 0.5458 0.5554 1.1837 1.1915 1.2197 1.2330 2.4372 2.4508 2.4878 2.4994 2.5049 2.5104 3.0591 3.0702 3.5480 3.5592 3.9809 3.9809 4.0801 4.0818 4.6840 4.6858 5.0313 5.0380 12.1281 12.1329 12.2041 12.2116 12.6183 12.6238 12.9088 12.9112 13.1033 13.1091 k = 0.2500 0.4059-0.0000 ( 4319 PWs) bands (ev): -13.5994 -13.5993 -13.2866 -13.2866 -10.6490 -10.6482 -10.1700 -10.1686 -8.5441 -8.5371 -8.4828 -8.4758 -3.4858 -3.4843 -2.0601 -2.0550 -1.8356 -1.8335 -1.1032 -1.0952 -0.9163 -0.9079 0.4737 0.4830 0.5536 0.5550 1.1885 1.2013 1.2473 1.2551 2.4570 2.4580 2.4699 2.4833 2.4838 2.4900 3.0548 3.0657 3.5327 3.5439 4.0132 4.0133 4.0414 4.0431 4.6981 4.6999 5.0154 5.0221 12.1753 12.1803 12.2021 12.2098 12.6357 12.6408 12.9733 12.9761 13.0340 13.0391 k = 0.2586 0.4199-0.0000 ( 4325 PWs) bands (ev): -13.5908 -13.5907 -13.2874 -13.2874 -10.6973 -10.6965 -10.1346 -10.1331 -8.5349 -8.5278 -8.4960 -8.4891 -3.4788 -3.4774 -2.0140 -2.0088 -1.7969 -1.7950 -1.1118 -1.1040 -0.9617 -0.9533 0.4001 0.4089 0.5909 0.5926 1.1576 1.1704 1.3118 1.3200 2.4166 2.4194 2.4669 2.4752 2.5023 2.5162 3.0504 3.0609 3.5178 3.5291 4.0017 4.0031 4.0471 4.0474 4.7129 4.7149 4.9981 5.0049 12.1990 12.2070 12.2172 12.2223 12.6499 12.6546 12.9633 12.9680 13.0490 13.0522 k = 0.2672 0.4339-0.0000 ( 4327 PWs) bands (ev): -13.5824 -13.5822 -13.2881 -13.2881 -10.7442 -10.7435 -10.0982 -10.0966 -8.5264 -8.5191 -8.5098 -8.5031 -3.4727 -3.4712 -1.9674 -1.9621 -1.7600 -1.7581 -1.1173 -1.1097 -1.0066 -0.9981 0.3250 0.3334 0.6269 0.6288 1.1270 1.1397 1.3773 1.3858 2.3787 2.3818 2.4537 2.4618 2.5322 2.5463 3.0455 3.0557 3.5036 3.5150 3.9613 3.9626 4.0822 4.0825 4.7286 4.7307 4.9796 4.9863 12.1963 12.2050 12.2518 12.2571 12.6641 12.6684 12.8928 12.8971 13.1327 13.1361 k = 0.2758 0.4479-0.0000 ( 4325 PWs) bands (ev): -13.5741 -13.5740 -13.2886 -13.2886 -10.7898 -10.7891 -10.0607 -10.0591 -8.5242 -8.5187 -8.5177 -8.5113 -3.4674 -3.4660 -1.9207 -1.9153 -1.7247 -1.7230 -1.1199 -1.1124 -1.0503 -1.0418 0.2487 0.2567 0.6614 0.6634 1.0966 1.1092 1.4435 1.4523 2.3434 2.3465 2.4416 2.4492 2.5607 2.5750 3.0400 3.0497 3.4902 3.5017 3.9203 3.9215 4.1184 4.1189 4.7451 4.7473 4.9598 4.9666 12.1934 12.2024 12.2799 12.2852 12.6808 12.6846 12.8234 12.8275 13.2218 13.2254 k = 0.2845 0.4619-0.0000 ( 4327 PWs) bands (ev): -13.5661 -13.5660 -13.2891 -13.2891 -10.8340 -10.8333 -10.0223 -10.0206 -8.5390 -8.5327 -8.5118 -8.5043 -3.4631 -3.4617 -1.8743 -1.8689 -1.6911 -1.6895 -1.1197 -1.1121 -1.0921 -1.0838 0.1714 0.1790 0.6941 0.6963 1.0662 1.0787 1.5103 1.5193 2.3109 2.3137 2.4305 2.4374 2.5879 2.6023 3.0337 3.0429 3.4777 3.4892 3.8789 3.8798 4.1556 4.1562 4.7624 4.7647 4.9390 4.9457 12.1903 12.1995 12.3008 12.3059 12.7016 12.7049 12.7564 12.7602 13.3143 13.3176 k = 0.2931 0.4759-0.0000 ( 4319 PWs) bands (ev): -13.5584 -13.5583 -13.2894 -13.2894 -10.8767 -10.8761 -9.9830 -9.9811 -8.5541 -8.5480 -8.5060 -8.4984 -3.4598 -3.4584 -1.8287 -1.8234 -1.6592 -1.6577 -1.1331 -1.1233 -1.1150 -1.1090 0.0935 0.1007 0.7250 0.7273 1.0357 1.0481 1.5773 1.5866 2.2810 2.2836 2.4204 2.4265 2.6137 2.6283 3.0263 3.0349 3.4661 3.4778 3.8373 3.8379 4.1936 4.1945 4.7805 4.7828 4.9172 4.9239 12.1868 12.1963 12.3144 12.3192 12.6923 12.6961 12.7274 12.7305 13.4064 13.4090 k = 0.3017 0.4899-0.0000 ( 4327 PWs) bands (ev): -13.5510 -13.5508 -13.2896 -13.2896 -10.9180 -10.9174 -9.9428 -9.9408 -8.5693 -8.5634 -8.5012 -8.4935 -3.4574 -3.4561 -1.7849 -1.7797 -1.6289 -1.6276 -1.1685 -1.1591 -1.1095 -1.1032 0.0152 0.0220 0.7538 0.7563 1.0050 1.0172 1.6443 1.6539 2.2538 2.2561 2.4113 2.4165 2.6383 2.6530 3.0178 3.0256 3.4555 3.4673 3.7957 3.7959 4.2323 4.2333 4.7992 4.8017 4.8945 4.9012 12.1827 12.1923 12.3210 12.3254 12.6329 12.6363 12.7585 12.7610 13.4814 13.4823 k = 0.3103 0.5039-0.0000 ( 4311 PWs) bands (ev): -13.5439 -13.5437 -13.2897 -13.2897 -10.9577 -10.9572 -9.9017 -9.8997 -8.5847 -8.5790 -8.4976 -8.4899 -3.4561 -3.4548 -1.7441 -1.7390 -1.6003 -1.5991 -1.1994 -1.1899 -1.1011 -1.0948 -0.0633 -0.0569 0.7805 0.7831 0.9738 0.9860 1.7110 1.7209 2.2293 2.2312 2.4034 2.4076 2.6618 2.6766 3.0080 3.0151 3.4460 3.4580 3.7541 3.7545 4.2715 4.2727 4.8187 4.8214 4.8711 4.8777 12.1776 12.1871 12.3213 12.3253 12.5788 12.5819 12.7945 12.7965 13.5264 13.5274 k = 0.3189 0.5179-0.0000 ( 4315 PWs) bands (ev): -13.5371 -13.5370 -13.2897 -13.2897 -10.9959 -10.9954 -9.8599 -9.8578 -8.6000 -8.5946 -8.4953 -8.4876 -3.4558 -3.4545 -1.7079 -1.7030 -1.5732 -1.5721 -1.2234 -1.2137 -1.0902 -1.0842 -0.1416 -0.1356 0.8051 0.8078 0.9421 0.9542 1.7773 1.7874 2.2074 2.2088 2.3966 2.3997 2.6841 2.6991 2.9969 3.0031 3.4373 3.4496 3.7126 3.7137 4.3109 4.3123 4.8389 4.8416 4.8471 4.8537 12.1706 12.1798 12.3162 12.3199 12.5314 12.5339 12.8349 12.8364 13.5628 13.5640 k = 0.3276 0.5319-0.0000 ( 4311 PWs) bands (ev): -13.5307 -13.5306 -13.2895 -13.2895 -11.0325 -11.0320 -9.8174 -9.8151 -8.6152 -8.6100 -8.4944 -8.4867 -3.4563 -3.4551 -1.6784 -1.6738 -1.5476 -1.5466 -1.2384 -1.2284 -1.0772 -1.0715 -0.2195 -0.2139 0.8274 0.8301 0.9098 0.9218 1.8428 1.8532 2.1880 2.1891 2.3909 2.3930 2.7053 2.7204 2.9844 2.9897 3.4293 3.4420 3.6719 3.6739 4.3504 4.3520 4.8228 4.8291 4.8596 4.8626 12.1610 12.1696 12.3069 12.3102 12.4921 12.4937 12.8788 12.8799 13.5960 13.5972 k = 0.3362 0.5459-0.0000 ( 4317 PWs) bands (ev): -13.5247 -13.5245 -13.2892 -13.2892 -11.0674 -11.0671 -9.7743 -9.7719 -8.6302 -8.6252 -8.4950 -8.4872 -3.4576 -3.4565 -1.6578 -1.6534 -1.5235 -1.5226 -1.2420 -1.2317 -1.0625 -1.0570 -0.2967 -0.2914 0.8474 0.8501 0.8767 0.8885 1.9073 1.9180 2.1711 2.1718 2.3864 2.3874 2.7255 2.7406 2.9706 2.9748 3.4217 3.4350 3.6324 3.6355 4.3898 4.3916 4.7981 4.8043 4.8809 4.8840 12.1481 12.1556 12.2941 12.2971 12.4620 12.4624 12.9256 12.9264 13.5617 13.5669 k = 0.3448 0.5599-0.0000 ( 4313 PWs) bands (ev): -13.5190 -13.5189 -13.2888 -13.2887 -11.1008 -11.1004 -9.7306 -9.7281 -8.6449 -8.6401 -8.4971 -8.4894 -3.4597 -3.4586 -1.6471 -1.6430 -1.5008 -1.4999 -1.2331 -1.2226 -1.0462 -1.0410 -0.3728 -0.3679 0.8421 0.8537 0.8659 0.8685 1.9706 1.9815 2.1566 2.1568 2.3830 2.3832 2.7444 2.7596 2.9554 2.9586 3.4139 3.4281 3.5945 3.5991 4.4288 4.4308 4.7734 4.7794 4.9026 4.9058 12.1315 12.1377 12.2787 12.2814 12.4406 12.4416 12.9749 12.9754 13.4800 13.4853 k = 0.3448 0.5599-0.0000 ( 4313 PWs) bands (ev): -13.5190 -13.5189 -13.2888 -13.2887 -11.1008 -11.1004 -9.7306 -9.7281 -8.6449 -8.6401 -8.4971 -8.4894 -3.4597 -3.4586 -1.6471 -1.6430 -1.5008 -1.4999 -1.2331 -1.2226 -1.0462 -1.0410 -0.3728 -0.3679 0.8421 0.8537 0.8659 0.8685 1.9706 1.9815 2.1566 2.1568 2.3830 2.3832 2.7444 2.7596 2.9554 2.9586 3.4139 3.4281 3.5945 3.5991 4.4288 4.4308 4.7734 4.7794 4.9026 4.9058 12.1315 12.1377 12.2787 12.2814 12.4406 12.4416 12.9749 12.9754 13.4800 13.4853 k = 0.3284 0.5599-0.0000 ( 4315 PWs) bands (ev): -13.5221 -13.5220 -13.2891 -13.2891 -11.0827 -11.0824 -9.7539 -9.7515 -8.6373 -8.6324 -8.4957 -8.4879 -3.4582 -3.4570 -1.6667 -1.6630 -1.5012 -1.5006 -1.2388 -1.2284 -1.0526 -1.0473 -0.3321 -0.3270 0.8484 0.8531 0.8688 0.8785 1.9361 1.9469 2.1648 2.1653 2.3840 2.3844 2.7345 2.7496 2.9645 2.9683 3.4179 3.4316 3.6145 3.6184 4.4086 4.4105 4.7852 4.7912 4.8926 4.8957 12.1397 12.1465 12.2868 12.2898 12.4506 12.4511 12.9489 12.9496 13.5135 13.5183 k = 0.3120 0.5599-0.0000 ( 4315 PWs) bands (ev): -13.5256 -13.5255 -13.2896 -13.2895 -11.0628 -11.0624 -9.7778 -9.7755 -8.6296 -8.6246 -8.4944 -8.4867 -3.4560 -3.4548 -1.7106 -1.7076 -1.4890 -1.4878 -1.2401 -1.2301 -1.0536 -1.0482 -0.2893 -0.2841 0.8347 0.8383 0.8918 0.9029 1.8984 1.9091 2.1748 2.1758 2.3832 2.3842 2.7247 2.7395 2.9750 2.9792 3.4214 3.4346 3.6356 3.6390 4.3889 4.3907 4.7935 4.7990 4.8872 4.8896 12.1462 12.1535 12.2929 12.2963 12.4624 12.4635 12.9236 12.9244 13.5239 13.5275 k = 0.2955 0.5599-0.0000 ( 4320 PWs) bands (ev): -13.5295 -13.5294 -13.2902 -13.2902 -11.0410 -11.0406 -9.8024 -9.8001 -8.6220 -8.6169 -8.4933 -8.4856 -3.4530 -3.4518 -1.7661 -1.7636 -1.4766 -1.4746 -1.2380 -1.2286 -1.0479 -1.0424 -0.2451 -0.2398 0.8173 0.8206 0.9188 0.9303 1.8581 1.8686 2.1862 2.1879 2.3803 2.3818 2.7159 2.7304 2.9867 2.9911 3.4241 3.4370 3.6570 3.6600 4.3703 4.3718 4.7961 4.8005 4.8884 4.8897 12.1524 12.1601 12.2963 12.3003 12.4758 12.4778 12.8992 12.9001 13.5178 13.5203 k = 0.2791 0.5599-0.0000 ( 4318 PWs) bands (ev): -13.5336 -13.5335 -13.2910 -13.2909 -11.0174 -11.0170 -9.8276 -9.8254 -8.6144 -8.6091 -8.4924 -8.4846 -3.4491 -3.4478 -1.8270 -1.8249 -1.4687 -1.4661 -1.2344 -1.2260 -1.0339 -1.0286 -0.1999 -0.1945 0.7979 0.8008 0.9486 0.9602 1.8153 1.8258 2.1982 2.2008 2.3750 2.3770 2.7091 2.7230 2.9991 3.0038 3.4262 3.4387 3.6779 3.6807 4.3532 4.3545 4.7926 4.7958 4.8958 4.8966 12.1593 12.1673 12.2971 12.3016 12.4899 12.4927 12.8755 12.8765 13.5064 13.5083 k = 0.2627 0.5599-0.0000 ( 4319 PWs) bands (ev): -13.5379 -13.5378 -13.2919 -13.2919 -10.9923 -10.9918 -9.8535 -9.8513 -8.6068 -8.6015 -8.4916 -8.4839 -3.4441 -3.4429 -1.8906 -1.8888 -1.4660 -1.4629 -1.2313 -1.2241 -1.0113 -1.0062 -0.1543 -0.1488 0.7768 0.7796 0.9808 0.9925 1.7704 1.7808 2.2096 2.2136 2.3672 2.3700 2.7048 2.7179 3.0121 3.0169 3.4273 3.4396 3.6974 3.7003 4.3381 4.3392 4.7848 4.7869 4.9072 4.9088 12.1675 12.1757 12.2961 12.3010 12.5035 12.5069 12.8526 12.8537 13.4951 13.4967 k = 0.2463 0.5599-0.0000 ( 4320 PWs) bands (ev): -13.5423 -13.5422 -13.2929 -13.2929 -10.9657 -10.9652 -9.8800 -9.8778 -8.5994 -8.5940 -8.4909 -8.4833 -3.4381 -3.4368 -1.9554 -1.9539 -1.4674 -1.4640 -1.2301 -1.2241 -0.9807 -0.9758 -0.1087 -0.1032 0.7548 0.7574 1.0152 1.0270 1.7236 1.7339 2.2189 2.2247 2.3582 2.3621 2.7031 2.7153 3.0256 3.0305 3.4274 3.4395 3.7149 3.7179 4.3256 4.3264 4.7745 4.7761 4.9210 4.9233 12.1773 12.1858 12.2940 12.2992 12.5156 12.5194 12.8305 12.8317 13.4857 13.4871 k = 0.2299 0.5599-0.0000 ( 4327 PWs) bands (ev): -13.5468 -13.5467 -13.2941 -13.2940 -10.9378 -10.9373 -9.9071 -9.9050 -8.5921 -8.5866 -8.4904 -8.4828 -3.4308 -3.4295 -2.0206 -2.0192 -1.4717 -1.4682 -1.2311 -1.2260 -0.9437 -0.9391 -0.0637 -0.0583 0.7325 0.7348 1.0515 1.0634 1.6752 1.6854 2.2229 2.2310 2.3508 2.3562 2.7040 2.7152 3.0394 3.0443 3.4264 3.4383 3.7298 3.7330 4.3158 4.3165 4.7634 4.7647 4.9361 4.9388 12.1890 12.1976 12.2913 12.2968 12.5254 12.5296 12.8092 12.8105 13.4784 13.4799 k = 0.2135 0.5599-0.0000 ( 4335 PWs) bands (ev): -13.5512 -13.5511 -13.2953 -13.2953 -10.9088 -10.9082 -9.9348 -9.9328 -8.5850 -8.5794 -8.4900 -8.4826 -3.4223 -3.4210 -2.0854 -2.0842 -1.4779 -1.4744 -1.2336 -1.2294 -0.9024 -0.8979 -0.0199 -0.0147 0.7107 0.7128 1.0896 1.1015 1.6254 1.6355 2.2185 2.2286 2.3491 2.3557 2.7069 2.7173 3.0533 3.0582 3.4242 3.4359 3.7417 3.7452 4.3090 4.3096 4.7523 4.7534 4.9515 4.9545 12.2025 12.2113 12.2888 12.2945 12.5324 12.5370 12.7887 12.7901 13.4727 13.4743 k = 0.1970 0.5599-0.0000 ( 4340 PWs) bands (ev): -13.5555 -13.5554 -13.2966 -13.2966 -10.8787 -10.8782 -9.9630 -9.9611 -8.5781 -8.5725 -8.4898 -8.4824 -3.4125 -3.4111 -2.1493 -2.1482 -1.4851 -1.4818 -1.2371 -1.2336 -0.8582 -0.8540 0.0219 0.0268 0.6904 0.6921 1.1292 1.1410 1.5744 1.5844 2.2040 2.2152 2.3556 2.3624 2.7114 2.7209 3.0674 3.0722 3.4206 3.4321 3.7506 3.7543 4.3050 4.3058 4.7417 4.7428 4.9668 4.9699 12.2174 12.2264 12.2871 12.2930 12.5366 12.5415 12.7690 12.7706 13.4664 13.4683 k = 0.1806 0.5599-0.0000 ( 4334 PWs) bands (ev): -13.5597 -13.5596 -13.2979 -13.2979 -10.8479 -10.8473 -9.9917 -9.9898 -8.5714 -8.5658 -8.4897 -8.4825 -3.4014 -3.4000 -2.2118 -2.2108 -1.4929 -1.4897 -1.2412 -1.2382 -0.8125 -0.8084 0.0606 0.0652 0.6727 0.6741 1.1699 1.1817 1.5226 1.5325 2.1810 2.1925 2.3689 2.3753 2.7167 2.7254 3.0814 3.0862 3.4155 3.4267 3.7566 3.7605 4.3038 4.3048 4.7321 4.7331 4.9815 4.9846 12.2330 12.2422 12.2872 12.2935 12.5380 12.5430 12.7501 12.7518 13.4565 13.4586 k = 0.1642 0.5599-0.0000 ( 4342 PWs) bands (ev): -13.5637 -13.5636 -13.2993 -13.2992 -10.8165 -10.8159 -10.0207 -10.0189 -8.5650 -8.5595 -8.4897 -8.4826 -3.3890 -3.3877 -2.2723 -2.2714 -1.5008 -1.4977 -1.2455 -1.2429 -0.7661 -0.7622 0.0950 0.0990 0.6591 0.6603 1.2113 1.2231 1.4703 1.4801 2.1518 2.1633 2.3863 2.3921 2.7224 2.7304 3.0954 3.1001 3.4090 3.4199 3.7600 3.7640 4.3048 4.3060 4.7236 4.7246 4.9954 4.9984 12.2473 12.2562 12.2914 12.2982 12.5368 12.5419 12.7320 12.7338 13.4396 13.4420 k = 0.1478 0.5599-0.0000 ( 4342 PWs) bands (ev): -13.5674 -13.5673 -13.3005 -13.3005 -10.7849 -10.7842 -10.0499 -10.0482 -8.5590 -8.5535 -8.4899 -8.4830 -3.3755 -3.3742 -2.3305 -2.3296 -1.5084 -1.5056 -1.2497 -1.2475 -0.7200 -0.7162 0.1236 0.1270 0.6512 0.6526 1.2523 1.2640 1.4186 1.4283 2.1184 2.1299 2.4058 2.4111 2.7279 2.7354 3.1093 3.1139 3.4010 3.4114 3.7614 3.7654 4.3075 4.3088 4.7164 4.7174 5.0083 5.0112 12.2572 12.2649 12.3031 12.3100 12.5335 12.5386 12.7145 12.7166 13.4162 13.4188 k = 0.1314 0.5599-0.0000 ( 4338 PWs) bands (ev): -13.5709 -13.5708 -13.3018 -13.3017 -10.7531 -10.7525 -10.0791 -10.0776 -8.5533 -8.5479 -8.4901 -8.4835 -3.3611 -3.3598 -2.3857 -2.3849 -1.5157 -1.5132 -1.2537 -1.2518 -0.6747 -0.6713 0.1452 0.1478 0.6506 0.6528 1.2881 1.2994 1.3721 1.3823 2.0822 2.0936 2.4263 2.4311 2.7330 2.7399 3.1230 3.1275 3.3916 3.4015 3.7614 3.7653 4.3113 4.3126 4.7107 4.7117 5.0201 5.0229 12.2624 12.2688 12.3218 12.3289 12.5285 12.5335 12.6977 12.6999 13.3891 13.3918 k = 0.1149 0.5599-0.0000 ( 4337 PWs) bands (ev): -13.5740 -13.5739 -13.3029 -13.3029 -10.7217 -10.7210 -10.1081 -10.1066 -8.5479 -8.5427 -8.4905 -8.4842 -3.3460 -3.3448 -2.4373 -2.4366 -1.5224 -1.5202 -1.2573 -1.2557 -0.6312 -0.6279 0.1588 0.1605 0.6588 0.6619 1.2860 1.2957 1.3637 1.3750 2.0440 2.0553 2.4469 2.4512 2.7372 2.7436 3.1365 3.1408 3.3810 3.3904 3.7604 3.7640 4.3155 4.3169 4.7064 4.7073 5.0307 5.0332 12.2652 12.2707 12.3447 12.3519 12.5225 12.5273 12.6811 12.6837 13.3610 13.3638 k = 0.0985 0.5599-0.0000 ( 4337 PWs) bands (ev): -13.5768 -13.5767 -13.3040 -13.3040 -10.6911 -10.6904 -10.1364 -10.1351 -8.5430 -8.5381 -8.4909 -8.4850 -3.3307 -3.3296 -2.4849 -2.4842 -1.5284 -1.5265 -1.2606 -1.2592 -0.5901 -0.5871 0.1645 0.1654 0.6761 0.6802 1.2408 1.2498 1.3984 1.4096 2.0046 2.0157 2.4668 2.4707 2.7405 2.7463 3.1497 3.1539 3.3696 3.3782 3.7590 3.7623 4.3197 4.3210 4.7034 4.7043 5.0399 5.0422 12.2671 12.2720 12.3696 12.3767 12.5161 12.5206 12.6646 12.6675 13.3339 13.3366 k = 0.0821 0.5599-0.0000 ( 4341 PWs) bands (ev): -13.5792 -13.5792 -13.3049 -13.3049 -10.6619 -10.6612 -10.1636 -10.1624 -8.5386 -8.5340 -8.4913 -8.4859 -3.3156 -3.3146 -2.5275 -2.5269 -1.5337 -1.5320 -1.2634 -1.2623 -0.5522 -0.5496 0.1634 0.1638 0.7020 0.7070 1.1883 1.1971 1.4397 1.4507 1.9648 1.9756 2.4854 2.4889 2.7429 2.7481 3.1624 3.1664 3.3577 3.3655 3.7574 3.7603 4.3236 4.3247 4.7016 4.7023 5.0479 5.0499 12.2690 12.2732 12.3952 12.4021 12.5104 12.5143 12.6479 12.6510 13.3089 13.3113 k = 0.0657 0.5599-0.0000 ( 4345 PWs) bands (ev): -13.5812 -13.5812 -13.3057 -13.3057 -10.6348 -10.6342 -10.1888 -10.1877 -8.5347 -8.5306 -8.4917 -8.4870 -3.3015 -3.3007 -2.5644 -2.5638 -1.5380 -1.5367 -1.2657 -1.2648 -0.5187 -0.5164 0.1577 0.1578 0.7351 0.7408 1.1347 1.1433 1.4814 1.4918 1.9256 1.9359 2.5021 2.5051 2.7445 2.7488 3.1744 3.1781 3.3459 3.3528 3.7560 3.7583 4.3268 4.3278 4.7006 4.7013 5.0544 5.0560 12.2708 12.2743 12.4200 12.4265 12.5066 12.5095 12.6305 12.6341 13.2870 13.2890 k = 0.0493 0.5599-0.0000 ( 4344 PWs) bands (ev): -13.5828 -13.5827 -13.3063 -13.3063 -10.6111 -10.6106 -10.2110 -10.2101 -8.5313 -8.5280 -8.4919 -8.4881 -3.2892 -3.2885 -2.5946 -2.5941 -1.5414 -1.5404 -1.2674 -1.2668 -0.4906 -0.4888 0.1496 0.1499 0.7738 0.7801 1.0814 1.0896 1.5211 1.5306 1.8884 1.8978 2.5163 2.5187 2.7453 2.7488 3.1854 3.1887 3.3351 3.3407 3.7548 3.7566 4.3294 4.3301 4.7003 4.7008 5.0596 5.0608 12.2725 12.2753 12.4418 12.4471 12.5072 12.5086 12.6124 12.6162 13.2689 13.2706 k = 0.0328 0.5599-0.0000 ( 4346 PWs) bands (ev): -13.5839 -13.5839 -13.3068 -13.3068 -10.5922 -10.5918 -10.2287 -10.2281 -8.5287 -8.5262 -8.4920 -8.4892 -3.2794 -3.2789 -2.6170 -2.6167 -1.5438 -1.5431 -1.2687 -1.2683 -0.4691 -0.4679 0.1418 0.1422 0.8163 0.8228 1.0293 1.0371 1.5566 1.5644 1.8559 1.8636 2.5271 2.5288 2.7458 2.7482 3.1947 3.1972 3.3262 3.3303 3.7540 3.7553 4.3312 4.3318 4.7003 4.7006 5.0633 5.0641 12.2741 12.2760 12.4568 12.4600 12.5146 12.5161 12.5934 12.5974 13.2555 13.2567 k = 0.0164 0.5599-0.0000 ( 4348 PWs) bands (ev): -13.5846 -13.5846 -13.3070 -13.3070 -10.5797 -10.5795 -10.2403 -10.2400 -8.5267 -8.5254 -8.4917 -8.4903 -3.2731 -3.2729 -2.6309 -2.6307 -1.5452 -1.5448 -1.2694 -1.2692 -0.4555 -0.4549 0.1364 0.1366 0.8595 0.8655 0.9814 0.9881 1.5835 1.5882 1.8328 1.8375 2.5341 2.5350 2.7462 2.7474 3.2013 3.2028 3.3205 3.3227 3.7537 3.7543 4.3324 4.3327 4.7004 4.7006 5.0656 5.0661 12.2753 12.2763 12.4636 12.4649 12.5289 12.5319 12.5742 12.5781 13.2474 13.2479 k = 0.0000 0.5599-0.0000 ( 4352 PWs) bands (ev): -13.5848 -13.5848 -13.3071 -13.3071 -10.5753 -10.5753 -10.2443 -10.2443 -8.5256 -8.5256 -8.4911 -8.4911 -3.2709 -3.2709 -2.6355 -2.6355 -1.5455 -1.5455 -1.2696 -1.2696 -0.4507 -0.4507 0.1345 0.1345 0.8889 0.8889 0.9565 0.9565 1.5956 1.5956 1.8257 1.8257 2.5368 2.5368 2.7467 2.7467 3.2042 3.2042 3.3192 3.3192 3.7538 3.7538 4.3329 4.3329 4.7006 4.7006 5.0666 5.0666 12.2761 12.2761 12.4656 12.4656 12.5427 12.5427 12.5630 12.5630 13.2448 13.2448 k = 0.0000 0.5599-0.0000 ( 4352 PWs) bands (ev): -13.5848 -13.5848 -13.3071 -13.3071 -10.5753 -10.5753 -10.2443 -10.2443 -8.5256 -8.5256 -8.4911 -8.4911 -3.2709 -3.2709 -2.6355 -2.6355 -1.5455 -1.5455 -1.2696 -1.2696 -0.4507 -0.4507 0.1345 0.1345 0.8889 0.8889 0.9565 0.9565 1.5956 1.5956 1.8257 1.8257 2.5368 2.5368 2.7467 2.7467 3.2042 3.2042 3.3192 3.3192 3.7538 3.7538 4.3329 4.3329 4.7006 4.7006 5.0666 5.0666 12.2761 12.2761 12.4656 12.4656 12.5427 12.5427 12.5630 12.5630 13.2448 13.2448 k = 0.0000 0.5599 0.0163 ( 4346 PWs) bands (ev): -13.5846 -13.5846 -13.3072 -13.3072 -10.5745 -10.5744 -10.2436 -10.2436 -8.5272 -8.5271 -8.4928 -8.4928 -3.2705 -3.2704 -2.6353 -2.6351 -1.5449 -1.5448 -1.2672 -1.2670 -0.4492 -0.4490 0.1343 0.1345 0.8865 0.8865 0.9545 0.9549 1.5956 1.5957 1.8265 1.8266 2.5350 2.5350 2.7474 2.7475 3.2055 3.2056 3.3198 3.3200 3.7534 3.7535 4.3331 4.3333 4.7009 4.7009 5.0663 5.0663 12.2709 12.2716 12.4438 12.4454 12.5576 12.5591 12.5635 12.5648 13.2486 13.2488 k = 0.0000 0.5599 0.0327 ( 4348 PWs) bands (ev): -13.5840 -13.5840 -13.3075 -13.3075 -10.5720 -10.5719 -10.2418 -10.2417 -8.5317 -8.5315 -8.4980 -8.4980 -3.2692 -3.2690 -2.6342 -2.6338 -1.5428 -1.5427 -1.2600 -1.2595 -0.4447 -0.4444 0.1341 0.1343 0.8794 0.8795 0.9489 0.9496 1.5956 1.5958 1.8290 1.8292 2.5296 2.5298 2.7495 2.7497 3.2093 3.2096 3.3219 3.3222 3.7524 3.7526 4.3340 4.3343 4.7017 4.7018 5.0655 5.0655 12.2564 12.2575 12.4041 12.4058 12.5498 12.5513 12.5982 12.6006 13.2594 13.2599 k = 0.0000 0.5599 0.0490 ( 4354 PWs) bands (ev): -13.5829 -13.5829 -13.3080 -13.3080 -10.5678 -10.5678 -10.2386 -10.2385 -8.5392 -8.5389 -8.5066 -8.5066 -3.2671 -3.2667 -2.6324 -2.6319 -1.5394 -1.5393 -1.2480 -1.2473 -0.4372 -0.4366 0.1338 0.1341 0.8679 0.8680 0.9399 0.9408 1.5956 1.5959 1.8329 1.8332 2.5211 2.5212 2.7530 2.7532 3.2155 3.2159 3.3253 3.3258 3.7507 3.7511 4.3356 4.3360 4.7032 4.7033 5.0641 5.0641 12.2330 12.2346 12.3603 12.3619 12.5359 12.5379 12.6365 12.6391 13.2756 13.2763 k = 0.0000 0.5599 0.0653 ( 4352 PWs) bands (ev): -13.5814 -13.5814 -13.3087 -13.3087 -10.5619 -10.5619 -10.2342 -10.2341 -8.5496 -8.5493 -8.5185 -8.5185 -3.2640 -3.2636 -2.6300 -2.6293 -1.5348 -1.5346 -1.2313 -1.2304 -0.4265 -0.4258 0.1332 0.1337 0.8523 0.8524 0.9277 0.9290 1.5953 1.5958 1.8381 1.8384 2.5096 2.5098 2.7577 2.7580 3.2236 3.2241 3.3301 3.3307 3.7483 3.7488 4.3377 4.3383 4.7053 4.7054 5.0622 5.0622 12.2020 12.2038 12.3156 12.3169 12.5185 12.5208 12.6743 12.6768 13.2947 13.2956 k = 0.0000 0.5599 0.0817 ( 4340 PWs) bands (ev): -13.5795 -13.5795 -13.3096 -13.3095 -10.5545 -10.5544 -10.2286 -10.2284 -8.5629 -8.5624 -8.5338 -8.5337 -3.2600 -3.2595 -2.6269 -2.6261 -1.5289 -1.5287 -1.2102 -1.2090 -0.4127 -0.4118 0.1326 0.1331 0.8333 0.8334 0.9127 0.9143 1.5946 1.5952 1.8441 1.8444 2.4957 2.4960 2.7634 2.7638 3.2333 3.2339 3.3363 3.3370 3.7453 3.7459 4.3404 4.3411 4.7078 4.7080 5.0598 5.0598 12.1647 12.1665 12.2710 12.2721 12.4987 12.5012 12.7104 12.7129 13.3144 13.3155 k = 0.0000 0.5599 0.0980 ( 4332 PWs) bands (ev): -13.5772 -13.5772 -13.3106 -13.3106 -10.5453 -10.5453 -10.2216 -10.2214 -8.5789 -8.5784 -8.5522 -8.5521 -3.2551 -3.2544 -2.6234 -2.6223 -1.5219 -1.5217 -1.1849 -1.1835 -0.3957 -0.3946 0.1316 0.1323 0.8113 0.8115 0.8954 0.8972 1.5932 1.5939 1.8505 1.8509 2.4799 2.4802 2.7700 2.7705 3.2441 3.2448 3.3438 3.3446 3.7416 3.7423 4.3435 4.3444 4.7109 4.7111 5.0569 5.0569 12.1227 12.1245 12.2273 12.2281 12.4772 12.4797 12.7446 12.7469 13.3326 13.3339 k = 0.0000 0.5599 0.1143 ( 4330 PWs) bands (ev): -13.5745 -13.5745 -13.3119 -13.3119 -10.5345 -10.5345 -10.2135 -10.2132 -8.5976 -8.5970 -8.5737 -8.5736 -3.2492 -3.2484 -2.6194 -2.6183 -1.5140 -1.5137 -1.1558 -1.1542 -0.3756 -0.3743 0.1304 0.1313 0.7871 0.7873 0.8761 0.8782 1.5910 1.5917 1.8569 1.8574 2.4628 2.4631 2.7772 2.7777 3.2555 3.2563 3.3525 3.3534 3.7372 3.7380 4.3470 4.3481 4.7144 4.7146 5.0534 5.0535 12.0777 12.0792 12.1852 12.1858 12.4546 12.4570 12.7764 12.7785 13.3479 13.3493 k = 0.0000 0.5599 0.1307 ( 4334 PWs) bands (ev): -13.5714 -13.5714 -13.3134 -13.3133 -10.5221 -10.5220 -10.2040 -10.2037 -8.6189 -8.6181 -8.5981 -8.5980 -3.2423 -3.2414 -2.6152 -2.6139 -1.5051 -1.5048 -1.1234 -1.1215 -0.3523 -0.3509 0.1289 0.1299 0.7614 0.7617 0.8554 0.8577 1.5878 1.5886 1.8628 1.8634 2.4449 2.4452 2.7847 2.7852 3.2670 3.2680 3.3623 3.3633 3.7321 3.7331 4.3508 4.3520 4.7183 4.7185 5.0495 5.0496 12.0310 12.0323 12.1453 12.1456 12.4313 12.4334 12.8055 12.8074 13.3595 13.3612 k = 0.0000 0.5599 0.1470 ( 4328 PWs) bands (ev): -13.5680 -13.5679 -13.3151 -13.3150 -10.5080 -10.5080 -10.1933 -10.1930 -8.6426 -8.6417 -8.6253 -8.6251 -3.2344 -3.2334 -2.6108 -2.6095 -1.4955 -1.4952 -1.0879 -1.0859 -0.3258 -0.3242 0.1270 0.1282 0.7348 0.7352 0.8337 0.8362 1.5835 1.5844 1.8678 1.8685 2.4267 2.4270 2.7923 2.7927 3.2783 3.2793 3.3731 3.3741 3.7265 3.7276 4.3547 4.3561 4.7225 4.7227 5.0451 5.0452 11.9840 11.9851 12.1081 12.1082 12.4075 12.4095 12.8317 12.8333 13.3675 13.3693 k = 0.0000 0.5599 0.1633 ( 4330 PWs) bands (ev): -13.5642 -13.5641 -13.3169 -13.3169 -10.4923 -10.4923 -10.1814 -10.1810 -8.6686 -8.6676 -8.6550 -8.6548 -3.2254 -3.2244 -2.6064 -2.6051 -1.4851 -1.4849 -1.0502 -1.0479 -0.2963 -0.2945 0.1247 0.1261 0.7083 0.7087 0.8114 0.8141 1.5781 1.5790 1.8714 1.8723 2.4088 2.4090 2.7995 2.7999 3.2890 3.2901 3.3846 3.3856 3.7205 3.7217 4.3585 4.3600 4.7271 4.7273 5.0402 5.0404 11.9379 11.9387 12.0740 12.0742 12.3837 12.3854 12.8547 12.8558 13.3722 13.3740 k = 0.0000 0.5599 0.1797 ( 4326 PWs) bands (ev): -13.5600 -13.5599 -13.3190 -13.3190 -10.4750 -10.4749 -10.1682 -10.1678 -8.6969 -8.6958 -8.6872 -8.6868 -3.2154 -3.2143 -2.6022 -2.6008 -1.4741 -1.4739 -1.0107 -1.0082 -0.2638 -0.2619 0.1220 0.1235 0.6824 0.6830 0.7889 0.7919 1.5715 1.5724 1.8733 1.8742 2.3915 2.3916 2.8062 2.8065 3.2988 3.3000 3.3964 3.3975 3.7144 3.7156 4.3622 4.3638 4.7319 4.7321 5.0349 5.0351 11.8937 11.8943 12.0436 12.0440 12.3601 12.3616 12.8739 12.8745 13.3742 13.3761 k = 0.0000 0.5599 0.1960 ( 4324 PWs) bands (ev): -13.5555 -13.5554 -13.3214 -13.3213 -10.4561 -10.4560 -10.1538 -10.1534 -8.7278 -8.7264 -8.7212 -8.7206 -3.2043 -3.2031 -2.5983 -2.5969 -1.4625 -1.4624 -0.9702 -0.9676 -0.2285 -0.2264 0.1189 0.1206 0.6581 0.6588 0.7666 0.7699 1.5637 1.5647 1.8730 1.8740 2.3754 2.3754 2.8120 2.8123 3.3074 3.3087 3.4081 3.4091 3.7085 3.7099 4.3654 4.3671 4.7370 4.7372 5.0292 5.0294 11.8523 11.8526 12.0174 12.0180 12.3372 12.3385 12.8889 12.8891 13.3743 13.3762 k = 0.0000 0.5599 0.2123 ( 4326 PWs) bands (ev): -13.5507 -13.5506 -13.3239 -13.3238 -10.4356 -10.4356 -10.1382 -10.1377 -8.7619 -8.7607 -8.7553 -8.7551 -3.1922 -3.1910 -2.5949 -2.5936 -1.4504 -1.4504 -0.9297 -0.9268 -0.1906 -0.1884 0.1155 0.1174 0.6360 0.6369 0.7451 0.7485 1.5549 1.5559 1.8702 1.8713 2.3607 2.3608 2.8167 2.8169 3.3147 3.3161 3.4189 3.4199 3.7036 3.7051 4.3679 4.3698 4.7423 4.7425 5.0231 5.0233 11.8144 11.8145 11.9958 11.9967 12.3152 12.3163 12.8990 12.8993 13.3730 13.3749 k = 0.0000 0.5599 0.2287 ( 4328 PWs) bands (ev): -13.5456 -13.5455 -13.3266 -13.3266 -10.4136 -10.4135 -10.1214 -10.1209 -8.7995 -8.7988 -8.7896 -8.7894 -3.1790 -3.1777 -2.5922 -2.5909 -1.4378 -1.4377 -0.8899 -0.8869 -0.1504 -0.1481 0.1120 0.1140 0.6170 0.6181 0.7246 0.7283 1.5451 1.5460 1.8646 1.8659 2.3478 2.3479 2.8200 2.8201 3.3205 3.3219 3.4280 3.4288 3.7005 3.7020 4.3696 4.3715 4.7479 4.7481 5.0166 5.0169 11.7806 11.7807 11.9791 11.9802 12.2946 12.2955 12.9039 12.9047 13.3711 13.3730 k = 0.0000 0.5599 0.2450 ( 4328 PWs) bands (ev): -13.5402 -13.5401 -13.3296 -13.3295 -10.3900 -10.3899 -10.1033 -10.1028 -8.8396 -8.8391 -8.8249 -8.8244 -3.1648 -3.1635 -2.5903 -2.5891 -1.4246 -1.4244 -0.8520 -0.8488 -0.1085 -0.1060 0.1087 0.1109 0.6016 0.6029 0.7056 0.7095 1.5343 1.5352 1.8562 1.8576 2.3369 2.3371 2.8217 2.8217 3.3247 3.3262 3.4344 3.4351 3.7000 3.7015 4.3702 4.3722 4.7537 4.7539 5.0098 5.0102 11.7515 11.7517 11.9677 11.9690 12.2756 12.2764 12.9036 12.9049 13.3690 13.3709 k = 0.0000 0.5599 0.2613 ( 4330 PWs) bands (ev): -13.5345 -13.5344 -13.3328 -13.3327 -10.3649 -10.3648 -10.0841 -10.0835 -8.8815 -8.8810 -8.8613 -8.8607 -3.1496 -3.1482 -2.5894 -2.5882 -1.4107 -1.4105 -0.8172 -0.8138 -0.0652 -0.0626 0.1060 0.1085 0.5906 0.5920 0.6886 0.6928 1.5226 1.5236 1.8449 1.8464 2.3281 2.3283 2.8216 2.8217 3.3274 3.3288 3.4372 3.4376 3.7031 3.7045 4.3695 4.3715 4.7598 4.7599 5.0028 5.0031 11.7276 11.7279 11.9617 11.9632 12.2585 12.2592 12.8981 12.8999 13.3671 13.3689 k = 0.0000 0.5599 0.2776 ( 4326 PWs) bands (ev): -13.5286 -13.5285 -13.3362 -13.3361 -10.3383 -10.3382 -10.0638 -10.0631 -8.9248 -8.9245 -8.8987 -8.8980 -3.1333 -3.1319 -2.5896 -2.5886 -1.3962 -1.3958 -0.7865 -0.7830 -0.0213 -0.0187 0.1046 0.1072 0.5844 0.5859 0.6742 0.6785 1.5102 1.5111 1.8307 1.8322 2.3214 2.3217 2.8195 2.8197 3.3284 3.3298 3.4356 3.4357 3.7105 3.7118 4.3672 4.3693 4.7662 4.7662 4.9955 4.9959 11.7093 11.7097 11.9613 11.9631 12.2436 12.2442 12.8876 12.8899 13.3657 13.3673 k = 0.0000 0.5599 0.2940 ( 4330 PWs) bands (ev): -13.5225 -13.5224 -13.3399 -13.3398 -10.3103 -10.3102 -10.0422 -10.0416 -8.9694 -8.9691 -8.9371 -8.9363 -3.1161 -3.1147 -2.5910 -2.5901 -1.3808 -1.3802 -0.7612 -0.7576 0.0224 0.0251 0.1048 0.1076 0.5834 0.5851 0.6629 0.6675 1.4971 1.4980 1.8137 1.8152 2.3169 2.3172 2.8154 2.8156 3.3278 3.3292 3.4294 3.4296 3.7223 3.7234 4.3634 4.3654 4.7728 4.7728 4.9880 4.9884 11.6969 11.6974 11.9665 11.9685 12.2311 12.2317 12.8725 12.8753 13.3648 13.3662 k = 0.0000 0.5599 0.3103 ( 4332 PWs) bands (ev): -13.5162 -13.5161 -13.3438 -13.3437 -10.2808 -10.2807 -10.0196 -10.0190 -9.0150 -9.0147 -8.9762 -8.9754 -3.0980 -3.0965 -2.5939 -2.5931 -1.3645 -1.3638 -0.7421 -0.7384 0.0648 0.0675 0.1073 0.1101 0.5880 0.5897 0.6555 0.6602 1.4834 1.4843 1.7940 1.7956 2.3144 2.3147 2.8089 2.8093 3.3258 3.3271 3.4191 3.4196 3.7382 3.7392 4.3577 4.3598 4.7796 4.7797 4.9803 4.9809 11.6907 11.6912 11.9774 11.9797 12.2211 12.2217 12.8534 12.8568 13.3590 13.3624 k = 0.0000 0.5599 0.3266 ( 4334 PWs) bands (ev): -13.5098 -13.5097 -13.3479 -13.3478 -10.2499 -10.2498 -9.9960 -9.9953 -9.0614 -9.0611 -9.0160 -9.0151 -3.0790 -3.0775 -2.5982 -2.5976 -1.3472 -1.3463 -0.7299 -0.7262 0.1046 0.1059 0.1136 0.1152 0.5983 0.6002 0.6529 0.6577 1.4691 1.4699 1.7718 1.7734 2.3139 2.3142 2.8001 2.8006 3.3224 3.3236 3.4055 3.4064 3.7576 3.7585 4.3502 4.3522 4.7866 4.7868 4.9726 4.9732 11.6907 11.6912 11.9938 11.9963 12.2140 12.2146 12.8311 12.8350 13.3201 13.3222 k = 0.0000 0.5599 0.3430 ( 4336 PWs) bands (ev): -13.5031 -13.5030 -13.3522 -13.3521 -10.2177 -10.2176 -9.9713 -9.9706 -9.1084 -9.1081 -9.0563 -9.0554 -3.0593 -3.0577 -2.6040 -2.6036 -1.3287 -1.3277 -0.7249 -0.7212 0.1181 0.1214 0.1419 0.1448 0.6145 0.6164 0.6558 0.6608 1.4544 1.4551 1.7473 1.7489 2.3152 2.3156 2.7888 2.7894 3.3178 3.3189 3.3896 3.3908 3.7798 3.7805 4.3408 4.3428 4.7938 4.7940 4.9648 4.9655 11.6970 11.6976 12.0154 12.0183 12.2097 12.2104 12.8063 12.8107 13.2702 13.2725 k = 0.0000 0.5599 0.3593 ( 4340 PWs) bands (ev): -13.4964 -13.4963 -13.3567 -13.3566 -10.1842 -10.1841 -9.9458 -9.9450 -9.1558 -9.1555 -9.0969 -9.0959 -3.0387 -3.0372 -2.6115 -2.6112 -1.3090 -1.3078 -0.7270 -0.7232 0.1271 0.1304 0.1736 0.1762 0.6364 0.6384 0.6652 0.6702 1.4392 1.4399 1.7207 1.7222 2.3184 2.3188 2.7749 2.7755 3.3122 3.3132 3.3723 3.3737 3.8040 3.8047 4.3295 4.3315 4.8011 4.8014 4.9571 4.9577 11.7097 11.7102 12.0418 12.0450 12.2084 12.2092 12.7798 12.7848 13.2121 13.2147 k = 0.0000 0.5599 0.3756 ( 4336 PWs) bands (ev): -13.4895 -13.4894 -13.3615 -13.3614 -10.1495 -10.1494 -9.9194 -9.9186 -9.2033 -9.2030 -9.1376 -9.1367 -3.0175 -3.0160 -2.6206 -2.6205 -1.2880 -1.2867 -0.7356 -0.7319 0.1373 0.1405 0.1997 0.2020 0.6635 0.6656 0.6814 0.6864 1.4237 1.4244 1.6920 1.6934 2.3235 2.3239 2.7583 2.7590 3.3058 3.3066 3.3545 3.3561 3.8299 3.8305 4.3164 4.3183 4.8084 4.8089 4.9494 4.9501 11.7286 11.7291 12.0723 12.0759 12.2102 12.2111 12.7525 12.7582 13.1477 13.1505 k = 0.0000 0.5599 0.3920 ( 4336 PWs) bands (ev): -13.4826 -13.4825 -13.3665 -13.3664 -10.1136 -10.1135 -9.8923 -9.8915 -9.2507 -9.2504 -9.1784 -9.1774 -2.9958 -2.9942 -2.6314 -2.6313 -1.2657 -1.2642 -0.7499 -0.7463 0.1482 0.1513 0.2199 0.2216 0.6950 0.6971 0.7047 0.7095 1.4080 1.4086 1.6614 1.6627 2.3305 2.3308 2.7390 2.7398 3.2988 3.2995 3.3369 3.3387 3.8569 3.8575 4.3016 4.3034 4.8158 4.8163 4.9417 4.9425 11.7536 11.7539 12.1058 12.1099 12.2150 12.2161 12.7254 12.7318 13.0790 13.0820 k = 0.0000 0.5599 0.4083 ( 4338 PWs) bands (ev): -13.4756 -13.4755 -13.3717 -13.3716 -10.0767 -10.0765 -9.8649 -9.8641 -9.2975 -9.2973 -9.2190 -9.2180 -2.9735 -2.9719 -2.6438 -2.6436 -1.2421 -1.2404 -0.7692 -0.7656 0.1593 0.1624 0.2342 0.2355 0.7292 0.7298 0.7363 0.7395 1.3923 1.3927 1.6290 1.6303 2.3395 2.3398 2.7172 2.7180 3.2916 3.2920 3.3201 3.3220 3.8846 3.8852 4.2851 4.2868 4.8232 4.8238 4.9342 4.9350 11.7843 11.7845 12.1410 12.1454 12.2231 12.2244 12.6997 12.7068 13.0083 13.0115 k = 0.0000 0.5599 0.4246 ( 4336 PWs) bands (ev): -13.4686 -13.4685 -13.3771 -13.3770 -10.0388 -10.0386 -9.8373 -9.8365 -9.3435 -9.3433 -9.2593 -9.2583 -2.9508 -2.9493 -2.6578 -2.6574 -1.2170 -1.2151 -0.7925 -0.7890 0.1702 0.1732 0.2434 0.2442 0.7631 0.7642 0.7743 0.7756 1.3767 1.3771 1.5950 1.5962 2.3506 2.3509 2.6930 2.6939 3.2842 3.2845 3.3046 3.3066 3.9127 3.9134 4.2670 4.2687 4.8305 4.8311 4.9268 4.9277 11.8204 11.8205 12.1754 12.1803 12.2344 12.2359 12.6764 12.6841 12.9383 12.9416 k = 0.0000 0.5599 0.4410 ( 4334 PWs) bands (ev): -13.4615 -13.4614 -13.3827 -13.3826 -10.0001 -10.0000 -9.8103 -9.8095 -9.3878 -9.3876 -9.2990 -9.2980 -2.9278 -2.9263 -2.6732 -2.6727 -1.1906 -1.1886 -0.8190 -0.8156 0.1807 0.1835 0.2484 0.2487 0.7983 0.7999 0.8144 0.8149 1.3619 1.3623 1.5596 1.5607 2.3640 2.3643 2.6668 2.6676 3.2771 3.2772 3.2909 3.2929 3.9411 3.9418 4.2476 4.2491 4.8377 4.8384 4.9196 4.9204 11.8614 11.8614 12.2060 12.2112 12.2490 12.2508 12.6562 12.6640 12.8730 12.8762 k = 0.0000 0.5599 0.4573 ( 4338 PWs) bands (ev): -13.4545 -13.4544 -13.3886 -13.3884 -9.9609 -9.9607 -9.7848 -9.7840 -9.4295 -9.4292 -9.3378 -9.3369 -2.9046 -2.9031 -2.6900 -2.6893 -1.1629 -1.1607 -0.8479 -0.8446 0.1906 0.1932 0.2501 0.2502 0.8340 0.8358 0.8541 0.8544 1.3486 1.3489 1.5233 1.5243 2.3796 2.3799 2.6388 2.6396 3.2704 3.2705 3.2791 3.2811 3.9695 3.9702 4.2268 4.2282 4.8448 4.8455 4.9125 4.9134 11.9064 11.9066 12.2288 12.2339 12.2669 12.2691 12.6365 12.6432 12.8207 12.8227 k = 0.0000 0.5599 0.4736 ( 4340 PWs) bands (ev): -13.4475 -13.4474 -13.3945 -13.3944 -9.9213 -9.9211 -9.7627 -9.7619 -9.4665 -9.4662 -9.3756 -9.3746 -2.8814 -2.8799 -2.7080 -2.7072 -1.1339 -1.1316 -0.8785 -0.8753 0.1999 0.2023 0.2490 0.2496 0.8687 0.8704 0.8912 0.8914 1.3380 1.3382 1.4864 1.4873 2.3977 2.3980 2.6097 2.6104 3.2644 3.2647 3.2695 3.2715 3.9978 3.9985 4.2048 4.2061 4.8517 4.8525 4.9055 4.9064 11.9548 11.9552 12.2400 12.2445 12.2884 12.2911 12.6092 12.6127 12.7943 12.7950 k = 0.0000 0.5599 0.4900 ( 4344 PWs) bands (ev): -13.4405 -13.4404 -13.4007 -13.4006 -9.8820 -9.8817 -9.7471 -9.7463 -9.4956 -9.4952 -9.4116 -9.4107 -2.8581 -2.8567 -2.7272 -2.7263 -1.1039 -1.1014 -0.9104 -0.9073 0.2085 0.2108 0.2462 0.2471 0.9005 0.9021 0.9228 0.9232 1.3317 1.3320 1.4500 1.4508 2.4181 2.4184 2.5799 2.5806 3.2593 3.2599 3.2621 3.2639 4.0258 4.0265 4.1817 4.1829 4.8586 4.8594 4.8987 4.8996 12.0055 12.0059 12.2372 12.2406 12.3138 12.3169 12.5679 12.5679 12.8004 12.8034 k = 0.0000 0.5599 0.5063 ( 4340 PWs) bands (ev): -13.4336 -13.4335 -13.4070 -13.4069 -9.8435 -9.8433 -9.7427 -9.7420 -9.5121 -9.5116 -9.4453 -9.4444 -2.8351 -2.8338 -2.7473 -2.7463 -1.0728 -1.0703 -0.9429 -0.9399 0.2165 0.2186 0.2420 0.2432 0.9276 0.9290 0.9461 0.9467 1.3320 1.3323 1.4153 1.4160 2.4409 2.4412 2.5501 2.5507 3.2555 3.2563 3.2568 3.2585 4.0534 4.0542 4.1576 4.1588 4.8653 4.8662 4.8920 4.8929 12.0568 12.0573 12.2205 12.2226 12.3435 12.3470 12.5162 12.5182 12.8353 12.8391 k = 0.0000 0.5599 0.5226 ( 4344 PWs) bands (ev): -13.4268 -13.4267 -13.4135 -13.4134 -9.8074 -9.8071 -9.7527 -9.7522 -9.5128 -9.5121 -9.4752 -9.4743 -2.8124 -2.8111 -2.7683 -2.7672 -1.0410 -1.0383 -0.9758 -0.9729 0.2239 0.2258 0.2367 0.2382 0.9478 0.9490 0.9585 0.9592 1.3407 1.3411 1.3840 1.3846 2.4658 2.4662 2.5208 2.5213 3.2531 3.2536 3.2542 3.2552 4.0804 4.0813 4.1327 4.1337 4.8720 4.8729 4.8853 4.8862 12.1067 12.1071 12.1916 12.1925 12.3783 12.3820 12.4652 12.4684 12.8892 12.8930 k = 0.0000 0.5599 0.5390 ( 4344 PWs) bands (ev): -13.4201 -13.4201 -13.4200 -13.4200 -9.7758 -9.7758 -9.7754 -9.7754 -9.4990 -9.4990 -9.4982 -9.4982 -2.7901 -2.7901 -2.7888 -2.7888 -1.0086 -1.0086 -1.0057 -1.0057 0.2307 0.2307 0.2324 0.2324 0.9588 0.9588 0.9598 0.9598 1.3584 1.3584 1.3589 1.3589 2.4925 2.4925 2.4930 2.4930 3.2525 3.2525 3.2538 3.2538 4.1069 4.1069 4.1079 4.1079 4.8787 4.8787 4.8796 4.8796 12.1528 12.1528 12.1529 12.1529 12.4188 12.4188 12.4225 12.4225 12.9554 12.9554 k = 0.0000 0.5599 0.5390 ( 4344 PWs) bands (ev): -13.4201 -13.4201 -13.4200 -13.4200 -9.7758 -9.7758 -9.7754 -9.7754 -9.4990 -9.4990 -9.4982 -9.4982 -2.7901 -2.7901 -2.7888 -2.7888 -1.0086 -1.0086 -1.0057 -1.0057 0.2307 0.2307 0.2324 0.2324 0.9588 0.9588 0.9598 0.9598 1.3584 1.3584 1.3589 1.3589 2.4925 2.4925 2.4930 2.4930 3.2525 3.2525 3.2538 3.2538 4.1069 4.1069 4.1079 4.1079 4.8787 4.8787 4.8796 4.8796 12.1528 12.1528 12.1529 12.1529 12.4188 12.4188 12.4225 12.4225 12.9554 12.9554 k = 0.0164 0.5599 0.5390 ( 4346 PWs) bands (ev): -13.4200 -13.4200 -13.4198 -13.4198 -9.7780 -9.7780 -9.7775 -9.7775 -9.4971 -9.4971 -9.4963 -9.4963 -2.7883 -2.7883 -2.7871 -2.7871 -1.0118 -1.0118 -1.0090 -1.0090 0.2326 0.2326 0.2343 0.2343 0.9573 0.9573 0.9588 0.9588 1.3597 1.3597 1.3613 1.3613 2.4912 2.4912 2.4919 2.4919 3.2535 3.2535 3.2549 3.2549 4.1074 4.1074 4.1084 4.1084 4.8769 4.8769 4.8778 4.8778 12.1518 12.1518 12.1527 12.1527 12.4190 12.4190 12.4228 12.4228 12.9537 12.9537 k = 0.0328 0.5599 0.5390 ( 4346 PWs) bands (ev): -13.4196 -13.4196 -13.4194 -13.4194 -9.7843 -9.7843 -9.7837 -9.7837 -9.4917 -9.4917 -9.4908 -9.4908 -2.7832 -2.7832 -2.7820 -2.7820 -1.0216 -1.0216 -1.0188 -1.0188 0.2381 0.2381 0.2400 0.2400 0.9533 0.9533 0.9558 0.9558 1.3644 1.3644 1.3673 1.3673 2.4874 2.4874 2.4887 2.4887 3.2567 3.2567 3.2584 3.2584 4.1090 4.1090 4.1100 4.1100 4.8717 4.8717 4.8727 4.8727 12.1495 12.1495 12.1513 12.1513 12.4197 12.4197 12.4237 12.4237 12.9489 12.9489 k = 0.0493 0.5599 0.5390 ( 4346 PWs) bands (ev): -13.4189 -13.4189 -13.4188 -13.4188 -9.7942 -9.7942 -9.7934 -9.7934 -9.4831 -9.4831 -9.4821 -9.4821 -2.7747 -2.7747 -2.7734 -2.7734 -1.0377 -1.0377 -1.0349 -1.0349 0.2472 0.2472 0.2492 0.2492 0.9473 0.9473 0.9508 0.9508 1.3724 1.3724 1.3767 1.3767 2.4813 2.4813 2.4832 2.4832 3.2620 3.2620 3.2640 3.2640 4.1116 4.1116 4.1128 4.1128 4.8630 4.8630 4.8642 4.8642 12.1462 12.1462 12.1487 12.1487 12.4209 12.4209 12.4252 12.4252 12.9412 12.9412 k = 0.0657 0.5599 0.5390 ( 4342 PWs) bands (ev): -13.4181 -13.4181 -13.4179 -13.4179 -9.8072 -9.8072 -9.8062 -9.8062 -9.4720 -9.4720 -9.4709 -9.4709 -2.7628 -2.7628 -2.7615 -2.7615 -1.0596 -1.0596 -1.0569 -1.0569 0.2594 0.2594 0.2616 0.2616 0.9396 0.9396 0.9438 0.9438 1.3835 1.3835 1.3889 1.3889 2.4732 2.4732 2.4757 2.4757 3.2690 3.2690 3.2713 3.2713 4.1154 4.1154 4.1166 4.1166 4.8511 4.8511 4.8524 4.8524 12.1420 12.1420 12.1452 12.1452 12.4225 12.4225 12.4271 12.4271 12.9310 12.9310 k = 0.0821 0.5599 0.5390 ( 4338 PWs) bands (ev): -13.4170 -13.4170 -13.4168 -13.4168 -9.8224 -9.8224 -9.8214 -9.8214 -9.4590 -9.4590 -9.4578 -9.4578 -2.7477 -2.7477 -2.7463 -2.7463 -1.0871 -1.0871 -1.0844 -1.0844 0.2744 0.2744 0.2769 0.2769 0.9305 0.9305 0.9354 0.9354 1.3973 1.3973 1.4037 1.4037 2.4633 2.4633 2.4663 2.4663 3.2777 3.2777 3.2802 3.2802 4.1203 4.1203 4.1216 4.1216 4.8359 4.8359 4.8374 4.8374 12.1372 12.1372 12.1409 12.1409 12.4243 12.4243 12.4293 12.4293 12.9188 12.9188 k = 0.0985 0.5599 0.5390 ( 4332 PWs) bands (ev): -13.4156 -13.4156 -13.4155 -13.4155 -9.8395 -9.8395 -9.8384 -9.8384 -9.4445 -9.4445 -9.4432 -9.4432 -2.7293 -2.7293 -2.7279 -2.7279 -1.1196 -1.1196 -1.1169 -1.1169 0.2917 0.2917 0.2944 0.2944 0.9204 0.9204 0.9259 0.9259 1.4133 1.4133 1.4205 1.4205 2.4519 2.4519 2.4553 2.4553 3.2875 3.2875 3.2903 3.2903 4.1264 4.1264 4.1279 4.1279 4.8178 4.8178 4.8195 4.8195 12.1319 12.1319 12.1359 12.1359 12.4264 12.4264 12.4317 12.4317 12.9050 12.9050 k = 0.1149 0.5599 0.5390 ( 4332 PWs) bands (ev): -13.4141 -13.4141 -13.4140 -13.4140 -9.8580 -9.8580 -9.8568 -9.8568 -9.4290 -9.4290 -9.4277 -9.4277 -2.7078 -2.7078 -2.7063 -2.7063 -1.1565 -1.1565 -1.1540 -1.1540 0.3108 0.3108 0.3138 0.3138 0.9097 0.9097 0.9157 0.9157 1.4312 1.4312 1.4391 1.4391 2.4392 2.4392 2.4430 2.4430 3.2982 3.2982 3.3012 3.3012 4.1338 4.1338 4.1354 4.1354 4.7968 4.7968 4.7987 4.7987 12.1263 12.1263 12.1306 12.1306 12.4285 12.4285 12.4341 12.4341 12.8901 12.8901 k = 0.1314 0.5599 0.5390 ( 4338 PWs) bands (ev): -13.4124 -13.4124 -13.4123 -13.4123 -9.8773 -9.8773 -9.8761 -9.8761 -9.4128 -9.4128 -9.4115 -9.4115 -2.6833 -2.6833 -2.6818 -2.6818 -1.1975 -1.1975 -1.1950 -1.1950 0.3314 0.3314 0.3345 0.3345 0.8987 0.8987 0.9049 0.9049 1.4506 1.4506 1.4591 1.4591 2.4256 2.4256 2.4297 2.4297 3.3093 3.3093 3.3125 3.3125 4.1425 4.1425 4.1442 4.1442 4.7733 4.7733 4.7754 4.7754 12.1206 12.1206 12.1251 12.1251 12.4306 12.4306 12.4365 12.4365 12.8746 12.8746 k = 0.1478 0.5599 0.5390 ( 4338 PWs) bands (ev): -13.4105 -13.4105 -13.4104 -13.4104 -9.8974 -9.8974 -9.8961 -9.8961 -9.3962 -9.3962 -9.3948 -9.3948 -2.6560 -2.6560 -2.6544 -2.6544 -1.2420 -1.2420 -1.2396 -1.2396 0.3529 0.3529 0.3562 0.3562 0.8876 0.8876 0.8940 0.8940 1.4711 1.4711 1.4800 1.4800 2.4113 2.4113 2.4156 2.4156 3.3206 3.3206 3.3238 3.3238 4.1527 4.1527 4.1545 4.1545 4.7474 4.7474 4.7497 4.7497 12.1150 12.1150 12.1196 12.1196 12.4325 12.4325 12.4387 12.4387 12.8590 12.8590 k = 0.1642 0.5599 0.5390 ( 4332 PWs) bands (ev): -13.4085 -13.4085 -13.4084 -13.4084 -9.9178 -9.9178 -9.9165 -9.9165 -9.3793 -9.3793 -9.3779 -9.3779 -2.6259 -2.6259 -2.6242 -2.6242 -1.2896 -1.2896 -1.2872 -1.2872 0.3750 0.3750 0.3785 0.3785 0.8766 0.8766 0.8831 0.8831 1.4924 1.4924 1.5017 1.5017 2.3966 2.3966 2.4011 2.4011 3.3316 3.3316 3.3348 3.3348 4.1643 4.1643 4.1662 4.1662 4.7196 4.7196 4.7220 4.7220 12.1095 12.1095 12.1140 12.1140 12.4342 12.4342 12.4407 12.4407 12.8436 12.8436 k = 0.1806 0.5599 0.5390 ( 4338 PWs) bands (ev): -13.4064 -13.4064 -13.4063 -13.4063 -9.9384 -9.9384 -9.9372 -9.9372 -9.3622 -9.3622 -9.3608 -9.3608 -2.5932 -2.5932 -2.5915 -2.5915 -1.3398 -1.3398 -1.3375 -1.3375 0.3974 0.3974 0.4011 0.4011 0.8659 0.8659 0.8725 0.8725 1.5141 1.5141 1.5237 1.5237 2.3817 2.3817 2.3865 2.3865 3.3420 3.3420 3.3452 3.3452 4.1774 4.1774 4.1794 4.1794 4.6900 4.6900 4.6926 4.6926 12.1040 12.1040 12.1084 12.1084 12.4355 12.4355 12.4423 12.4423 12.8290 12.8290 k = 0.1970 0.5599 0.5390 ( 4334 PWs) bands (ev): -13.4042 -13.4042 -13.4041 -13.4041 -9.9591 -9.9591 -9.9578 -9.9578 -9.3451 -9.3451 -9.3437 -9.3437 -2.5582 -2.5582 -2.5564 -2.5564 -1.3923 -1.3923 -1.3901 -1.3901 0.4196 0.4196 0.4235 0.4235 0.8557 0.8557 0.8623 0.8623 1.5359 1.5359 1.5458 1.5458 2.3671 2.3671 2.3720 2.3720 3.3516 3.3516 3.3547 3.3547 4.1919 4.1919 4.1940 4.1940 4.6591 4.6591 4.6618 4.6618 12.0986 12.0986 12.1027 12.1027 12.4364 12.4364 12.4434 12.4434 12.8155 12.8155 k = 0.2135 0.5599 0.5390 ( 4334 PWs) bands (ev): -13.4020 -13.4020 -13.4019 -13.4019 -9.9796 -9.9796 -9.9783 -9.9783 -9.3281 -9.3281 -9.3266 -9.3266 -2.5211 -2.5211 -2.5192 -2.5192 -1.4467 -1.4467 -1.4445 -1.4445 0.4416 0.4416 0.4456 0.4456 0.8461 0.8461 0.8527 0.8527 1.5575 1.5575 1.5676 1.5676 2.3529 2.3529 2.3579 2.3579 3.3600 3.3600 3.3629 3.3629 4.2080 4.2080 4.2101 4.2101 4.6272 4.6272 4.6301 4.6301 12.0931 12.0931 12.0968 12.0968 12.4368 12.4368 12.4441 12.4441 12.8037 12.8037 k = 0.2299 0.5599 0.5390 ( 4332 PWs) bands (ev): -13.3997 -13.3997 -13.3996 -13.3996 -9.9998 -9.9998 -9.9985 -9.9985 -9.3111 -9.3111 -9.3097 -9.3097 -2.4820 -2.4820 -2.4802 -2.4802 -1.5026 -1.5026 -1.5005 -1.5005 0.4630 0.4630 0.4670 0.4670 0.8374 0.8374 0.8439 0.8439 1.5785 1.5785 1.5887 1.5887 2.3396 2.3396 2.3446 2.3446 3.3671 3.3671 3.3699 3.3699 4.2253 4.2253 4.2276 4.2276 4.5948 4.5948 4.5977 4.5977 12.0872 12.0872 12.0906 12.0906 12.4367 12.4367 12.4443 12.4443 12.7940 12.7940 k = 0.2463 0.5599 0.5390 ( 4328 PWs) bands (ev): -13.3975 -13.3975 -13.3974 -13.3974 -10.0196 -10.0196 -10.0183 -10.0183 -9.2942 -9.2942 -9.2929 -9.2929 -2.4414 -2.4414 -2.4396 -2.4396 -1.5596 -1.5596 -1.5575 -1.5575 0.4835 0.4835 0.4877 0.4877 0.8295 0.8295 0.8359 0.8359 1.5985 1.5985 1.6088 1.6088 2.3274 2.3274 2.3324 2.3324 3.3727 3.3727 3.3753 3.3753 4.2438 4.2438 4.2462 4.2462 4.5622 4.5622 4.5653 4.5653 12.0807 12.0807 12.0837 12.0837 12.4362 12.4362 12.4440 12.4440 12.7868 12.7868 k = 0.2627 0.5599 0.5390 ( 4340 PWs) bands (ev): -13.3953 -13.3953 -13.3952 -13.3952 -10.0388 -10.0388 -10.0376 -10.0376 -9.2776 -9.2776 -9.2762 -9.2762 -2.3997 -2.3997 -2.3979 -2.3979 -1.6172 -1.6172 -1.6152 -1.6152 0.5030 0.5030 0.5072 0.5072 0.8228 0.8228 0.8290 0.8290 1.6171 1.6171 1.6274 1.6274 2.3168 2.3168 2.3218 2.3218 3.3767 3.3767 3.3791 3.3791 4.2631 4.2631 4.2655 4.2655 4.5303 4.5303 4.5333 4.5333 12.0732 12.0732 12.0759 12.0759 12.4354 12.4354 12.4433 12.4433 12.7823 12.7823 k = 0.2791 0.5599 0.5390 ( 4340 PWs) bands (ev): -13.3932 -13.3932 -13.3931 -13.3931 -10.0575 -10.0575 -10.0562 -10.0562 -9.2611 -9.2611 -9.2597 -9.2597 -2.3575 -2.3575 -2.3557 -2.3557 -1.6748 -1.6748 -1.6730 -1.6730 0.5212 0.5212 0.5254 0.5254 0.8173 0.8173 0.8234 0.8234 1.6336 1.6336 1.6440 1.6440 2.3082 2.3082 2.3131 2.3131 3.3792 3.3792 3.3814 3.3814 4.2823 4.2823 4.2849 4.2849 4.4998 4.4998 4.5028 4.5028 12.0645 12.0645 12.0668 12.0668 12.4344 12.4344 12.4423 12.4423 12.7809 12.7809 k = 0.2955 0.5599 0.5390 ( 4334 PWs) bands (ev): -13.3912 -13.3912 -13.3911 -13.3911 -10.0753 -10.0753 -10.0741 -10.0741 -9.2448 -9.2448 -9.2434 -9.2434 -2.3155 -2.3155 -2.3139 -2.3139 -1.7316 -1.7316 -1.7299 -1.7299 0.5378 0.5378 0.5421 0.5421 0.8134 0.8134 0.8193 0.8193 1.6477 1.6477 1.6581 1.6581 2.3020 2.3020 2.3068 2.3068 3.3800 3.3800 3.3820 3.3820 4.3001 4.3001 4.3027 4.3027 4.4726 4.4726 4.4755 4.4755 12.0543 12.0543 12.0563 12.0563 12.4335 12.4335 12.4414 12.4414 12.7826 12.7826 k = 0.3120 0.5599 0.5390 ( 4336 PWs) bands (ev): -13.3894 -13.3894 -13.3893 -13.3893 -10.0924 -10.0924 -10.0912 -10.0912 -9.2287 -9.2287 -9.2274 -9.2274 -2.2752 -2.2752 -2.2739 -2.2739 -1.7861 -1.7861 -1.7847 -1.7847 0.5525 0.5525 0.5568 0.5568 0.8112 0.8112 0.8169 0.8169 1.6586 1.6586 1.6691 1.6691 2.2989 2.2989 2.3035 2.3035 3.3793 3.3793 3.3811 3.3811 4.3131 4.3131 4.3157 4.3157 4.4521 4.4521 4.4545 4.4545 12.0422 12.0422 12.0441 12.0441 12.4329 12.4329 12.4407 12.4407 12.7874 12.7874 k = 0.3284 0.5599 0.5390 ( 4328 PWs) bands (ev): -13.3877 -13.3877 -13.3876 -13.3876 -10.1085 -10.1085 -10.1074 -10.1074 -9.2128 -9.2128 -9.2115 -9.2115 -2.2392 -2.2392 -2.2383 -2.2383 -1.8356 -1.8356 -1.8348 -1.8348 0.5650 0.5650 0.5694 0.5694 0.8112 0.8112 0.8167 0.8167 1.6660 1.6660 1.6764 1.6764 2.2991 2.2991 2.3036 2.3036 3.3772 3.3772 3.3789 3.3789 4.3162 4.3162 4.3186 4.3186 4.4436 4.4436 4.4451 4.4451 12.0282 12.0282 12.0300 12.0300 12.4328 12.4328 12.4405 12.4405 12.7953 12.7953 k = 0.3448 0.5599 0.5390 ( 4330 PWs) bands (ev): -13.3862 -13.3862 -13.3862 -13.3862 -10.1236 -10.1236 -10.1225 -10.1225 -9.1972 -9.1972 -9.1959 -9.1959 -2.2122 -2.2122 -2.2119 -2.2119 -1.8758 -1.8758 -1.8755 -1.8755 0.5751 0.5751 0.5794 0.5794 0.8136 0.8136 0.8189 0.8189 1.6694 1.6694 1.6797 1.6797 2.3031 2.3031 2.3075 2.3075 3.3738 3.3738 3.3754 3.3754 4.3061 4.3061 4.3084 4.3084 4.4499 4.4499 4.4509 4.4509 12.0121 12.0121 12.0140 12.0140 12.4334 12.4334 12.4409 12.4409 12.8061 12.8061 k = 0.3448 0.5599 0.5390 ( 4330 PWs) bands (ev): -13.3862 -13.3862 -13.3862 -13.3862 -10.1236 -10.1236 -10.1225 -10.1225 -9.1972 -9.1972 -9.1959 -9.1959 -2.2122 -2.2122 -2.2119 -2.2119 -1.8758 -1.8758 -1.8755 -1.8755 0.5751 0.5751 0.5794 0.5794 0.8136 0.8136 0.8189 0.8189 1.6694 1.6694 1.6797 1.6797 2.3031 2.3031 2.3075 2.3075 3.3738 3.3738 3.3754 3.3754 4.3061 4.3061 4.3084 4.3084 4.4499 4.4499 4.4509 4.4509 12.0121 12.0121 12.0140 12.0140 12.4334 12.4334 12.4409 12.4409 12.8061 12.8061 k = 0.3362 0.5459 0.5390 ( 4330 PWs) bands (ev): -13.3888 -13.3888 -13.3888 -13.3888 -10.0951 -10.0951 -10.0939 -10.0939 -9.2271 -9.2271 -9.2258 -9.2258 -2.2512 -2.2512 -2.2508 -2.2508 -1.8112 -1.8112 -1.8108 -1.8108 0.5576 0.5576 0.5619 0.5619 0.8065 0.8065 0.8122 0.8122 1.6675 1.6675 1.6779 1.6779 2.2922 2.2922 2.2969 2.2969 3.3810 3.3810 3.3827 3.3827 4.3370 4.3370 4.3392 4.3392 4.4258 4.4258 4.4268 4.4268 12.0430 12.0430 12.0446 12.0446 12.4316 12.4316 12.4395 12.4395 12.7858 12.7858 k = 0.3276 0.5319 0.5390 ( 4334 PWs) bands (ev): -13.3916 -13.3916 -13.3915 -13.3915 -10.0653 -10.0653 -10.0640 -10.0640 -9.2574 -9.2574 -9.2561 -9.2561 -2.2918 -2.2918 -2.2915 -2.2915 -1.7451 -1.7451 -1.7447 -1.7447 0.5384 0.5384 0.5427 0.5427 0.7993 0.7993 0.8052 0.8052 1.6665 1.6665 1.6769 1.6769 2.2827 2.2827 2.2876 2.2876 3.3872 3.3872 3.3892 3.3892 4.3689 4.3689 4.3710 4.3710 4.4022 4.4022 4.4030 4.4030 12.0694 12.0694 12.0707 12.0707 12.4296 12.4296 12.4378 12.4378 12.7720 12.7720 k = 0.3189 0.5179 0.5390 ( 4338 PWs) bands (ev): -13.3944 -13.3944 -13.3943 -13.3943 -10.0342 -10.0342 -10.0329 -10.0329 -9.2880 -9.2880 -9.2867 -9.2867 -2.3342 -2.3342 -2.3338 -2.3338 -1.6780 -1.6780 -1.6774 -1.6774 0.5175 0.5175 0.5217 0.5217 0.7919 0.7919 0.7982 0.7982 1.6665 1.6665 1.6769 1.6769 2.2746 2.2746 2.2798 2.2798 3.3927 3.3927 3.3949 3.3949 4.3785 4.3785 4.3795 4.3795 4.4020 4.4020 4.4042 4.4042 12.0900 12.0900 12.0908 12.0908 12.4268 12.4268 12.4353 12.4353 12.7662 12.7662 k = 0.3103 0.5039 0.5390 ( 4338 PWs) bands (ev): -13.3973 -13.3973 -13.3972 -13.3972 -10.0019 -10.0019 -10.0006 -10.0006 -9.3188 -9.3188 -9.3175 -9.3175 -2.3781 -2.3781 -2.3778 -2.3778 -1.6099 -1.6099 -1.6091 -1.6091 0.4949 0.4949 0.4989 0.4989 0.7844 0.7844 0.7910 0.7910 1.6675 1.6675 1.6779 1.6779 2.2681 2.2681 2.2735 2.2735 3.3973 3.3973 3.3998 3.3998 4.3561 4.3561 4.3570 4.3570 4.4355 4.4355 4.4375 4.4375 12.1038 12.1038 12.1041 12.1041 12.4226 12.4226 12.4314 12.4314 12.7693 12.7693 k = 0.3017 0.4899 0.5390 ( 4330 PWs) bands (ev): -13.4004 -13.4004 -13.4003 -13.4003 -9.9685 -9.9685 -9.9671 -9.9671 -9.3497 -9.3497 -9.3484 -9.3484 -2.4235 -2.4235 -2.4233 -2.4233 -1.5411 -1.5411 -1.5402 -1.5402 0.4705 0.4705 0.4743 0.4743 0.7767 0.7767 0.7836 0.7836 1.6698 1.6698 1.6800 1.6800 2.2632 2.2632 2.2688 2.2688 3.4012 3.4012 3.4039 3.4039 4.3344 4.3344 4.3352 4.3352 4.4697 4.4697 4.4716 4.4716 12.1103 12.1103 12.1105 12.1105 12.4165 12.4165 12.4254 12.4254 12.7817 12.7817 k = 0.2931 0.4759 0.5390 ( 4334 PWs) bands (ev): -13.4035 -13.4035 -13.4034 -13.4034 -9.9340 -9.9340 -9.9326 -9.9326 -9.3806 -9.3806 -9.3792 -9.3792 -2.4704 -2.4704 -2.4702 -2.4702 -1.4720 -1.4720 -1.4709 -1.4709 0.4444 0.4444 0.4481 0.4481 0.7689 0.7689 0.7761 0.7761 1.6731 1.6731 1.6832 1.6832 2.2601 2.2601 2.2660 2.2660 3.4044 3.4044 3.4074 3.4074 4.3135 4.3135 4.3143 4.3143 4.5043 4.5043 4.5061 4.5061 12.1097 12.1097 12.1103 12.1103 12.4077 12.4077 12.4168 12.4168 12.8029 12.8029 k = 0.2845 0.4619 0.5390 ( 4324 PWs) bands (ev): -13.4067 -13.4067 -13.4066 -13.4066 -9.8984 -9.8984 -9.8970 -9.8970 -9.4114 -9.4114 -9.4100 -9.4100 -2.5187 -2.5187 -2.5185 -2.5185 -1.4028 -1.4028 -1.4015 -1.4015 0.4168 0.4168 0.4202 0.4202 0.7609 0.7609 0.7685 0.7685 1.6777 1.6777 1.6875 1.6875 2.2588 2.2588 2.2649 2.2649 3.4069 3.4069 3.4102 3.4102 4.2936 4.2936 4.2943 4.2943 4.5392 4.5392 4.5408 4.5408 12.1034 12.1034 12.1043 12.1043 12.3958 12.3958 12.4051 12.4051 12.8319 12.8319 k = 0.2758 0.4479 0.5390 ( 4324 PWs) bands (ev): -13.4100 -13.4100 -13.4099 -13.4099 -9.8619 -9.8619 -9.8605 -9.8605 -9.4419 -9.4419 -9.4406 -9.4406 -2.5682 -2.5682 -2.5681 -2.5681 -1.3336 -1.3336 -1.3322 -1.3322 0.3877 0.3877 0.3909 0.3909 0.7529 0.7529 0.7608 0.7608 1.6833 1.6833 1.6929 1.6929 2.2594 2.2594 2.2657 2.2657 3.4089 3.4089 3.4125 3.4125 4.2747 4.2747 4.2754 4.2754 4.5742 4.5742 4.5757 4.5757 12.0927 12.0927 12.0939 12.0939 12.3805 12.3805 12.3898 12.3898 12.8670 12.8670 k = 0.2672 0.4339 0.5390 ( 4322 PWs) bands (ev): -13.4134 -13.4134 -13.4133 -13.4133 -9.8245 -9.8245 -9.8230 -9.8230 -9.4722 -9.4722 -9.4708 -9.4708 -2.6189 -2.6189 -2.6188 -2.6188 -1.2648 -1.2648 -1.2631 -1.2631 0.3572 0.3572 0.3602 0.3602 0.7447 0.7447 0.7529 0.7529 1.6902 1.6902 1.6995 1.6995 2.2619 2.2619 2.2684 2.2684 3.4104 3.4104 3.4144 3.4144 4.2570 4.2570 4.2576 4.2576 4.6092 4.6092 4.6105 4.6105 12.0790 12.0790 12.0804 12.0804 12.3614 12.3614 12.3708 12.3708 12.9065 12.9065 k = 0.2586 0.4199 0.5390 ( 4322 PWs) bands (ev): -13.4168 -13.4168 -13.4167 -13.4167 -9.7863 -9.7863 -9.7848 -9.7848 -9.5021 -9.5021 -9.5007 -9.5007 -2.6707 -2.6707 -2.6706 -2.6706 -1.1966 -1.1966 -1.1947 -1.1947 0.3256 0.3256 0.3283 0.3283 0.7365 0.7365 0.7450 0.7450 1.6981 1.6981 1.7071 1.7071 2.2662 2.2662 2.2730 2.2730 3.4116 3.4116 3.4158 3.4158 4.2404 4.2404 4.2409 4.2409 4.6440 4.6440 4.6452 4.6452 12.0636 12.0636 12.0653 12.0653 12.3385 12.3385 12.3478 12.3478 12.9486 12.9486 k = 0.2500 0.4059 0.5390 ( 4320 PWs) bands (ev): -13.4203 -13.4203 -13.4202 -13.4202 -9.7473 -9.7473 -9.7458 -9.7458 -9.5315 -9.5315 -9.5301 -9.5301 -2.7235 -2.7235 -2.7234 -2.7234 -1.1292 -1.1292 -1.1270 -1.1270 0.2929 0.2929 0.2954 0.2954 0.7282 0.7282 0.7370 0.7370 1.7070 1.7070 1.7157 1.7157 2.2724 2.2724 2.2794 2.2794 3.4126 3.4126 3.4171 3.4171 4.2250 4.2250 4.2254 4.2254 4.6784 4.6784 4.6794 4.6794 12.0477 12.0477 12.0494 12.0494 12.3117 12.3117 12.3209 12.3209 12.9917 12.9917 k = 0.2414 0.3919 0.5390 ( 4324 PWs) bands (ev): -13.4238 -13.4238 -13.4237 -13.4237 -9.7077 -9.7077 -9.7061 -9.7061 -9.5603 -9.5603 -9.5590 -9.5590 -2.7771 -2.7771 -2.7771 -2.7771 -1.0628 -1.0628 -1.0604 -1.0604 0.2593 0.2593 0.2616 0.2616 0.7198 0.7198 0.7289 0.7289 1.7169 1.7169 1.7253 1.7253 2.2804 2.2804 2.2876 2.2876 3.4135 3.4135 3.4183 3.4183 4.2107 4.2107 4.2111 4.2111 4.7123 4.7123 4.7132 4.7132 12.0320 12.0320 12.0339 12.0339 12.2812 12.2812 12.2903 12.2903 13.0341 13.0341 k = 0.2327 0.3779 0.5390 ( 4336 PWs) bands (ev): -13.4274 -13.4274 -13.4273 -13.4273 -9.6675 -9.6675 -9.6659 -9.6659 -9.5886 -9.5886 -9.5873 -9.5873 -2.8314 -2.8314 -2.8314 -2.8314 -0.9977 -0.9977 -0.9950 -0.9950 0.2251 0.2251 0.2271 0.2271 0.7114 0.7114 0.7208 0.7208 1.7277 1.7277 1.7357 1.7357 2.2901 2.2901 2.2975 2.2975 3.4144 3.4144 3.4195 3.4195 4.1976 4.1976 4.1979 4.1979 4.7456 4.7456 4.7463 4.7463 12.0173 12.0173 12.0193 12.0193 12.2473 12.2473 12.2562 12.2562 13.0740 13.0740 k = 0.2241 0.3639 0.5390 ( 4332 PWs) bands (ev): -13.4310 -13.4310 -13.4308 -13.4308 -9.6270 -9.6270 -9.6253 -9.6253 -9.6161 -9.6161 -9.6149 -9.6149 -2.8864 -2.8864 -2.8863 -2.8863 -0.9339 -0.9339 -0.9310 -0.9310 0.1904 0.1904 0.1922 0.1922 0.7031 0.7031 0.7127 0.7127 1.7393 1.7393 1.7470 1.7470 2.3013 2.3013 2.3089 2.3089 3.4154 3.4154 3.4209 3.4209 4.1857 4.1857 4.1859 4.1859 4.7781 4.7781 4.7786 4.7786 12.0043 12.0043 12.0063 12.0063 12.2103 12.2103 12.2190 12.2190 13.1098 13.1098 k = 0.2155 0.3500 0.5390 ( 4328 PWs) bands (ev): -13.4345 -13.4345 -13.4344 -13.4344 -9.6432 -9.6432 -9.6420 -9.6420 -9.5858 -9.5858 -9.5842 -9.5842 -2.9418 -2.9418 -2.9416 -2.9416 -0.8718 -0.8718 -0.8686 -0.8686 0.1554 0.1554 0.1570 0.1570 0.6948 0.6948 0.7046 0.7046 1.7515 1.7515 1.7589 1.7589 2.3138 2.3138 2.3216 2.3216 3.4169 3.4169 3.4226 3.4226 4.1749 4.1749 4.1751 4.1751 4.8097 4.8097 4.8101 4.8101 11.9932 11.9932 11.9953 11.9953 12.1706 12.1706 12.1790 12.1790 13.1397 13.1397 k = 0.2069 0.3360 0.5390 ( 4328 PWs) bands (ev): -13.4381 -13.4381 -13.4380 -13.4380 -9.6694 -9.6694 -9.6682 -9.6682 -9.5445 -9.5445 -9.5429 -9.5429 -2.9974 -2.9974 -2.9972 -2.9972 -0.8114 -0.8114 -0.8080 -0.8080 0.1203 0.1203 0.1217 0.1217 0.6866 0.6866 0.6967 0.6967 1.7644 1.7644 1.7714 1.7714 2.3276 2.3276 2.3355 2.3355 3.4188 3.4188 3.4249 3.4249 4.1652 4.1652 4.1653 4.1653 4.8403 4.8403 4.8405 4.8405 11.9843 11.9843 11.9866 11.9866 12.1288 12.1288 12.1369 12.1369 13.1619 13.1619 k = 0.1983 0.3220 0.5390 ( 4332 PWs) bands (ev): -13.4417 -13.4417 -13.4416 -13.4416 -9.6947 -9.6947 -9.6935 -9.6935 -9.5031 -9.5031 -9.5015 -9.5015 -3.0532 -3.0532 -3.0530 -3.0530 -0.7530 -0.7530 -0.7493 -0.7493 0.0853 0.0853 0.0865 0.0865 0.6786 0.6786 0.6888 0.6888 1.7777 1.7777 1.7844 1.7844 2.3422 2.3422 2.3503 2.3503 3.4215 3.4215 3.4278 3.4278 4.1566 4.1566 4.1566 4.1566 4.8697 4.8697 4.8698 4.8698 11.9780 11.9780 11.9803 11.9803 12.0852 12.0852 12.0930 12.0930 13.1749 13.1749 k = 0.1896 0.3080 0.5390 ( 4332 PWs) bands (ev): -13.4453 -13.4453 -13.4452 -13.4452 -9.7192 -9.7192 -9.7181 -9.7181 -9.4616 -9.4616 -9.4600 -9.4600 -3.1090 -3.1090 -3.1087 -3.1087 -0.6967 -0.6967 -0.6927 -0.6927 0.0506 0.0506 0.0516 0.0516 0.6708 0.6708 0.6812 0.6812 1.7915 1.7915 1.7978 1.7978 2.3575 2.3575 2.3657 2.3657 3.4250 3.4250 3.4316 3.4316 4.1489 4.1489 4.1490 4.1490 4.8979 4.8979 4.8979 4.8979 11.9744 11.9744 11.9767 11.9767 12.0404 12.0404 12.0478 12.0478 13.1780 13.1780 k = 0.1810 0.2940 0.5390 ( 4336 PWs) bands (ev): -13.4488 -13.4488 -13.4487 -13.4487 -9.7428 -9.7428 -9.7417 -9.7417 -9.4203 -9.4203 -9.4187 -9.4187 -3.1645 -3.1645 -3.1642 -3.1642 -0.6425 -0.6425 -0.6382 -0.6382 0.0163 0.0163 0.0172 0.0172 0.6633 0.6633 0.6738 0.6738 1.8055 1.8055 1.8115 1.8115 2.3731 2.3731 2.3814 2.3814 3.4296 3.4296 3.4363 3.4363 4.1422 4.1422 4.1423 4.1423 4.9246 4.9246 4.9248 4.9248 11.9734 11.9734 11.9752 11.9752 11.9952 11.9952 12.0018 12.0018 13.1709 13.1709 k = 0.1724 0.2800 0.5390 ( 4340 PWs) bands (ev): -13.4522 -13.4522 -13.4521 -13.4521 -9.7655 -9.7655 -9.7644 -9.7644 -9.3792 -9.3792 -9.3776 -9.3776 -3.2196 -3.2196 -3.2193 -3.2193 -0.5907 -0.5907 -0.5861 -0.5861 -0.0174 -0.0174 -0.0166 -0.0166 0.6561 0.6561 0.6668 0.6668 1.8197 1.8197 1.8253 1.8253 2.3888 2.3888 2.3972 2.3972 3.4354 3.4354 3.4423 3.4423 4.1364 4.1364 4.1366 4.1366 4.9500 4.9500 4.9504 4.9504 11.9476 11.9476 11.9549 11.9549 11.9756 11.9756 11.9784 11.9784 13.1543 13.1543 k = 0.1638 0.2660 0.5390 ( 4340 PWs) bands (ev): -13.4556 -13.4556 -13.4555 -13.4555 -9.7872 -9.7872 -9.7862 -9.7862 -9.3385 -9.3385 -9.3369 -9.3369 -3.2742 -3.2742 -3.2738 -3.2738 -0.5412 -0.5412 -0.5365 -0.5365 -0.0503 -0.0503 -0.0496 -0.0496 0.6493 0.6493 0.6600 0.6600 1.8340 1.8340 1.8393 1.8393 2.4043 2.4043 2.4126 2.4126 3.4425 3.4425 3.4496 3.4496 4.1314 4.1314 4.1316 4.1316 4.9739 4.9739 4.9744 4.9744 11.9017 11.9017 11.9085 11.9085 11.9797 11.9797 11.9824 11.9824 13.1298 13.1298 k = 0.1552 0.2520 0.5390 ( 4340 PWs) bands (ev): -13.4590 -13.4590 -13.4589 -13.4589 -9.8080 -9.8080 -9.8070 -9.8070 -9.2983 -9.2983 -9.2968 -9.2968 -3.3278 -3.3278 -3.3274 -3.3274 -0.4943 -0.4943 -0.4893 -0.4893 -0.0823 -0.0823 -0.0817 -0.0817 0.6429 0.6429 0.6537 0.6537 1.8482 1.8482 1.8532 1.8532 2.4192 2.4192 2.4275 2.4275 3.4511 3.4511 3.4583 3.4583 4.1272 4.1272 4.1275 4.1275 4.9964 4.9964 4.9970 4.9970 11.8558 11.8558 11.8623 11.8623 11.9863 11.9863 11.9891 11.9891 13.0992 13.0992 k = 0.1465 0.2380 0.5390 ( 4340 PWs) bands (ev): -13.4622 -13.4622 -13.4621 -13.4621 -9.8277 -9.8277 -9.8268 -9.8268 -9.2588 -9.2588 -9.2574 -9.2574 -3.3805 -3.3805 -3.3801 -3.3801 -0.4499 -0.4499 -0.4447 -0.4447 -0.1132 -0.1132 -0.1127 -0.1127 0.6371 0.6371 0.6478 0.6478 1.8623 1.8623 1.8670 1.8670 2.4334 2.4334 2.4416 2.4416 3.4613 3.4613 3.4684 3.4684 4.1237 4.1237 4.1240 4.1240 5.0173 5.0173 5.0180 5.0180 11.8106 11.8106 11.8167 11.8167 11.9951 11.9951 11.9978 11.9978 13.0646 13.0646 k = 0.1379 0.2240 0.5390 ( 4348 PWs) bands (ev): -13.4653 -13.4653 -13.4652 -13.4652 -9.8464 -9.8464 -9.8455 -9.8455 -9.2202 -9.2202 -9.2188 -9.2188 -3.4319 -3.4319 -3.4314 -3.4314 -0.4081 -0.4081 -0.4028 -0.4028 -0.1429 -0.1429 -0.1426 -0.1426 0.6318 0.6318 0.6425 0.6425 1.8762 1.8762 1.8806 1.8806 2.4465 2.4465 2.4546 2.4546 3.4729 3.4729 3.4800 3.4800 4.1209 4.1209 4.1212 4.1212 5.0367 5.0367 5.0375 5.0375 11.7664 11.7664 11.7722 11.7722 12.0055 12.0055 12.0081 12.0081 13.0281 13.0281 k = 0.1293 0.2100 0.5390 ( 4348 PWs) bands (ev): -13.4683 -13.4683 -13.4682 -13.4682 -9.8640 -9.8640 -9.8632 -9.8632 -9.1827 -9.1827 -9.1813 -9.1813 -3.4818 -3.4818 -3.4813 -3.4813 -0.3690 -0.3690 -0.3636 -0.3636 -0.1714 -0.1714 -0.1711 -0.1711 0.6271 0.6271 0.6376 0.6376 1.8898 1.8898 1.8938 1.8938 2.4585 2.4585 2.4663 2.4663 3.4860 3.4860 3.4930 3.4930 4.1186 4.1186 4.1190 4.1190 5.0545 5.0545 5.0554 5.0554 11.7235 11.7235 11.7289 11.7289 12.0170 12.0170 12.0196 12.0196 12.9916 12.9916 k = 0.1207 0.1960 0.5390 ( 4352 PWs) bands (ev): -13.4712 -13.4712 -13.4711 -13.4711 -9.8806 -9.8806 -9.8798 -9.8798 -9.1464 -9.1464 -9.1451 -9.1451 -3.5300 -3.5300 -3.5295 -3.5295 -0.3326 -0.3326 -0.3271 -0.3271 -0.1984 -0.1984 -0.1982 -0.1982 0.6230 0.6230 0.6333 0.6333 1.9029 1.9029 1.9067 1.9067 2.4691 2.4691 2.4767 2.4767 3.5005 3.5005 3.5073 3.5073 4.1169 4.1169 4.1173 4.1173 5.0708 5.0708 5.0717 5.0717 11.6821 11.6821 11.6871 11.6871 12.0291 12.0291 12.0316 12.0316 12.9567 12.9567 k = 0.1121 0.1820 0.5390 ( 4352 PWs) bands (ev): -13.4740 -13.4740 -13.4739 -13.4739 -9.8961 -9.8961 -9.8953 -9.8953 -9.1115 -9.1115 -9.1102 -9.1102 -3.5763 -3.5763 -3.5758 -3.5758 -0.2990 -0.2990 -0.2934 -0.2934 -0.2239 -0.2239 -0.2238 -0.2238 0.6195 0.6195 0.6296 0.6296 1.9156 1.9156 1.9191 1.9191 2.4784 2.4784 2.4856 2.4856 3.5162 3.5162 3.5228 3.5228 4.1156 4.1156 4.1160 4.1160 5.0855 5.0855 5.0865 5.0865 11.6425 11.6425 11.6472 11.6472 12.0411 12.0411 12.0435 12.0435 12.9249 12.9249 k = 0.1034 0.1680 0.5390 ( 4352 PWs) bands (ev): -13.4766 -13.4766 -13.4765 -13.4765 -9.9104 -9.9104 -9.9098 -9.9098 -9.0781 -9.0781 -9.0769 -9.0769 -3.6203 -3.6203 -3.6198 -3.6198 -0.2684 -0.2684 -0.2625 -0.2625 -0.2477 -0.2477 -0.2474 -0.2474 0.6167 0.6167 0.6265 0.6265 1.9277 1.9277 1.9309 1.9309 2.4862 2.4862 2.4931 2.4931 3.5328 3.5328 3.5391 3.5391 4.1147 4.1147 4.1151 4.1151 5.0987 5.0987 5.0998 5.0998 11.6050 11.6050 11.6093 11.6093 12.0523 12.0523 12.0545 12.0545 12.8975 12.8975 k = 0.0948 0.1540 0.5390 ( 4344 PWs) bands (ev): -13.4790 -13.4790 -13.4789 -13.4789 -9.9237 -9.9237 -9.9231 -9.9231 -9.0466 -9.0466 -9.0454 -9.0454 -3.6619 -3.6619 -3.6615 -3.6615 -0.2706 -0.2706 -0.2702 -0.2702 -0.2391 -0.2391 -0.2342 -0.2342 0.6145 0.6145 0.6239 0.6239 1.9391 1.9391 1.9420 1.9420 2.4927 2.4927 2.4992 2.4992 3.5501 3.5501 3.5561 3.5561 4.1142 4.1142 4.1145 4.1145 5.1105 5.1105 5.1115 5.1115 11.5697 11.5697 11.5737 11.5737 12.0619 12.0619 12.0639 12.0639 12.8754 12.8754 k = 0.0862 0.1400 0.5390 ( 4340 PWs) bands (ev): -13.4812 -13.4812 -13.4812 -13.4812 -9.9358 -9.9358 -9.9353 -9.9353 -9.0170 -9.0170 -9.0159 -9.0159 -3.7009 -3.7009 -3.7004 -3.7004 -0.2910 -0.2910 -0.2907 -0.2907 -0.2137 -0.2137 -0.2087 -0.2087 0.6129 0.6129 0.6218 0.6218 1.9498 1.9498 1.9525 1.9525 2.4980 2.4980 2.5039 2.5039 3.5676 3.5676 3.5732 3.5732 4.1139 4.1139 4.1142 4.1142 5.1209 5.1209 5.1219 5.1219 11.5369 11.5369 11.5405 11.5405 12.0694 12.0694 12.0711 12.0711 12.8593 12.8593 k = 0.0776 0.1260 0.5390 ( 4340 PWs) bands (ev): -13.4833 -13.4833 -13.4833 -13.4833 -9.9468 -9.9468 -9.9463 -9.9463 -8.9895 -8.9895 -8.9886 -8.9886 -3.7369 -3.7369 -3.7365 -3.7365 -0.3097 -0.3097 -0.3095 -0.3095 -0.1908 -0.1908 -0.1860 -0.1860 0.6119 0.6119 0.6201 0.6201 1.9597 1.9597 1.9621 1.9621 2.5021 2.5021 2.5075 2.5075 3.5851 3.5851 3.5903 3.5903 4.1138 4.1138 4.1141 4.1141 5.1300 5.1300 5.1310 5.1310 11.5067 11.5067 11.5100 11.5100 12.0744 12.0744 12.0759 12.0759 12.8494 12.8494 k = 0.0690 0.1120 0.5390 ( 4348 PWs) bands (ev): -13.4852 -13.4852 -13.4851 -13.4851 -9.9567 -9.9567 -9.9562 -9.9562 -8.9644 -8.9644 -8.9635 -8.9635 -3.7699 -3.7699 -3.7695 -3.7695 -0.3266 -0.3266 -0.3265 -0.3265 -0.1705 -0.1705 -0.1660 -0.1660 0.6114 0.6114 0.6189 0.6189 1.9688 1.9688 1.9709 1.9709 2.5052 2.5052 2.5101 2.5101 3.6022 3.6022 3.6069 3.6069 4.1138 4.1138 4.1141 4.1141 5.1378 5.1378 5.1387 5.1387 11.4792 11.4792 11.4822 11.4822 12.0768 12.0768 12.0780 12.0780 12.8454 12.8454 k = 0.0603 0.0980 0.5390 ( 4356 PWs) bands (ev): -13.4869 -13.4869 -13.4868 -13.4868 -9.9654 -9.9654 -9.9650 -9.9650 -8.9417 -8.9417 -8.9410 -8.9410 -3.7995 -3.7995 -3.7991 -3.7991 -0.3416 -0.3416 -0.3416 -0.3416 -0.1527 -0.1527 -0.1486 -0.1486 0.6112 0.6112 0.6181 0.6181 1.9769 1.9769 1.9787 1.9787 2.5075 2.5075 2.5118 2.5118 3.6184 3.6184 3.6226 3.6226 4.1140 4.1140 4.1143 4.1143 5.1444 5.1444 5.1453 5.1453 11.4547 11.4547 11.4573 11.4573 12.0769 12.0769 12.0778 12.0778 12.8468 12.8468 k = 0.0517 0.0840 0.5390 ( 4360 PWs) bands (ev): -13.4884 -13.4884 -13.4883 -13.4883 -9.9729 -9.9729 -9.9726 -9.9726 -8.9217 -8.9217 -8.9211 -8.9211 -3.8256 -3.8256 -3.8253 -3.8253 -0.3547 -0.3547 -0.3547 -0.3547 -0.1374 -0.1374 -0.1337 -0.1337 0.6114 0.6114 0.6174 0.6174 1.9841 1.9841 1.9856 1.9856 2.5091 2.5091 2.5129 2.5129 3.6334 3.6334 3.6370 3.6370 4.1143 4.1143 4.1145 4.1145 5.1499 5.1499 5.1507 5.1507 11.4332 11.4332 11.4354 11.4354 12.0750 12.0750 12.0757 12.0757 12.8523 12.8523 k = 0.0431 0.0700 0.5390 ( 4348 PWs) bands (ev): -13.4896 -13.4896 -13.4896 -13.4896 -9.9793 -9.9793 -9.9790 -9.9790 -8.9045 -8.9045 -8.9040 -8.9040 -3.8480 -3.8480 -3.8477 -3.8477 -0.3659 -0.3659 -0.3658 -0.3658 -0.1245 -0.1245 -0.1214 -0.1214 0.6119 0.6119 0.6170 0.6170 1.9903 1.9903 1.9915 1.9915 2.5102 2.5102 2.5134 2.5134 3.6468 3.6468 3.6498 3.6498 4.1146 4.1146 4.1148 4.1148 5.1545 5.1545 5.1552 5.1552 11.4149 11.4149 11.4168 11.4168 12.0719 12.0719 12.0724 12.0724 12.8606 12.8606 k = 0.0345 0.0560 0.5390 ( 4358 PWs) bands (ev): -13.4906 -13.4906 -13.4906 -13.4906 -9.9846 -9.9846 -9.9843 -9.9843 -8.8903 -8.8903 -8.8898 -8.8898 -3.8666 -3.8666 -3.8663 -3.8663 -0.3750 -0.3750 -0.3750 -0.3750 -0.1140 -0.1140 -0.1114 -0.1114 0.6125 0.6125 0.6167 0.6167 1.9954 1.9954 1.9964 1.9964 2.5110 2.5110 2.5135 2.5135 3.6583 3.6583 3.6608 3.6608 4.1148 4.1148 4.1150 4.1150 5.1581 5.1581 5.1587 5.1587 11.3998 11.3998 11.4013 11.4013 12.0682 12.0682 12.0686 12.0686 12.8700 12.8700 k = 0.0259 0.0420 0.5390 ( 4360 PWs) bands (ev): -13.4914 -13.4914 -13.4914 -13.4914 -9.9886 -9.9886 -9.9884 -9.9884 -8.8790 -8.8790 -8.8787 -8.8787 -3.8811 -3.8811 -3.8810 -3.8810 -0.3822 -0.3822 -0.3821 -0.3821 -0.1058 -0.1058 -0.1038 -0.1038 0.6132 0.6132 0.6164 0.6164 1.9994 1.9994 2.0002 2.0002 2.5115 2.5115 2.5134 2.5134 3.6676 3.6676 3.6695 3.6695 4.1151 4.1151 4.1152 4.1152 5.1608 5.1608 5.1613 5.1613 11.3881 11.3881 11.3892 11.3892 12.0646 12.0646 12.0648 12.0648 12.8792 12.8793 k = 0.0172 0.0280 0.5390 ( 4360 PWs) bands (ev): -13.4920 -13.4920 -13.4920 -13.4920 -9.9915 -9.9915 -9.9914 -9.9914 -8.8709 -8.8709 -8.8707 -8.8707 -3.8916 -3.8916 -3.8915 -3.8915 -0.3873 -0.3873 -0.3873 -0.3873 -0.0999 -0.0999 -0.0986 -0.0986 0.6140 0.6140 0.6161 0.6161 2.0024 2.0024 2.0029 2.0029 2.5118 2.5118 2.5131 2.5131 3.6745 3.6745 3.6757 3.6757 4.1153 4.1153 4.1154 4.1154 5.1628 5.1628 5.1631 5.1631 11.3797 11.3797 11.3804 11.3804 12.0616 12.0616 12.0617 12.0617 12.8870 12.8871 k = 0.0086 0.0140 0.5390 ( 4360 PWs) bands (ev): -13.4924 -13.4924 -13.4924 -13.4924 -9.9932 -9.9932 -9.9932 -9.9932 -8.8660 -8.8660 -8.8659 -8.8659 -3.8979 -3.8979 -3.8978 -3.8978 -0.3904 -0.3904 -0.3903 -0.3903 -0.0962 -0.0962 -0.0956 -0.0956 0.6146 0.6146 0.6157 0.6157 2.0042 2.0042 2.0044 2.0044 2.5122 2.5122 2.5128 2.5128 3.6788 3.6788 3.6795 3.6795 4.1154 4.1154 4.1155 4.1155 5.1639 5.1639 5.1641 5.1641 11.3747 11.3747 11.3751 11.3751 12.0596 12.0596 12.0597 12.0597 12.8921 12.8921 k = 0.0000 0.0000 0.5390 ( 4364 PWs) bands (ev): -13.4925 -13.4925 -13.4925 -13.4925 -9.9938 -9.9938 -9.9938 -9.9938 -8.8643 -8.8643 -8.8643 -8.8643 -3.9000 -3.9000 -3.9000 -3.9000 -0.3914 -0.3914 -0.3914 -0.3914 -0.0948 -0.0948 -0.0948 -0.0948 0.6152 0.6152 0.6152 0.6152 2.0049 2.0049 2.0049 2.0049 2.5125 2.5125 2.5125 2.5125 3.6805 3.6805 3.6805 3.6805 4.1155 4.1155 4.1155 4.1155 5.1644 5.1644 5.1644 5.1644 11.3732 11.3732 11.3732 11.3732 12.0589 12.0589 12.0589 12.0589 12.8939 12.8939 k = 0.0000 0.0000 0.5390 ( 4364 PWs) bands (ev): -13.4925 -13.4925 -13.4925 -13.4925 -9.9938 -9.9938 -9.9938 -9.9938 -8.8643 -8.8643 -8.8643 -8.8643 -3.9000 -3.9000 -3.9000 -3.9000 -0.3914 -0.3914 -0.3914 -0.3914 -0.0948 -0.0948 -0.0948 -0.0948 0.6152 0.6152 0.6152 0.6152 2.0049 2.0049 2.0049 2.0049 2.5125 2.5125 2.5125 2.5125 3.6805 3.6805 3.6805 3.6805 4.1155 4.1155 4.1155 4.1155 5.1644 5.1644 5.1644 5.1644 11.3732 11.3732 11.3732 11.3732 12.0589 12.0589 12.0589 12.0589 12.8939 12.8939 k = 0.0000 0.0000 0.5226 ( 4372 PWs) bands (ev): -13.5049 -13.5049 -13.4803 -13.4803 -10.0347 -10.0347 -9.9519 -9.9519 -8.8740 -8.8740 -8.8552 -8.8552 -3.9042 -3.9042 -3.8932 -3.8932 -0.4122 -0.4122 -0.3703 -0.3703 -0.1902 -0.1902 -0.0112 -0.0112 0.6167 0.6167 0.6250 0.6250 1.9747 1.9747 2.0304 2.0304 2.5077 2.5077 2.5198 2.5198 3.6719 3.6719 3.6890 3.6890 4.0931 4.0931 4.1370 4.1370 5.1454 5.1454 5.1815 5.1815 11.3632 11.3632 11.3925 11.3925 12.0541 12.0541 12.0596 12.0596 12.8837 12.8837 k = 0.0000 0.0000 0.5063 ( 4372 PWs) bands (ev): -13.5173 -13.5173 -13.4682 -13.4682 -10.0744 -10.0744 -9.9089 -9.9089 -8.8841 -8.8841 -8.8465 -8.8465 -3.9057 -3.9057 -3.8840 -3.8840 -0.4326 -0.4326 -0.3490 -0.3490 -0.2938 -0.2938 0.0561 0.0561 0.6334 0.6334 0.6429 0.6429 1.9400 1.9400 2.0513 2.0513 2.5053 2.5053 2.5300 2.5300 3.6632 3.6632 3.6973 3.6973 4.0699 4.0699 4.1575 4.1575 5.1247 5.1247 5.1967 5.1967 11.3628 11.3628 11.4211 11.4211 12.0439 12.0439 12.0571 12.0571 12.8764 12.8764 k = 0.0000 0.0000 0.4900 ( 4362 PWs) bands (ev): -13.5299 -13.5299 -13.4563 -13.4563 -10.1130 -10.1130 -9.8650 -9.8650 -8.8946 -8.8946 -8.8384 -8.8384 -3.9047 -3.9047 -3.8723 -3.8723 -0.4524 -0.4524 -0.4030 -0.4030 -0.3272 -0.3272 0.1036 0.1036 0.6639 0.6639 0.6709 0.6709 1.9009 1.9009 2.0672 2.0672 2.5050 2.5050 2.5432 2.5432 3.6544 3.6544 3.7055 3.7055 4.0458 4.0458 4.1771 4.1771 5.1021 5.1021 5.2100 5.2100 11.3719 11.3719 11.4586 11.4586 12.0276 12.0276 12.0524 12.0524 12.8734 12.8734 k = 0.0000 0.0000 0.4736 ( 4360 PWs) bands (ev): -13.5424 -13.5424 -13.4446 -13.4446 -10.1504 -10.1504 -9.8202 -9.8202 -8.9055 -8.9055 -8.8309 -8.8309 -3.9010 -3.9010 -3.8583 -3.8583 -0.5154 -0.5154 -0.4718 -0.4718 -0.3057 -0.3057 0.1311 0.1311 0.6920 0.6920 0.7234 0.7234 1.8578 1.8578 2.0782 2.0782 2.5066 2.5066 2.5598 2.5598 3.6456 3.6456 3.7135 3.7135 4.0212 4.0212 4.1958 4.1958 5.0778 5.0778 5.2215 5.2215 11.3906 11.3906 11.5047 11.5047 12.0042 12.0042 12.0462 12.0462 12.8760 12.8760 k = 0.0000 0.0000 0.4573 ( 4352 PWs) bands (ev): -13.5550 -13.5550 -13.4332 -13.4332 -10.1866 -10.1866 -9.7746 -9.7746 -8.9167 -8.9167 -8.8239 -8.8239 -3.8947 -3.8947 -3.8421 -3.8421 -0.6300 -0.6300 -0.4904 -0.4904 -0.2841 -0.2841 0.1419 0.1419 0.7220 0.7220 0.7913 0.7913 1.8108 1.8108 2.0841 2.0841 2.5099 2.5099 2.5799 2.5799 3.6368 3.6368 3.7213 3.7213 3.9961 3.9961 4.2137 4.2137 5.0519 5.0519 5.2311 5.2311 11.4186 11.4186 11.5589 11.5589 11.9736 11.9736 12.0391 12.0391 12.8850 12.8850 k = 0.0000 0.0000 0.4410 ( 4344 PWs) bands (ev): -13.5676 -13.5676 -13.4220 -13.4220 -10.2215 -10.2215 -9.7283 -9.7283 -8.9282 -8.9282 -8.8175 -8.8175 -3.8858 -3.8858 -3.8237 -3.8237 -0.7459 -0.7459 -0.5083 -0.5083 -0.2625 -0.2625 0.1408 0.1408 0.7540 0.7540 0.8686 0.8686 1.7601 1.7601 2.0850 2.0850 2.5148 2.5148 2.6039 2.6039 3.6280 3.6280 3.7289 3.7289 3.9707 3.9707 4.2309 4.2309 5.0244 5.0244 5.2390 5.2390 11.4559 11.4559 11.6208 11.6208 11.9357 11.9357 12.0317 12.0317 12.9008 12.9008 k = 0.0000 0.0000 0.4246 ( 4344 PWs) bands (ev): -13.5801 -13.5801 -13.4111 -13.4111 -10.2552 -10.2552 -9.6813 -9.6813 -8.9399 -8.9399 -8.8116 -8.8116 -3.8743 -3.8743 -3.8033 -3.8033 -0.8621 -0.8621 -0.5254 -0.5254 -0.2411 -0.2411 0.1318 0.1318 0.7875 0.7875 0.9505 0.9505 1.7060 1.7060 2.0807 2.0807 2.5210 2.5210 2.6320 2.6320 3.6192 3.6192 3.7362 3.7362 3.9454 3.9454 4.2474 4.2474 4.9955 4.9955 5.2452 5.2452 11.5021 11.5021 11.6896 11.6896 11.8910 11.8910 12.0241 12.0241 12.9231 12.9231 k = 0.0000 0.0000 0.4083 ( 4348 PWs) bands (ev): -13.5925 -13.5925 -13.4005 -13.4005 -10.2876 -10.2876 -9.6338 -9.6338 -8.9518 -8.9518 -8.8064 -8.8064 -3.8604 -3.8604 -3.7811 -3.7811 -0.9782 -0.9782 -0.5416 -0.5416 -0.2200 -0.2200 0.1178 0.1178 0.8224 0.8224 1.0338 1.0338 1.6487 1.6487 2.0715 2.0715 2.5284 2.5284 2.6645 2.6645 3.6105 3.6105 3.7433 3.7433 3.9203 3.9203 4.2634 4.2634 4.9653 4.9653 5.2498 5.2498 11.5569 11.5569 11.7645 11.7645 11.8403 11.8403 12.0167 12.0167 12.9329 12.9329 k = 0.0000 0.0000 0.3920 ( 4354 PWs) bands (ev): -13.6048 -13.6048 -13.3903 -13.3903 -10.3187 -10.3187 -9.5858 -9.5858 -8.9638 -8.9638 -8.8017 -8.8017 -3.8440 -3.8440 -3.7571 -3.7571 -1.0936 -1.0936 -0.5567 -0.5567 -0.1991 -0.1991 0.1009 0.1009 0.8582 0.8582 1.1160 1.1160 1.5887 1.5887 2.0572 2.0572 2.5368 2.5368 2.7014 2.7014 3.6019 3.6019 3.7502 3.7502 3.8956 3.8956 4.2790 4.2790 4.9339 4.9339 5.2529 5.2529 11.6201 11.6201 11.7843 11.7843 11.8446 11.8446 12.0095 12.0095 12.9254 12.9254 k = 0.0000 0.0000 0.3756 ( 4352 PWs) bands (ev): -13.6169 -13.6169 -13.3803 -13.3803 -10.3485 -10.3485 -9.5376 -9.5376 -8.9759 -8.9759 -8.7976 -8.7976 -3.8253 -3.8253 -3.7317 -3.7317 -1.2079 -1.2079 -0.5709 -0.5709 -0.1786 -0.1786 0.0821 0.0821 0.8947 0.8947 1.1956 1.1956 1.5261 1.5261 2.0381 2.0381 2.5461 2.5461 2.7430 2.7430 3.5934 3.5934 3.7568 3.7568 3.8717 3.8717 4.2943 4.2943 4.9015 4.9015 5.2546 5.2546 11.6911 11.6911 11.7241 11.7241 11.9285 11.9285 12.0028 12.0028 12.9151 12.9151 k = 0.0000 0.0000 0.3593 ( 4350 PWs) bands (ev): -13.6289 -13.6289 -13.3707 -13.3707 -10.3769 -10.3769 -9.4892 -9.4892 -8.9879 -8.9879 -8.7940 -8.7940 -3.8045 -3.8045 -3.7049 -3.7049 -1.3208 -1.3208 -0.5838 -0.5838 -0.1585 -0.1585 0.0624 0.0624 0.9318 0.9318 1.2713 1.2713 1.4614 1.4614 2.0143 2.0143 2.5559 2.5559 2.7891 2.7891 3.5850 3.5850 3.7631 3.7631 3.8488 3.8488 4.3093 4.3093 4.8683 4.8683 5.2551 5.2551 11.6602 11.6602 11.7697 11.7697 11.9961 11.9961 12.0149 12.0149 12.9026 12.9026 k = 0.0000 0.0000 0.3430 ( 4326 PWs) bands (ev): -13.6405 -13.6405 -13.3615 -13.3615 -10.4041 -10.4041 -9.4407 -9.4407 -8.9999 -8.9999 -8.7909 -8.7909 -3.7816 -3.7816 -3.6770 -3.6770 -1.4317 -1.4317 -0.5956 -0.5956 -0.1389 -0.1389 0.0422 0.0422 0.9692 0.9692 1.3426 1.3426 1.3950 1.3950 1.9861 1.9861 2.5663 2.5663 2.8395 2.8395 3.5769 3.5769 3.7690 3.7690 3.8271 3.8271 4.3240 4.3240 4.8344 4.8344 5.2545 5.2545 11.5937 11.5937 11.8551 11.8551 11.9903 11.9903 12.1008 12.1008 12.8883 12.8883 k = 0.0000 0.0000 0.3266 ( 4326 PWs) bands (ev): -13.6520 -13.6520 -13.3526 -13.3526 -10.4300 -10.4300 -9.3924 -9.3924 -9.0117 -9.0117 -8.7883 -8.7883 -3.7568 -3.7568 -3.6481 -3.6481 -1.5405 -1.5405 -0.6061 -0.6061 -0.1199 -0.1199 0.0221 0.0221 1.0069 1.0069 1.3270 1.3270 1.4091 1.4091 1.9537 1.9537 2.5769 2.5769 2.8941 2.8941 3.5690 3.5690 3.7744 3.7744 3.8070 3.8070 4.3386 4.3386 4.8000 4.8000 5.2529 5.2529 11.5253 11.5253 11.9470 11.9470 11.9848 11.9848 12.1835 12.1835 12.8725 12.8725 k = 0.0000 0.0000 0.3103 ( 4326 PWs) bands (ev): -13.6631 -13.6631 -13.3442 -13.3442 -10.4545 -10.4545 -9.3444 -9.3444 -9.0234 -9.0234 -8.7862 -8.7862 -3.7303 -3.7303 -3.6185 -3.6185 -1.6467 -1.6467 -0.6154 -0.6154 -0.1015 -0.1015 0.0021 0.0021 1.0446 1.0446 1.2581 1.2581 1.4703 1.4703 1.9175 1.9175 2.5877 2.5877 2.9523 2.9523 3.5613 3.5613 3.7772 3.7772 3.7907 3.7907 4.3530 4.3530 4.7653 4.7653 5.2506 5.2506 11.4555 11.4555 11.9796 11.9796 12.0449 12.0449 12.2583 12.2583 12.8556 12.8556 k = 0.0000 0.0000 0.2940 ( 4330 PWs) bands (ev): -13.6739 -13.6739 -13.3361 -13.3361 -10.4777 -10.4777 -9.2969 -9.2969 -9.0349 -9.0349 -8.7845 -8.7845 -3.7023 -3.7023 -3.5884 -3.5884 -1.7501 -1.7501 -0.6232 -0.6232 -0.0838 -0.0838 -0.0173 -0.0173 1.0823 1.0823 1.1887 1.1887 1.5265 1.5265 1.8780 1.8780 2.5985 2.5985 3.0134 3.0134 3.5540 3.5540 3.7667 3.7667 3.7889 3.7889 4.3673 4.3673 4.7305 4.7305 5.2477 5.2477 11.3851 11.3851 11.9747 11.9747 12.1480 12.1480 12.3194 12.3194 12.8377 12.8377 k = 0.0000 0.0000 0.2776 ( 4334 PWs) bands (ev): -13.6843 -13.6843 -13.3284 -13.3284 -10.4997 -10.4997 -9.2500 -9.2500 -9.0460 -9.0460 -8.7831 -8.7831 -3.6731 -3.6731 -3.5580 -3.5580 -1.8504 -1.8504 -0.6297 -0.6297 -0.0668 -0.0668 -0.0362 -0.0362 1.1167 1.1167 1.1220 1.1220 1.5776 1.5776 1.8355 1.8355 2.6090 2.6090 3.0768 3.0768 3.5471 3.5471 3.7513 3.7513 3.7932 3.7932 4.3815 4.3815 4.6957 4.6957 5.2443 5.2443 11.3145 11.3145 11.9701 11.9701 12.2558 12.2558 12.3608 12.3608 12.8192 12.8192 k = 0.0000 0.0000 0.2613 ( 4336 PWs) bands (ev): -13.6943 -13.6943 -13.3212 -13.3212 -10.5203 -10.5203 -9.2041 -9.2041 -9.0568 -9.0568 -8.7821 -8.7821 -3.6428 -3.6428 -3.5276 -3.5276 -1.9472 -1.9472 -0.6348 -0.6348 -0.0552 -0.0552 -0.0497 -0.0497 1.0495 1.0495 1.1568 1.1568 1.6241 1.6241 1.7907 1.7907 2.6193 2.6193 3.1416 3.1416 3.5406 3.5406 3.7367 3.7367 3.7981 3.7981 4.3954 4.3954 4.6613 4.6613 5.2406 5.2406 11.2443 11.2443 11.9658 11.9658 12.3670 12.3670 12.3796 12.3796 12.8002 12.8002 k = 0.0000 0.0000 0.2450 ( 4336 PWs) bands (ev): -13.7038 -13.7038 -13.3143 -13.3143 -10.5396 -10.5396 -9.1592 -9.1592 -9.0673 -9.0673 -8.7815 -8.7815 -3.6118 -3.6118 -3.4973 -3.4973 -2.0402 -2.0402 -0.6386 -0.6386 -0.0720 -0.0720 -0.0349 -0.0349 0.9809 0.9809 1.1932 1.1932 1.6660 1.6660 1.7439 1.7439 2.6291 2.6291 3.2069 3.2069 3.5348 3.5348 3.7233 3.7233 3.8031 3.8031 4.4092 4.4092 4.6273 4.6273 5.2369 5.2369 11.1749 11.1749 11.9617 11.9617 12.3742 12.3742 12.4832 12.4832 12.7810 12.7810 k = 0.0000 0.0000 0.2287 ( 4336 PWs) bands (ev): -13.7129 -13.7129 -13.3079 -13.3079 -10.5576 -10.5576 -9.1156 -9.1156 -9.0772 -9.0772 -8.7811 -8.7811 -3.5803 -3.5803 -3.4675 -3.4675 -2.1292 -2.1292 -0.6409 -0.6409 -0.0885 -0.0885 -0.0203 -0.0203 0.9134 0.9134 1.2289 1.2289 1.6957 1.6957 1.7042 1.7042 2.6383 2.6383 3.2715 3.2715 3.5299 3.5299 3.7113 3.7113 3.8079 3.8079 4.4226 4.4226 4.5941 4.5941 5.2333 5.2333 11.1070 11.1070 11.9579 11.9579 12.3520 12.3520 12.6012 12.6012 12.7617 12.7617 k = 0.0000 0.0000 0.2123 ( 4340 PWs) bands (ev): -13.7215 -13.7215 -13.3019 -13.3019 -10.5744 -10.5744 -9.0869 -9.0869 -9.0733 -9.0733 -8.7809 -8.7809 -3.5486 -3.5486 -3.4385 -3.4385 -2.2138 -2.2138 -0.6420 -0.6420 -0.1041 -0.1041 -0.0066 -0.0066 0.8476 0.8476 1.2636 1.2636 1.6472 1.6472 1.7380 1.7380 2.6467 2.6467 3.3339 3.3339 3.5265 3.5265 3.7006 3.7006 3.8127 3.8127 4.4357 4.4357 4.5618 4.5618 5.2299 5.2299 11.0409 11.0409 11.9542 11.9542 12.3179 12.3179 12.7211 12.7211 12.7426 12.7426 k = 0.0000 0.0000 0.1960 ( 4332 PWs) bands (ev): -13.7296 -13.7296 -13.2963 -13.2963 -10.5898 -10.5898 -9.0958 -9.0958 -9.0331 -9.0331 -8.7809 -8.7809 -3.5171 -3.5171 -3.4103 -3.4103 -2.2937 -2.2937 -0.6418 -0.6418 -0.1186 -0.1186 0.0062 0.0062 0.7840 0.7840 1.2972 1.2972 1.5984 1.5984 1.7686 1.7686 2.6544 2.6544 3.3919 3.3919 3.5262 3.5262 3.6911 3.6911 3.8175 3.8175 4.4483 4.4483 4.5306 4.5306 5.2268 5.2268 10.9772 10.9772 11.9508 11.9508 12.2771 12.2771 12.7234 12.7234 12.8424 12.8424 k = 0.0000 0.0000 0.1797 ( 4330 PWs) bands (ev): -13.7372 -13.7372 -13.2912 -13.2912 -10.6040 -10.6040 -9.1042 -9.1042 -8.9949 -8.9949 -8.7811 -8.7811 -3.4862 -3.4862 -3.3834 -3.3834 -2.3686 -2.3686 -0.6405 -0.6405 -0.1322 -0.1322 0.0180 0.0180 0.7230 0.7230 1.3294 1.3294 1.5502 1.5502 1.7959 1.7959 2.6613 2.6613 3.4398 3.4398 3.5338 3.5338 3.6828 3.6828 3.8222 3.8222 4.4604 4.4604 4.5008 4.5008 5.2242 5.2242 10.9163 10.9163 11.9476 11.9476 12.2331 12.2331 12.7048 12.7048 12.9638 12.9638 k = 0.0000 0.0000 0.1633 ( 4326 PWs) bands (ev): -13.7441 -13.7441 -13.2865 -13.2865 -10.6170 -10.6170 -9.1120 -9.1120 -8.9589 -8.9589 -8.7813 -8.7813 -3.4561 -3.4561 -3.3578 -3.3578 -2.4382 -2.4382 -0.6381 -0.6381 -0.1446 -0.1446 0.0288 0.0288 0.6651 0.6651 1.3601 1.3601 1.5032 1.5032 1.8203 1.8203 2.6673 2.6673 3.4678 3.4678 3.5584 3.5584 3.6756 3.6756 3.8268 3.8268 4.4714 4.4714 4.4730 4.4730 5.2222 5.2222 10.8586 10.8586 11.9446 11.9446 12.1885 12.1885 12.6869 12.6869 13.0845 13.0845 k = 0.0000 0.0000 0.1470 ( 4322 PWs) bands (ev): -13.7505 -13.7505 -13.2823 -13.2823 -10.6286 -10.6286 -9.1192 -9.1192 -8.9254 -8.9254 -8.7817 -8.7817 -3.4273 -3.4273 -3.3339 -3.3339 -2.5022 -2.5022 -0.6350 -0.6350 -0.1560 -0.1560 0.0387 0.0387 0.6109 0.6109 1.3888 1.3888 1.4581 1.4581 1.8419 1.8419 2.6723 2.6723 3.4770 3.4770 3.5982 3.5982 3.6695 3.6695 3.8313 3.8313 4.4460 4.4460 4.4828 4.4828 5.2207 5.2207 10.8047 10.8047 11.9419 11.9419 12.1452 12.1452 12.6697 12.6697 13.2034 13.2034 k = 0.0000 0.0000 0.1307 ( 4322 PWs) bands (ev): -13.7562 -13.7562 -13.2785 -13.2785 -10.6391 -10.6391 -9.1257 -9.1257 -8.8946 -8.8946 -8.7821 -8.7821 -3.4002 -3.4002 -3.3119 -3.3119 -2.5604 -2.5604 -0.6312 -0.6312 -0.1663 -0.1663 0.0475 0.0475 0.5608 0.5608 1.4149 1.4149 1.4161 1.4161 1.8609 1.8609 2.6765 2.6765 3.4786 3.4786 3.6405 3.6405 3.6653 3.6653 3.8358 3.8358 4.4215 4.4215 4.4927 4.4927 5.2198 5.2198 10.7550 10.7550 11.9394 11.9394 12.1043 12.1043 12.6536 12.6536 13.3192 13.3192 k = 0.0000 0.0000 0.1143 ( 4324 PWs) bands (ev): -13.7614 -13.7614 -13.2751 -13.2751 -10.6483 -10.6483 -9.1315 -9.1315 -8.8668 -8.8668 -8.7826 -8.7826 -3.3751 -3.3751 -3.2920 -3.2920 -2.6125 -2.6125 -0.6270 -0.6270 -0.1753 -0.1753 0.0552 0.0552 0.5153 0.5153 1.3760 1.3760 1.4399 1.4399 1.8775 1.8775 2.6799 2.6799 3.4777 3.4777 3.6572 3.6572 3.6856 3.6856 3.8400 3.8400 4.3992 4.3992 4.5018 4.5018 5.2195 5.2195 10.7099 10.7099 11.9372 11.9372 12.0667 12.0667 12.6387 12.6387 13.4307 13.4307 k = 0.0000 0.0000 0.0980 ( 4336 PWs) bands (ev): -13.7658 -13.7658 -13.2722 -13.2722 -10.6562 -10.6562 -9.1366 -9.1366 -8.8423 -8.8423 -8.7830 -8.7830 -3.3525 -3.3525 -3.2743 -3.2743 -2.6582 -2.6582 -0.6226 -0.6226 -0.1832 -0.1832 0.0619 0.0619 0.4749 0.4749 1.3403 1.3403 1.4616 1.4616 1.8916 1.8916 2.6826 2.6826 3.4761 3.4761 3.6543 3.6543 3.7222 3.7222 3.8441 3.8441 4.3793 4.3793 4.5098 4.5098 5.2195 5.2195 10.6699 10.6699 11.9352 11.9352 12.0332 12.0332 12.6253 12.6253 13.5361 13.5361 k = 0.0000 0.0000 0.0817 ( 4338 PWs) bands (ev): -13.7697 -13.7697 -13.2698 -13.2698 -10.6629 -10.6629 -9.1409 -9.1409 -8.8211 -8.8211 -8.7834 -8.7834 -3.3326 -3.3326 -3.2591 -3.2591 -2.6973 -2.6973 -0.6184 -0.6184 -0.1900 -0.1900 0.0675 0.0675 0.4399 0.4399 1.3089 1.3089 1.4805 1.4805 1.9035 1.9035 2.6846 2.6846 3.4743 3.4743 3.6513 3.6513 3.7544 3.7544 3.8478 3.8478 4.3620 4.3620 4.5168 4.5168 5.2200 5.2200 10.6353 10.6353 11.9336 11.9336 12.0041 12.0041 12.6135 12.6135 13.6334 13.6334 k = 0.0000 0.0000 0.0653 ( 4332 PWs) bands (ev): -13.7728 -13.7728 -13.2677 -13.2677 -10.6684 -10.6684 -9.1445 -9.1445 -8.8036 -8.8036 -8.7837 -8.7837 -3.3158 -3.3158 -3.2464 -3.2464 -2.7295 -2.7295 -0.6144 -0.6144 -0.1955 -0.1955 0.0720 0.0720 0.4108 0.4108 1.2824 1.2824 1.4964 1.4964 1.9131 1.9131 2.6860 2.6860 3.4727 3.4727 3.6489 3.6489 3.7812 3.7812 3.8512 3.8512 4.3475 4.3475 4.5226 4.5226 5.2206 5.2206 10.6065 10.6065 11.9322 11.9322 11.9798 11.9798 12.6035 12.6035 13.7204 13.7204 k = 0.0000 0.0000 0.0490 ( 4330 PWs) bands (ev): -13.7752 -13.7752 -13.2662 -13.2662 -10.6727 -10.6727 -9.1473 -9.1473 -8.7900 -8.7900 -8.7837 -8.7837 -3.3024 -3.3024 -3.2364 -3.2364 -2.7548 -2.7548 -0.6110 -0.6110 -0.1998 -0.1998 0.0755 0.0755 0.3878 0.3878 1.2613 1.2613 1.5089 1.5089 1.9206 1.9206 2.6870 2.6870 3.4713 3.4713 3.6470 3.6470 3.8022 3.8022 3.8541 3.8541 4.3360 4.3360 4.5272 4.5272 5.2213 5.2213 10.5837 10.5837 11.9311 11.9311 11.9607 11.9607 12.5956 12.5956 13.7941 13.7941 k = 0.0000 0.0000 0.0327 ( 4326 PWs) bands (ev): -13.7770 -13.7770 -13.2651 -13.2651 -10.6757 -10.6757 -9.1493 -9.1493 -8.7848 -8.7848 -8.7791 -8.7791 -3.2927 -3.2927 -3.2292 -3.2292 -2.7730 -2.7730 -0.6085 -0.6085 -0.2028 -0.2028 0.0779 0.0779 0.3713 0.3713 1.2459 1.2459 1.5180 1.5180 1.9259 1.9259 2.6876 2.6876 3.4703 3.4703 3.6457 3.6457 3.8170 3.8170 3.8565 3.8565 4.3276 4.3276 4.5306 4.5306 5.2219 5.2219 10.5673 10.5673 11.9304 11.9304 11.9469 11.9469 12.5898 12.5898 13.8510 13.8510 k = 0.0000 0.0000 0.0163 ( 4326 PWs) bands (ev): -13.7781 -13.7781 -13.2644 -13.2644 -10.6775 -10.6775 -9.1505 -9.1505 -8.7847 -8.7847 -8.7733 -8.7733 -3.2868 -3.2868 -3.2248 -3.2248 -2.7839 -2.7839 -0.6069 -0.6069 -0.2047 -0.2047 0.0794 0.0794 0.3612 0.3612 1.2365 1.2365 1.5235 1.5235 1.9291 1.9291 2.6880 2.6880 3.4697 3.4697 3.6449 3.6449 3.8259 3.8259 3.8581 3.8581 4.3226 4.3226 4.5326 4.5326 5.2223 5.2223 10.5574 10.5574 11.9299 11.9299 11.9386 11.9386 12.5863 12.5863 13.8872 13.8872 k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.7784 -13.7784 -13.2642 -13.2642 -10.6782 -10.6782 -9.1509 -9.1509 -8.7847 -8.7847 -8.7714 -8.7714 -3.2848 -3.2848 -3.2234 -3.2234 -2.7876 -2.7876 -0.6063 -0.6063 -0.2053 -0.2053 0.0799 0.0799 0.3579 0.3579 1.2334 1.2334 1.5254 1.5254 1.9302 1.9302 2.6881 2.6881 3.4695 3.4695 3.6446 3.6446 3.8288 3.8288 3.8587 3.8587 4.3209 4.3209 4.5332 4.5332 5.2224 5.2224 10.5541 10.5541 11.9297 11.9297 11.9358 11.9358 12.5852 12.5852 13.8996 13.8996 k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.7784 -13.7784 -13.2642 -13.2642 -10.6782 -10.6782 -9.1509 -9.1509 -8.7847 -8.7847 -8.7714 -8.7714 -3.2848 -3.2848 -3.2234 -3.2234 -2.7876 -2.7876 -0.6063 -0.6063 -0.2053 -0.2053 0.0799 0.0799 0.3579 0.3579 1.2334 1.2334 1.5254 1.5254 1.9302 1.9302 2.6881 2.6881 3.4695 3.4695 3.6446 3.6446 3.8288 3.8288 3.8587 3.8587 4.3209 4.3209 4.5332 4.5332 5.2224 5.2224 10.5541 10.5541 11.9297 11.9297 11.9358 11.9358 12.5852 12.5852 13.8996 13.8996 k =-0.0139 0.0086 0.0000 ( 4327 PWs) bands (ev): -13.7779 -13.7779 -13.2642 -13.2642 -10.6796 -10.6796 -9.1507 -9.1506 -8.7883 -8.7861 -8.7700 -8.7676 -3.2867 -3.2865 -3.2212 -3.2210 -2.7847 -2.7846 -0.6076 -0.6072 -0.2035 -0.2034 0.0784 0.0785 0.3561 0.3563 1.2320 1.2321 1.5267 1.5267 1.9317 1.9319 2.6880 2.6881 3.4680 3.4685 3.6418 3.6424 3.8280 3.8280 3.8582 3.8582 4.3213 4.3214 4.5339 4.5339 5.2224 5.2224 10.5574 10.5574 11.8858 11.8873 11.9791 11.9796 12.5852 12.5855 13.8680 13.8725 k =-0.0278 0.0171 0.0000 ( 4333 PWs) bands (ev): -13.7765 -13.7765 -13.2643 -13.2642 -10.6839 -10.6838 -9.1499 -9.1497 -8.7936 -8.7909 -8.7650 -8.7620 -3.2921 -3.2917 -3.2147 -3.2143 -2.7760 -2.7758 -0.6110 -0.6103 -0.1980 -0.1977 0.0741 0.0742 0.3510 0.3515 1.2280 1.2283 1.5306 1.5307 1.9365 1.9369 2.6880 2.6882 3.4639 3.4650 3.6340 3.6351 3.8257 3.8258 3.8565 3.8565 4.3227 4.3228 4.5358 4.5359 5.2222 5.2222 10.5672 10.5672 11.8401 11.8421 12.0256 12.0257 12.5857 12.5863 13.8322 13.8369 k =-0.0417 0.0257 0.0000 ( 4335 PWs) bands (ev): -13.7742 -13.7741 -13.2644 -13.2643 -10.6910 -10.6909 -9.1486 -9.1483 -8.7993 -8.7965 -8.7592 -8.7559 -3.3007 -3.3001 -3.2037 -3.2031 -2.7620 -2.7616 -0.6165 -0.6154 -0.1890 -0.1885 0.0670 0.0672 0.3427 0.3433 1.2216 1.2220 1.5371 1.5372 1.9445 1.9450 2.6879 2.6883 3.4570 3.4587 3.6215 3.6231 3.8219 3.8221 3.8536 3.8537 4.3252 4.3254 4.5390 4.5390 5.2218 5.2218 10.5836 10.5836 11.7955 11.7980 12.0713 12.0719 12.5866 12.5874 13.7969 13.8017 k =-0.0556 0.0342 0.0000 ( 4327 PWs) bands (ev): -13.7709 -13.7708 -13.2646 -13.2644 -10.7009 -10.7008 -9.1467 -9.1464 -8.8050 -8.8021 -8.7531 -8.7497 -3.3117 -3.3110 -3.1884 -3.1876 -2.7433 -2.7427 -0.6237 -0.6223 -0.1765 -0.1759 0.0571 0.0573 0.3313 0.3321 1.2127 1.2132 1.5461 1.5463 1.9556 1.9562 2.6879 2.6885 3.4470 3.4491 3.6049 3.6070 3.8167 3.8169 3.8495 3.8496 4.3290 4.3291 4.5432 4.5432 5.2213 5.2213 10.6063 10.6063 11.7525 11.7554 12.1162 12.1173 12.5877 12.5888 13.7624 13.7672 k =-0.0694 0.0428 0.0000 ( 4333 PWs) bands (ev): -13.7666 -13.7666 -13.2648 -13.2646 -10.7134 -10.7132 -9.1444 -9.1440 -8.8104 -8.8076 -8.7471 -8.7435 -3.3247 -3.3238 -3.1688 -3.1677 -2.7204 -2.7197 -0.6326 -0.6309 -0.1608 -0.1601 0.0445 0.0447 0.3168 0.3178 1.2014 1.2021 1.5577 1.5579 1.9694 1.9702 2.6879 2.6885 3.4330 3.4358 3.5850 3.5875 3.8102 3.8103 3.8440 3.8441 4.3340 4.3342 4.5482 4.5483 5.2207 5.2207 10.6351 10.6352 11.7113 11.7146 12.1601 12.1616 12.5890 12.5904 13.7289 13.7337 k =-0.0833 0.0513 0.0000 ( 4333 PWs) bands (ev): -13.7615 -13.7615 -13.2650 -13.2648 -10.7284 -10.7282 -9.1417 -9.1412 -8.8157 -8.8129 -8.7411 -8.7375 -3.3389 -3.3379 -3.1449 -3.1436 -2.6939 -2.6931 -0.6430 -0.6410 -0.1420 -0.1412 0.0292 0.0294 0.2995 0.3006 1.1880 1.1887 1.5718 1.5721 1.9860 1.9869 2.6878 2.6886 3.4145 3.4176 3.5629 3.5656 3.8023 3.8023 3.8370 3.8371 4.3406 4.3407 4.5539 4.5541 5.2200 5.2200 10.6698 10.6699 11.6723 11.6761 12.2026 12.2046 12.5904 12.5920 13.6965 13.7014 k =-0.0972 0.0599 0.0000 ( 4329 PWs) bands (ev): -13.7556 -13.7555 -13.2653 -13.2651 -10.7459 -10.7456 -9.1387 -9.1381 -8.8206 -8.8178 -8.7353 -8.7316 -3.3540 -3.3528 -3.1168 -3.1154 -2.6646 -2.6635 -0.6546 -0.6523 -0.1204 -0.1196 0.0113 0.0115 0.2797 0.2809 1.1724 1.1732 1.5884 1.5886 2.0050 2.0060 2.6877 2.6886 3.3904 3.3939 3.5398 3.5426 3.7931 3.7932 3.8285 3.8286 4.3488 4.3488 4.5602 4.5604 5.2191 5.2191 10.7102 10.7103 11.6359 11.6400 12.2436 12.2460 12.5917 12.5934 13.6654 13.6703 k =-0.1111 0.0684 0.0000 ( 4333 PWs) bands (ev): -13.7487 -13.7487 -13.2656 -13.2654 -10.7655 -10.7652 -9.1353 -9.1347 -8.8252 -8.8224 -8.7298 -8.7260 -3.3694 -3.3681 -3.0847 -3.0830 -2.6327 -2.6315 -0.6672 -0.6647 -0.0961 -0.0953 -0.0091 -0.0090 0.2574 0.2587 1.1548 1.1557 1.6073 1.6075 2.0261 2.0273 2.6875 2.6885 3.3603 3.3638 3.5166 3.5193 3.7827 3.7829 3.8183 3.8184 4.3585 4.3585 4.5667 4.5670 5.2182 5.2182 10.7558 10.7559 11.6023 11.6068 12.2830 12.2857 12.5926 12.5945 13.6357 13.6406 k =-0.1250 0.0770 0.0000 ( 4327 PWs) bands (ev): -13.7411 -13.7410 -13.2659 -13.2657 -10.7871 -10.7869 -9.1317 -9.1310 -8.8294 -8.8267 -8.7245 -8.7207 -3.3848 -3.3834 -3.0486 -3.0467 -2.5988 -2.5973 -0.6807 -0.6779 -0.0693 -0.0685 -0.0319 -0.0318 0.2330 0.2343 1.1353 1.1362 1.6285 1.6287 2.0493 2.0505 2.6873 2.6884 3.3239 3.3272 3.4938 3.4961 3.7713 3.7717 3.8065 3.8066 4.3697 4.3698 4.5735 4.5739 5.2171 5.2171 10.8063 10.8065 11.5719 11.5768 12.3206 12.3236 12.5932 12.5952 13.6076 13.6125 k =-0.1389 0.0855 0.0000 ( 4327 PWs) bands (ev): -13.7326 -13.7326 -13.2663 -13.2661 -10.8107 -10.8104 -9.1280 -9.1272 -8.8332 -8.8305 -8.7196 -8.7157 -3.3998 -3.3983 -3.0086 -3.0066 -2.5631 -2.5615 -0.6949 -0.6920 -0.0572 -0.0570 -0.0402 -0.0393 0.2066 0.2080 1.1139 1.1149 1.6519 1.6522 2.0742 2.0755 2.6869 2.6881 3.2816 3.2847 3.4712 3.4730 3.7591 3.7596 3.7930 3.7931 4.3823 4.3825 4.5804 4.5809 5.2159 5.2159 10.8615 10.8616 11.5448 11.5500 12.3563 12.3596 12.5930 12.5951 13.5811 13.5860 k =-0.1528 0.0941 0.0000 ( 4323 PWs) bands (ev): -13.7234 -13.7234 -13.2667 -13.2665 -10.8358 -10.8356 -9.1241 -9.1233 -8.8366 -8.8339 -8.7151 -8.7111 -3.4144 -3.4128 -2.9650 -2.9628 -2.5260 -2.5242 -0.7098 -0.7066 -0.0847 -0.0842 -0.0088 -0.0079 0.1786 0.1800 1.0908 1.0917 1.6775 1.6777 2.1006 2.1020 2.6864 2.6877 3.2343 3.2371 3.4484 3.4496 3.7461 3.7468 3.7779 3.7780 4.3961 4.3964 4.5873 4.5880 5.2147 5.2147 10.9207 10.9209 11.5213 11.5267 12.3903 12.3937 12.5921 12.5942 13.5564 13.5612 k =-0.1667 0.1026 0.0000 ( 4327 PWs) bands (ev): -13.7135 -13.7135 -13.2672 -13.2669 -10.8625 -10.8622 -9.1201 -9.1193 -8.8395 -8.8368 -8.7110 -8.7070 -3.4282 -3.4265 -2.9178 -2.9154 -2.4877 -2.4856 -0.7252 -0.7218 -0.1141 -0.1134 0.0247 0.0256 0.1492 0.1504 1.0658 1.0668 1.7052 1.7054 2.1284 2.1298 2.6858 2.6872 3.1828 3.1853 3.4247 3.4254 3.7324 3.7333 3.7612 3.7613 4.4107 4.4111 4.5943 4.5951 5.2134 5.2134 10.9838 10.9840 11.5015 11.5072 12.4225 12.4259 12.5902 12.5923 13.5336 13.5383 k =-0.1806 0.1112 0.0000 ( 4326 PWs) bands (ev): -13.7030 -13.7029 -13.2676 -13.2673 -10.8904 -10.8901 -9.1162 -9.1153 -8.8419 -8.8393 -8.7074 -8.7032 -3.4411 -3.4394 -2.8672 -2.8646 -2.4484 -2.4461 -0.7411 -0.7375 -0.1455 -0.1444 0.0601 0.0611 0.1186 0.1197 1.0391 1.0400 1.7348 1.7349 2.1571 2.1587 2.6850 2.6865 3.1280 3.1303 3.3999 3.4000 3.7182 3.7192 3.7431 3.7433 4.4259 4.4264 4.6015 4.6024 5.2120 5.2120 11.0502 11.0504 11.4855 11.4915 12.4529 12.4563 12.5872 12.5893 13.5126 13.5173 k =-0.1944 0.1197 0.0000 ( 4326 PWs) bands (ev): -13.6919 -13.6918 -13.2681 -13.2678 -10.9193 -10.9190 -9.1123 -9.1114 -8.8438 -8.8412 -8.7042 -8.7000 -3.4531 -3.4513 -2.8134 -2.8106 -2.4082 -2.4058 -0.7573 -0.7536 -0.1785 -0.1771 0.0862 0.0879 0.0982 0.0984 1.0106 1.0116 1.7662 1.7664 2.1868 2.1884 2.6841 2.6857 3.0708 3.0729 3.3731 3.3735 3.7032 3.7043 3.7240 3.7243 4.4411 4.4417 4.6090 4.6101 5.2106 5.2107 11.1195 11.1198 11.4735 11.4797 12.4815 12.4849 12.5831 12.5851 13.4936 13.4982 k =-0.2083 0.1283 0.0000 ( 4314 PWs) bands (ev): -13.6802 -13.6801 -13.2686 -13.2682 -10.9490 -10.9488 -9.1084 -9.1076 -8.8453 -8.8426 -8.7015 -8.6973 -3.4640 -3.4622 -2.7565 -2.7535 -2.3675 -2.3649 -0.7739 -0.7699 -0.2129 -0.2111 0.0543 0.0553 0.1366 0.1374 0.9804 0.9813 1.7995 1.7995 2.2169 2.2186 2.6831 2.6848 3.0118 3.0137 3.3446 3.3453 3.6869 3.6880 3.7046 3.7050 4.4558 4.4566 4.6170 4.6183 5.2093 5.2093 11.1914 11.1917 11.4655 11.4718 12.5083 12.5114 12.5780 12.5797 13.4766 13.4811 k =-0.2222 0.1368 0.0000 ( 4318 PWs) bands (ev): -13.6681 -13.6680 -13.2691 -13.2687 -10.9794 -10.9791 -9.1047 -9.1038 -8.8462 -8.8435 -8.6994 -8.6951 -3.4739 -3.4721 -2.6968 -2.6936 -2.3263 -2.3235 -0.7908 -0.7866 -0.2486 -0.2463 0.0214 0.0221 0.1771 0.1779 0.9485 0.9494 1.8343 1.8343 2.2475 2.2493 2.6819 2.6837 2.9518 2.9536 3.3143 3.3154 3.6681 3.6691 3.6861 3.6869 4.4696 4.4706 4.6259 4.6273 5.2079 5.2079 11.2653 11.2657 11.4615 11.4680 12.5324 12.5347 12.5729 12.5740 13.4616 13.4660 k =-0.2361 0.1454 0.0000 ( 4328 PWs) bands (ev): -13.6555 -13.6555 -13.2696 -13.2692 -11.0101 -11.0099 -9.1011 -9.1003 -8.8466 -8.8439 -8.6978 -8.6935 -3.4828 -3.4809 -2.6344 -2.6310 -2.2848 -2.2817 -0.8079 -0.8035 -0.2852 -0.2825 -0.0120 -0.0116 0.2190 0.2198 0.9149 0.9158 1.8706 1.8707 2.2780 2.2799 2.6806 2.6825 2.8915 2.8933 3.2823 3.2838 3.6462 3.6470 3.6695 3.6706 4.4820 4.4830 4.6358 4.6373 5.2066 5.2066 11.3409 11.3413 11.4615 11.4681 12.5479 12.5485 12.5734 12.5751 13.4486 13.4529 k =-0.2500 0.1540 0.0000 ( 4312 PWs) bands (ev): -13.6427 -13.6426 -13.2701 -13.2697 -11.0411 -11.0408 -9.0977 -9.0968 -8.8464 -8.8438 -8.6967 -8.6924 -3.4905 -3.4887 -2.5696 -2.5660 -2.2431 -2.2398 -0.8253 -0.8207 -0.3224 -0.3193 -0.0457 -0.0455 0.2620 0.2628 0.8798 0.8807 1.9083 1.9085 2.3082 2.3102 2.6792 2.6812 2.8317 2.8333 3.2487 3.2505 3.6217 3.6224 3.6542 3.6555 4.4924 4.4935 4.6472 4.6487 5.2053 5.2053 11.4178 11.4182 11.4654 11.4721 12.5434 12.5456 12.5888 12.5919 13.4376 13.4418 k =-0.2639 0.1625 0.0000 ( 4312 PWs) bands (ev): -13.6296 -13.6296 -13.2706 -13.2703 -11.0720 -11.0717 -9.0944 -9.0936 -8.8458 -8.8431 -8.6962 -8.6919 -3.4972 -3.4954 -2.5025 -2.4988 -2.2013 -2.1979 -0.8429 -0.8382 -0.3601 -0.3565 -0.0795 -0.0794 0.3058 0.3066 0.8433 0.8442 1.9472 1.9475 2.3375 2.3397 2.6777 2.6798 2.7730 2.7746 3.2138 3.2158 3.5953 3.5960 3.6396 3.6410 4.5008 4.5018 4.6599 4.6614 5.2040 5.2041 11.4732 11.4799 11.4956 11.4960 12.5323 12.5345 12.6093 12.6123 13.4286 13.4326 k =-0.2778 0.1711 0.0000 ( 4312 PWs) bands (ev): -13.6164 -13.6164 -13.2711 -13.2708 -11.1026 -11.1024 -9.0914 -9.0906 -8.8447 -8.8420 -8.6963 -8.6919 -3.5028 -3.5011 -2.4335 -2.4295 -2.1598 -2.1562 -0.8609 -0.8559 -0.3980 -0.3938 -0.1134 -0.1130 0.3500 0.3507 0.8057 0.8066 1.9872 1.9875 2.3652 2.3676 2.6760 2.6783 2.7165 2.7181 3.1777 3.1800 3.5675 3.5682 3.6254 3.6269 4.5069 4.5079 4.6739 4.6754 5.2029 5.2029 11.4848 11.4915 11.5737 11.5742 12.5182 12.5204 12.6298 12.6326 13.4215 13.4254 k =-0.2917 0.1796 0.0000 ( 4318 PWs) bands (ev): -13.6032 -13.6031 -13.2716 -13.2713 -11.1328 -11.1326 -9.0885 -9.0878 -8.8430 -8.8403 -8.6969 -8.6925 -3.5075 -3.5058 -2.3627 -2.3586 -2.1185 -2.1147 -0.8791 -0.8739 -0.4356 -0.4311 -0.1471 -0.1464 0.3939 0.3946 0.7675 0.7684 2.0280 2.0285 2.3901 2.3927 2.6630 2.6647 2.6749 2.6771 3.1409 3.1434 3.5385 3.5392 3.6115 3.6129 4.5110 4.5120 4.6890 4.6904 5.2018 5.2018 11.4999 11.5067 11.6518 11.6523 12.5018 12.5040 12.6497 12.6522 13.4163 13.4200 k =-0.3056 0.1882 0.0000 ( 4312 PWs) bands (ev): -13.5900 -13.5900 -13.2721 -13.2717 -11.1623 -11.1621 -9.0859 -9.0852 -8.8409 -8.8382 -8.6980 -8.6937 -3.5113 -3.5096 -2.2905 -2.2862 -2.0777 -2.0737 -0.8978 -0.8923 -0.4729 -0.4679 -0.1803 -0.1794 0.4362 0.4369 0.7300 0.7309 2.0696 2.0703 2.4097 2.4124 2.6164 2.6181 2.6730 2.6754 3.1038 3.1065 3.5083 3.5091 3.5978 3.5992 4.5134 4.5142 4.7047 4.7061 5.2008 5.2008 11.5186 11.5253 11.7295 11.7300 12.4832 12.4854 12.6687 12.6709 13.4129 13.4165 k =-0.3194 0.1967 0.0000 ( 4312 PWs) bands (ev): -13.5770 -13.5770 -13.2725 -13.2722 -11.1909 -11.1907 -9.0835 -9.0828 -8.8384 -8.8356 -8.6996 -8.6954 -3.5142 -3.5126 -2.2172 -2.2126 -2.0375 -2.0335 -0.9169 -0.9112 -0.5095 -0.5041 -0.2129 -0.2117 0.4745 0.4752 0.6956 0.6965 2.1117 2.1125 2.4189 2.4216 2.5811 2.5824 2.6713 2.6740 3.0669 3.0699 3.4772 3.4781 3.5842 3.5857 4.5142 4.5150 4.7208 4.7220 5.1998 5.1999 11.5405 11.5472 11.8062 11.8068 12.4624 12.4647 12.6868 12.6888 13.4112 13.4146 k =-0.3333 0.2053 0.0000 ( 4310 PWs) bands (ev): -13.5643 -13.5643 -13.2730 -13.2727 -11.2184 -11.2183 -9.0813 -9.0806 -8.8354 -8.8326 -8.7018 -8.6976 -3.5163 -3.5148 -2.1429 -2.1381 -1.9983 -1.9941 -0.9367 -0.9308 -0.5451 -0.5394 -0.2446 -0.2432 0.5025 0.5032 0.6706 0.6715 2.1541 2.1551 2.4109 2.4130 2.5641 2.5647 2.6697 2.6726 3.0309 3.0340 3.4454 3.4463 3.5709 3.5723 4.5139 4.5145 4.7368 4.7379 5.1990 5.1990 11.5655 11.5722 11.8816 11.8821 12.4395 12.4418 12.7041 12.7058 13.4112 13.4145 k =-0.3472 0.2138 0.0000 ( 4304 PWs) bands (ev): -13.5520 -13.5520 -13.2734 -13.2731 -11.2447 -11.2445 -9.0792 -9.0786 -8.8320 -8.8292 -8.7044 -8.7002 -3.5178 -3.5163 -2.0681 -2.0632 -1.9601 -1.9558 -0.9573 -0.9512 -0.5795 -0.5735 -0.2753 -0.2736 0.5087 0.5094 0.6663 0.6671 2.1965 2.1977 2.3856 2.3869 2.5647 2.5651 2.6682 2.6713 2.9964 2.9998 3.4129 3.4139 3.5579 3.5592 4.5126 4.5132 4.7524 4.7534 5.1982 5.1983 11.5934 11.6000 11.9550 11.9556 12.4144 12.4168 12.7204 12.7218 13.4128 13.4159 k =-0.3611 0.2224 0.0000 ( 4312 PWs) bands (ev): -13.5403 -13.5402 -13.2738 -13.2735 -11.2695 -11.2693 -9.0774 -9.0769 -8.8283 -8.8255 -8.7074 -8.7033 -3.5186 -3.5173 -1.9932 -1.9880 -1.9233 -1.9190 -0.9789 -0.9726 -0.6124 -0.6062 -0.3046 -0.3028 0.4900 0.4908 0.6861 0.6869 2.2385 2.2400 2.3513 2.3521 2.5737 2.5749 2.6669 2.6701 2.9645 2.9679 3.3800 3.3811 3.5452 3.5465 4.5107 4.5112 4.7673 4.7683 5.1975 5.1976 11.6239 11.6304 12.0260 12.0266 12.3871 12.3897 12.7357 12.7370 13.4159 13.4188 k =-0.3750 0.2309 0.0000 ( 4318 PWs) bands (ev): -13.5291 -13.5291 -13.2742 -13.2739 -11.2925 -11.2924 -9.0758 -9.0753 -8.8243 -8.8215 -8.7108 -8.7068 -3.5190 -3.5178 -1.9184 -1.9130 -1.8881 -1.8839 -1.0018 -0.9952 -0.6435 -0.6372 -0.3323 -0.3303 0.4578 0.4586 0.7188 0.7195 2.2798 2.2816 2.3148 2.3152 2.5848 2.5865 2.6657 2.6692 2.9359 2.9395 3.3470 3.3481 3.5329 3.5341 4.5084 4.5088 4.7814 4.7823 5.1969 5.1969 11.6568 11.6632 12.0940 12.0946 12.3578 12.3604 12.7501 12.7511 13.4204 13.4230 k =-0.3889 0.2395 0.0000 ( 4314 PWs) bands (ev): -13.5188 -13.5187 -13.2745 -13.2743 -11.3138 -11.3136 -9.0744 -9.0739 -8.8200 -8.8172 -8.7144 -8.7106 -3.5190 -3.5179 -1.8549 -1.8508 -1.8443 -1.8386 -1.0263 -1.0195 -0.6726 -0.6663 -0.3581 -0.3561 0.4208 0.4216 0.7556 0.7562 2.2784 2.2789 2.3204 2.3222 2.5944 2.5964 2.6648 2.6685 2.9118 2.9154 3.3142 3.3154 3.5212 3.5223 4.5059 4.5062 4.7945 4.7952 5.1964 5.1964 11.6919 11.6982 12.1582 12.1588 12.3264 12.3292 12.7633 12.7641 13.4262 13.4285 k =-0.4028 0.2480 0.0000 ( 4308 PWs) bands (ev): -13.5093 -13.5093 -13.2748 -13.2746 -11.3329 -11.3328 -9.0731 -9.0727 -8.8156 -8.8128 -8.7183 -8.7146 -3.5188 -3.5178 -1.8240 -1.8201 -1.7711 -1.7652 -1.0527 -1.0457 -0.6992 -0.6932 -0.3818 -0.3798 0.3832 0.3840 0.7927 0.7932 2.2446 2.2450 2.3590 2.3611 2.6008 2.6028 2.6642 2.6681 2.8929 2.8964 3.2820 3.2833 3.5102 3.5112 4.5032 4.5035 4.8063 4.8069 5.1959 5.1960 11.7289 11.7350 12.2180 12.2186 12.2930 12.2960 12.7754 12.7760 13.4330 13.4350 k =-0.4167 0.2566 0.0000 ( 4308 PWs) bands (ev): -13.5008 -13.5008 -13.2751 -13.2749 -11.3499 -11.3499 -9.0721 -9.0717 -8.8110 -8.8083 -8.7224 -8.7188 -3.5183 -3.5174 -1.7959 -1.7922 -1.6995 -1.6933 -1.0814 -1.0742 -0.7232 -0.7175 -0.4030 -0.4011 0.3471 0.3479 0.8279 0.8284 2.2138 2.2140 2.3953 2.3977 2.6033 2.6052 2.6640 2.6680 2.8797 2.8829 3.2511 3.2523 3.5000 3.5009 4.5007 4.5009 4.8168 4.8173 5.1955 5.1956 11.7674 11.7734 12.2578 12.2606 12.2730 12.2731 12.7861 12.7867 13.4406 13.4424 k =-0.4306 0.2651 0.0000 ( 4312 PWs) bands (ev): -13.4935 -13.4934 -13.2753 -13.2751 -11.3646 -11.3645 -9.0712 -9.0709 -8.8065 -8.8039 -8.7264 -8.7231 -3.5177 -3.5170 -1.7709 -1.7676 -1.6298 -1.6234 -1.1127 -1.1054 -0.7442 -0.7391 -0.4215 -0.4198 0.3140 0.3147 0.8601 0.8605 2.1865 2.1867 2.4285 2.4311 2.6022 2.6039 2.6643 2.6684 2.8716 2.8744 3.2221 3.2233 3.4910 3.4917 4.4983 4.4985 4.8258 4.8263 5.1952 5.1952 11.8073 11.8130 12.2210 12.2244 12.3211 12.3215 12.7955 12.7959 13.4488 13.4503 k =-0.4444 0.2737 0.0000 ( 4316 PWs) bands (ev): -13.4873 -13.4873 -13.2755 -13.2754 -11.3768 -11.3767 -9.0705 -9.0702 -8.8021 -8.7997 -8.7302 -8.7273 -3.5171 -3.5165 -1.7495 -1.7467 -1.5625 -1.5559 -1.1471 -1.1397 -0.7619 -0.7575 -0.4370 -0.4355 0.2852 0.2858 0.8880 0.8884 2.1633 2.1635 2.4577 2.4604 2.5986 2.5999 2.6652 2.6691 2.8677 2.8700 3.1959 3.1970 3.4832 3.4838 4.4962 4.4964 4.8333 4.8337 5.1949 5.1950 11.8482 11.8538 12.1827 12.1863 12.3624 12.3628 12.8034 12.8037 13.4571 13.4582 k =-0.4583 0.2822 0.0000 ( 4314 PWs) bands (ev): -13.4824 -13.4824 -13.2756 -13.2755 -11.3863 -11.3863 -9.0699 -9.0697 -8.7981 -8.7960 -8.7336 -8.7312 -3.5165 -3.5161 -1.7322 -1.7300 -1.4982 -1.4914 -1.1849 -1.1775 -0.7759 -0.7724 -0.4493 -0.4481 0.2616 0.2621 0.9109 0.9112 2.1447 2.1448 2.4819 2.4844 2.5940 2.5949 2.6667 2.6701 2.8666 2.8684 3.1736 3.1746 3.4769 3.4774 4.4945 4.4946 4.8392 4.8395 5.1947 5.1948 11.8899 11.8952 12.1432 12.1471 12.3959 12.3962 12.8097 12.8099 13.4648 13.4657 k =-0.4722 0.2908 0.0000 ( 4316 PWs) bands (ev): -13.4788 -13.4788 -13.2757 -13.2756 -11.3933 -11.3932 -9.0695 -9.0693 -8.7947 -8.7932 -8.7363 -8.7345 -3.5161 -3.5158 -1.7194 -1.7179 -1.4374 -1.4304 -1.2261 -1.2187 -0.7859 -0.7835 -0.4581 -0.4573 0.2442 0.2445 0.9280 0.9281 2.1310 2.1311 2.5001 2.5020 2.5897 2.5902 2.6684 2.6711 2.8670 2.8681 3.1565 3.1572 3.4722 3.4726 4.4932 4.4933 4.8435 4.8437 5.1946 5.1946 11.9319 11.9369 12.1028 12.1069 12.4205 12.4207 12.8142 12.8143 13.4713 13.4719 k =-0.4861 0.2994 0.0000 ( 4320 PWs) bands (ev): -13.4767 -13.4767 -13.2758 -13.2757 -11.3974 -11.3974 -9.0692 -9.0692 -8.7923 -8.7914 -8.7379 -8.7369 -3.5158 -3.5156 -1.7114 -1.7106 -1.3812 -1.3745 -1.2699 -1.2629 -0.7918 -0.7905 -0.4634 -0.4630 0.2335 0.2336 0.9385 0.9386 2.1226 2.1227 2.5115 2.5127 2.5867 2.5870 2.6701 2.6716 2.8677 2.8683 3.1457 3.1461 3.4694 3.4696 4.4925 4.4925 4.8461 4.8462 5.1945 5.1945 11.9735 11.9781 12.0624 12.0665 12.4356 12.4357 12.8170 12.8170 13.4757 13.4760 k =-0.5000 0.3079 0.0000 ( 4318 PWs) bands (ev): -13.4760 -13.4760 -13.2758 -13.2758 -11.3988 -11.3988 -9.0691 -9.0691 -8.7911 -8.7911 -8.7381 -8.7381 -3.5156 -3.5156 -1.7084 -1.7084 -1.3405 -1.3405 -1.2997 -1.2997 -0.7933 -0.7933 -0.4650 -0.4650 0.2299 0.2299 0.9420 0.9420 2.1199 2.1199 2.5158 2.5158 2.5858 2.5858 2.6713 2.6713 2.8682 2.8682 3.1422 3.1422 3.4685 3.4685 4.4922 4.4922 4.8470 4.8470 5.1945 5.1945 12.0066 12.0066 12.0339 12.0339 12.4408 12.4408 12.8179 12.8179 13.4773 13.4773 k =-0.5000 0.3079 0.0000 ( 4318 PWs) bands (ev): -13.4760 -13.4760 -13.2758 -13.2758 -11.3988 -11.3988 -9.0691 -9.0691 -8.7911 -8.7911 -8.7381 -8.7381 -3.5156 -3.5156 -1.7084 -1.7084 -1.3405 -1.3405 -1.2997 -1.2997 -0.7933 -0.7933 -0.4650 -0.4650 0.2299 0.2299 0.9420 0.9420 2.1199 2.1199 2.5158 2.5158 2.5858 2.5858 2.6713 2.6713 2.8682 2.8682 3.1422 3.1422 3.4685 3.4685 4.4922 4.4922 4.8470 4.8470 5.1945 5.1945 12.0066 12.0066 12.0339 12.0339 12.4408 12.4408 12.8179 12.8179 13.4773 13.4773 k =-0.4914 0.3219-0.0000 ( 4322 PWs) bands (ev): -13.4761 -13.4761 -13.2758 -13.2758 -11.3979 -11.3979 -9.0747 -9.0736 -8.7907 -8.7904 -8.7352 -8.7337 -3.5153 -3.5153 -1.7097 -1.7094 -1.3360 -1.3355 -1.3003 -1.3003 -0.7946 -0.7943 -0.4716 -0.4698 0.2339 0.2360 0.9420 0.9423 2.1193 2.1199 2.5064 2.5144 2.5884 2.5959 2.6666 2.6695 2.8671 2.8703 3.1433 3.1438 3.4683 3.4686 4.4931 4.4935 4.8453 4.8457 5.1930 5.1934 12.0046 12.0052 12.0348 12.0350 12.4456 12.4460 12.8117 12.8149 13.4834 13.4863 k =-0.4828 0.3359-0.0000 ( 4310 PWs) bands (ev): -13.4764 -13.4764 -13.2761 -13.2761 -11.3951 -11.3951 -9.0897 -9.0877 -8.7893 -8.7888 -8.7256 -8.7228 -3.5145 -3.5144 -1.7131 -1.7124 -1.3226 -1.3216 -1.3020 -1.3019 -0.7981 -0.7976 -0.4888 -0.4854 0.2476 0.2516 0.9422 0.9427 2.1183 2.1196 2.4919 2.5037 2.6024 2.6132 2.6558 2.6614 2.8670 2.8730 3.1471 3.1482 3.4678 3.4684 4.4962 4.4970 4.8407 4.8415 5.1888 5.1897 11.9997 12.0009 12.0378 12.0381 12.4600 12.4607 12.7972 12.8035 13.5039 13.5095 k =-0.4741 0.3499-0.0000 ( 4312 PWs) bands (ev): -13.4769 -13.4769 -13.2764 -13.2764 -11.3904 -11.3904 -9.1125 -9.1098 -8.7869 -8.7861 -8.7108 -8.7070 -3.5132 -3.5129 -1.7176 -1.7167 -1.3077 -1.3069 -1.2979 -1.2972 -0.8039 -0.8030 -0.5153 -0.5106 0.2697 0.2754 0.9424 0.9432 2.1170 2.1188 2.4761 2.4893 2.6219 2.6336 2.6396 2.6472 2.8674 2.8757 3.1537 3.1554 3.4671 3.4680 4.5014 4.5027 4.8331 4.8342 5.1822 5.1835 11.9929 11.9945 12.0427 12.0432 12.4824 12.4832 12.7772 12.7860 13.5369 13.5445 k =-0.4655 0.3639-0.0000 ( 4318 PWs) bands (ev): -13.4777 -13.4777 -13.2769 -13.2769 -11.3839 -11.3838 -9.1411 -9.1380 -8.7835 -8.7824 -8.6927 -8.6881 -3.5113 -3.5110 -1.7225 -1.7212 -1.3106 -1.3104 -1.2702 -1.2685 -0.8117 -0.8106 -0.5491 -0.5434 0.2985 0.3055 0.9427 0.9437 2.1154 2.1176 2.4607 2.4743 2.6181 2.6270 2.6445 2.6558 2.8679 2.8780 3.1629 3.1653 3.4663 3.4674 4.5087 4.5104 4.8226 4.8241 5.1731 5.1749 11.9854 11.9874 12.0496 12.0502 12.5100 12.5106 12.7554 12.7662 13.5797 13.5889 k =-0.4569 0.3779-0.0000 ( 4314 PWs) bands (ev): -13.4787 -13.4787 -13.2775 -13.2775 -11.3755 -11.3754 -9.1742 -9.1708 -8.7791 -8.7777 -8.6728 -8.6675 -3.5088 -3.5085 -1.7267 -1.7251 -1.3161 -1.3159 -1.2351 -1.2328 -0.8216 -0.8201 -0.5883 -0.5820 0.3323 0.3404 0.9429 0.9442 2.1136 2.1162 2.4461 2.4596 2.5923 2.6026 2.6678 2.6789 2.8679 2.8795 3.1748 3.1779 3.4653 3.4668 4.5180 4.5202 4.8092 4.8111 5.1617 5.1639 11.9787 11.9808 12.0584 12.0591 12.5383 12.5387 12.7370 12.7495 13.6298 13.6401 k =-0.4483 0.3919-0.0000 ( 4308 PWs) bands (ev): -13.4799 -13.4799 -13.2783 -13.2783 -11.3652 -11.3651 -9.2105 -9.2070 -8.7738 -8.7721 -8.6522 -8.6464 -3.5060 -3.5055 -1.7296 -1.7277 -1.3230 -1.3228 -1.1953 -1.1924 -0.8333 -0.8316 -0.6311 -0.6244 0.3696 0.3785 0.9430 0.9444 2.1118 2.1147 2.4328 2.4459 2.5625 2.5736 2.6919 2.7024 2.8671 2.8796 3.1892 3.1932 3.4643 3.4662 4.5294 4.5319 4.7931 4.7952 5.1483 5.1508 11.9736 11.9758 12.0691 12.0698 12.5591 12.5597 12.7310 12.7440 13.6400 13.6403 k =-0.4396 0.4059-0.0000 ( 4316 PWs) bands (ev): -13.4814 -13.4814 -13.2791 -13.2791 -11.3531 -11.3530 -9.2493 -9.2457 -8.7675 -8.7655 -8.6317 -8.6256 -3.5027 -3.5022 -1.7305 -1.7283 -1.3312 -1.3310 -1.1520 -1.1484 -0.8468 -0.8447 -0.6756 -0.6688 0.4092 0.4187 0.9427 0.9443 2.1101 2.1132 2.4208 2.4334 2.5290 2.5405 2.7165 2.7261 2.8650 2.8784 3.2061 3.2110 3.4633 3.4657 4.5425 4.5455 4.7742 4.7766 5.1330 5.1358 11.9710 11.9731 12.0814 12.0823 12.5632 12.5655 12.7467 12.7585 13.5852 13.5855 k =-0.4310 0.4199-0.0000 ( 4324 PWs) bands (ev): -13.4832 -13.4831 -13.2800 -13.2800 -11.3391 -11.3390 -9.2899 -9.2863 -8.7602 -8.7580 -8.6119 -8.6055 -3.4990 -3.4984 -1.7292 -1.7267 -1.3406 -1.3404 -1.1074 -1.1029 -0.8618 -0.8594 -0.7195 -0.7129 0.4502 0.4602 0.9418 0.9437 2.1087 2.1118 2.4103 2.4221 2.4920 2.5039 2.7412 2.7497 2.8616 2.8755 3.2252 3.2312 3.4625 3.4655 4.5575 4.5608 4.7528 4.7554 5.1160 5.1191 11.9714 11.9734 12.0954 12.0964 12.5513 12.5557 12.7836 12.7936 13.5289 13.5293 k =-0.4224 0.4339-0.0000 ( 4328 PWs) bands (ev): -13.4852 -13.4852 -13.2809 -13.2809 -11.3233 -11.3232 -9.3319 -9.3284 -8.7521 -8.7496 -8.5932 -8.5865 -3.4951 -3.4944 -1.7254 -1.7226 -1.3513 -1.3510 -1.0649 -1.0591 -0.8781 -0.8754 -0.7589 -0.7531 0.4918 0.5022 0.9403 0.9424 2.1079 2.1110 2.4012 2.4121 2.4517 2.4638 2.7658 2.7732 2.8566 2.8709 3.2464 3.2537 3.4622 3.4658 4.5741 4.5778 4.7288 4.7316 5.0976 5.1009 11.9753 11.9770 12.1109 12.1120 12.5313 12.5371 12.8340 12.8426 13.4719 13.4723 k =-0.4138 0.4479-0.0000 ( 4326 PWs) bands (ev): -13.4876 -13.4875 -13.2819 -13.2819 -11.3057 -11.3056 -9.3749 -9.3715 -8.7431 -8.7403 -8.5758 -8.5688 -3.4909 -3.4902 -1.7191 -1.7161 -1.3631 -1.3628 -1.0316 -1.0240 -0.8956 -0.8926 -0.7864 -0.7820 0.5336 0.5443 0.9379 0.9401 2.1078 2.1107 2.3934 2.4035 2.4086 2.4205 2.7900 2.7964 2.8501 2.8647 3.2692 3.2780 3.4625 3.4669 4.5922 4.5962 4.7025 4.7054 5.0779 5.0814 11.9827 11.9840 12.1276 12.1289 12.5090 12.5155 12.8924 12.9001 13.4147 13.4150 k =-0.4052 0.4619-0.0000 ( 4322 PWs) bands (ev): -13.4902 -13.4902 -13.2830 -13.2829 -11.2863 -11.2861 -9.4187 -9.4154 -8.7332 -8.7302 -8.5599 -8.5528 -3.4865 -3.4858 -1.7104 -1.7072 -1.3761 -1.3758 -1.0195 -1.0099 -0.9139 -0.9106 -0.7898 -0.7869 0.5751 0.5860 0.9344 0.9368 2.1086 2.1113 2.3619 2.3742 2.3878 2.3964 2.8138 2.8190 2.8421 2.8568 3.2932 3.3038 3.4639 3.4694 4.6116 4.6160 4.6740 4.6769 5.0573 5.0609 11.9938 11.9947 12.1455 12.1469 12.4869 12.4938 12.9561 12.9631 13.3574 13.3577 k =-0.3965 0.4759-0.0000 ( 4310 PWs) bands (ev): -13.4932 -13.4932 -13.2840 -13.2839 -11.2651 -11.2649 -9.4630 -9.4598 -8.7226 -8.7193 -8.5457 -8.5384 -3.4821 -3.4813 -1.6997 -1.6963 -1.3904 -1.3900 -1.0343 -1.0236 -0.9328 -0.9293 -0.7631 -0.7607 0.6160 0.6272 0.9297 0.9322 2.1106 2.1129 2.3130 2.3251 2.3830 2.3905 2.8313 2.8382 2.8410 2.8474 3.3176 3.3302 3.4671 3.4739 4.6321 4.6370 4.6435 4.6466 5.0360 5.0396 12.0084 12.0087 12.1643 12.1659 12.4668 12.4736 13.0237 13.0302 13.3004 13.3007 k =-0.3879 0.4899-0.0000 ( 4306 PWs) bands (ev): -13.4966 -13.4965 -13.2849 -13.2849 -11.2420 -11.2418 -9.5077 -9.5046 -8.7112 -8.7077 -8.5332 -8.5258 -3.4777 -3.4769 -1.6875 -1.6839 -1.4058 -1.4053 -1.0665 -1.0556 -0.9522 -0.9484 -0.7150 -0.7124 0.6562 0.6676 0.9235 0.9261 2.1138 2.1159 2.2614 2.2734 2.3797 2.3860 2.8209 2.8361 2.8600 2.8625 3.3413 3.3559 3.4733 3.4816 4.6111 4.6138 4.6543 4.6591 5.0141 5.0178 12.0259 12.0262 12.1838 12.1855 12.4495 12.4560 13.0943 13.1005 13.2439 13.2441 k =-0.3793 0.5039-0.0000 ( 4308 PWs) bands (ev): -13.5003 -13.5002 -13.2859 -13.2859 -11.2172 -11.2170 -9.5525 -9.5495 -8.6991 -8.6953 -8.5225 -8.5149 -3.4735 -3.4725 -1.6745 -1.6708 -1.4224 -1.4218 -1.1055 -1.0946 -0.9717 -0.9676 -0.6555 -0.6525 0.6955 0.7070 0.9157 0.9184 2.1187 2.1203 2.2074 2.2192 2.3777 2.3828 2.8083 2.8235 2.8817 2.8831 3.3627 3.3791 3.4845 3.4938 4.5771 4.5797 4.6769 4.6820 4.9919 4.9955 12.0457 12.0469 12.2036 12.2054 12.4360 12.4419 13.1675 13.1733 13.1881 13.1882 k =-0.3707 0.5179-0.0000 ( 4312 PWs) bands (ev): -13.5044 -13.5043 -13.2867 -13.2867 -11.1907 -11.1904 -9.5973 -9.5945 -8.6864 -8.6823 -8.5135 -8.5059 -3.4694 -3.4685 -1.6620 -1.6582 -1.4401 -1.4395 -1.1453 -1.1345 -0.9912 -0.9868 -0.5897 -0.5862 0.7338 0.7454 0.9061 0.9089 2.1251 2.1264 2.1511 2.1628 2.3771 2.3810 2.7943 2.8095 2.9026 2.9027 3.3806 3.3976 3.5025 3.5119 4.5416 4.5441 4.7003 4.7057 4.9694 4.9730 12.0674 12.0696 12.2234 12.2254 12.4272 12.4322 13.1329 13.1330 13.2431 13.2487 k =-0.3620 0.5319-0.0000 ( 4312 PWs) bands (ev): -13.5089 -13.5088 -13.2875 -13.2875 -11.1624 -11.1621 -9.6420 -9.6393 -8.6731 -8.6688 -8.5063 -8.4987 -3.4657 -3.4647 -1.6516 -1.6477 -1.4591 -1.4584 -1.1820 -1.1713 -1.0103 -1.0056 -0.5199 -0.5159 0.7710 0.7827 0.8946 0.8975 2.0927 2.1039 2.1339 2.1344 2.3778 2.3805 2.7789 2.7942 2.9214 2.9224 3.3945 3.4110 3.5279 3.5360 4.5049 4.5073 4.7243 4.7300 4.9470 4.9505 12.0898 12.0932 12.2428 12.2451 12.4241 12.4280 13.0789 13.0790 13.3204 13.3259 k =-0.3534 0.5459-0.0000 ( 4311 PWs) bands (ev): -13.5137 -13.5136 -13.2882 -13.2882 -11.1325 -11.1321 -9.6865 -9.6839 -8.6592 -8.6547 -8.5009 -8.4932 -3.4625 -3.4614 -1.6458 -1.6418 -1.4793 -1.4786 -1.2123 -1.2017 -1.0287 -1.0238 -0.4474 -0.4429 0.8071 0.8189 0.8811 0.8840 2.0325 2.0436 2.1442 2.1445 2.3798 2.3812 2.7623 2.7775 2.9390 2.9411 3.4052 3.4205 3.5592 3.5655 4.4673 4.4694 4.7487 4.7546 4.9247 4.9280 12.1117 12.1164 12.2614 12.2639 12.4282 12.4307 13.0261 13.0264 13.3995 13.4049 k =-0.3448 0.5599-0.0000 ( 4313 PWs) bands (ev): -13.5190 -13.5189 -13.2888 -13.2887 -11.1008 -11.1004 -9.7306 -9.7281 -8.6449 -8.6401 -8.4971 -8.4894 -3.4597 -3.4586 -1.6471 -1.6430 -1.5008 -1.4999 -1.2331 -1.2226 -1.0462 -1.0410 -0.3728 -0.3679 0.8421 0.8537 0.8659 0.8685 1.9706 1.9815 2.1566 2.1568 2.3830 2.3832 2.7444 2.7596 2.9554 2.9586 3.4139 3.4281 3.5945 3.5991 4.4288 4.4308 4.7734 4.7794 4.9026 4.9058 12.1315 12.1377 12.2787 12.2814 12.4406 12.4416 12.9749 12.9754 13.4800 13.4853 k =-0.3448 0.5599-0.0000 ( 4313 PWs) bands (ev): -13.5190 -13.5189 -13.2888 -13.2887 -11.1008 -11.1004 -9.7306 -9.7281 -8.6449 -8.6401 -8.4971 -8.4894 -3.4597 -3.4586 -1.6471 -1.6430 -1.5008 -1.4999 -1.2331 -1.2226 -1.0462 -1.0410 -0.3728 -0.3679 0.8421 0.8537 0.8659 0.8685 1.9706 1.9815 2.1566 2.1568 2.3830 2.3832 2.7444 2.7596 2.9554 2.9586 3.4139 3.4281 3.5945 3.5991 4.4288 4.4308 4.7734 4.7794 4.9026 4.9058 12.1315 12.1377 12.2787 12.2814 12.4406 12.4416 12.9749 12.9754 13.4800 13.4853 k =-0.3448 0.5599 0.0163 ( 4317 PWs) bands (ev): -13.5188 -13.5187 -13.2888 -13.2888 -11.0998 -11.0995 -9.7301 -9.7276 -8.6472 -8.6424 -8.4981 -8.4903 -3.4575 -3.4564 -1.6551 -1.6509 -1.5013 -1.5005 -1.2226 -1.2122 -1.0445 -1.0392 -0.3766 -0.3718 0.8441 0.8556 0.8665 0.8691 1.9686 1.9794 2.1551 2.1553 2.3844 2.3846 2.7440 2.7590 2.9567 2.9599 3.4125 3.4265 3.5967 3.6011 4.4286 4.4306 4.7733 4.7793 4.9019 4.9052 12.1260 12.1321 12.2761 12.2788 12.4436 12.4447 12.9711 12.9716 13.4865 13.4918 k =-0.3448 0.5599 0.0327 ( 4320 PWs) bands (ev): -13.5183 -13.5182 -13.2891 -13.2891 -11.0969 -11.0966 -9.7285 -9.7260 -8.6541 -8.6493 -8.5008 -8.4930 -3.4509 -3.4498 -1.6768 -1.6725 -1.5031 -1.5023 -1.1935 -1.1832 -1.0392 -1.0340 -0.3879 -0.3833 0.8501 0.8611 0.8686 0.8710 1.9624 1.9730 2.1505 2.1507 2.3885 2.3886 2.7425 2.7573 2.9606 2.9638 3.4084 3.4220 3.6031 3.6071 4.4282 4.4301 4.7729 4.7789 4.9000 4.9033 12.1103 12.1164 12.2685 12.2711 12.4519 12.4532 12.9597 12.9601 13.5058 13.5109 k =-0.3448 0.5599 0.0490 ( 4314 PWs) bands (ev): -13.5175 -13.5174 -13.2896 -13.2896 -11.0921 -11.0918 -9.7259 -9.7234 -8.6655 -8.6608 -8.5053 -8.4976 -3.4399 -3.4389 -1.7077 -1.7032 -1.5061 -1.5053 -1.1503 -1.1402 -1.0304 -1.0253 -0.4063 -0.4019 0.8595 0.8686 0.8734 0.8741 1.9523 1.9625 2.1433 2.1434 2.3950 2.3951 2.7399 2.7542 2.9670 2.9703 3.4022 3.4152 3.6130 3.6166 4.4274 4.4293 4.7723 4.7783 4.8968 4.9001 12.0867 12.0927 12.2562 12.2587 12.4639 12.4655 12.9401 12.9404 13.5369 13.5419 k =-0.3448 0.5599 0.0653 ( 4315 PWs) bands (ev): -13.5163 -13.5162 -13.2902 -13.2902 -11.0854 -11.0851 -9.7222 -9.7198 -8.6814 -8.6767 -8.5116 -8.5040 -3.4248 -3.4238 -1.7436 -1.7390 -1.5103 -1.5095 -1.0974 -1.0874 -1.0180 -1.0130 -0.4310 -0.4270 0.8716 0.8744 0.8789 0.8839 1.9383 1.9481 2.1339 2.1340 2.4035 2.4035 2.7361 2.7499 2.9759 2.9792 3.3944 3.4068 3.6257 3.6288 4.4262 4.4282 4.7714 4.7773 4.8924 4.8956 12.0577 12.0637 12.2396 12.2419 12.4782 12.4802 12.9121 12.9122 13.5592 13.5610 k =-0.3448 0.5599 0.0817 ( 4321 PWs) bands (ev): -13.5148 -13.5147 -13.2910 -13.2910 -11.0768 -11.0764 -9.7175 -9.7150 -8.7015 -8.6969 -8.5197 -8.5122 -3.4055 -3.4046 -1.7816 -1.7770 -1.5157 -1.5150 -1.0382 -1.0281 -1.0020 -0.9971 -0.4613 -0.4576 0.8801 0.8823 0.8885 0.8980 1.9207 1.9299 2.1228 2.1228 2.4135 2.4137 2.7309 2.7439 2.9871 2.9905 3.3856 3.3974 3.6406 3.6431 4.4248 4.4268 4.7701 4.7759 4.8866 4.8898 12.0257 12.0317 12.2192 12.2214 12.4938 12.4961 12.8757 12.8757 13.5289 13.5307 k =-0.3448 0.5599 0.0980 ( 4325 PWs) bands (ev): -13.5130 -13.5129 -13.2920 -13.2920 -11.0662 -11.0659 -9.7117 -9.7093 -8.7258 -8.7213 -8.5295 -8.5221 -3.3825 -3.3817 -1.8197 -1.8152 -1.5225 -1.5217 -0.9838 -0.9777 -0.9733 -0.9646 -0.4959 -0.4926 0.8868 0.8897 0.9042 0.9137 1.8996 1.9081 2.1105 2.1106 2.4249 2.4252 2.7242 2.7364 3.0006 3.0039 3.3763 3.3876 3.6570 3.6592 4.4231 4.4250 4.7683 4.7741 4.8796 4.8827 11.9924 11.9986 12.1958 12.1978 12.5100 12.5127 12.8317 12.8318 13.5017 13.5036 k =-0.3448 0.5599 0.1143 ( 4325 PWs) bands (ev): -13.5108 -13.5107 -13.2932 -13.2932 -11.0538 -11.0535 -9.7048 -9.7025 -8.7540 -8.7496 -8.5410 -8.5337 -3.3558 -3.3551 -1.8569 -1.8525 -1.5306 -1.5298 -0.9598 -0.9546 -0.9087 -0.8992 -0.5331 -0.5302 0.8947 0.8978 0.9213 0.9302 1.8753 1.8831 2.0973 2.0975 2.4371 2.4376 2.7156 2.7269 3.0160 3.0194 3.3668 3.3776 3.6746 3.6766 4.4211 4.4230 4.7661 4.7718 4.8713 4.8744 11.9595 11.9658 12.1697 12.1716 12.5268 12.5297 12.7817 12.7819 13.4776 13.4793 k =-0.3448 0.5599 0.1307 ( 4325 PWs) bands (ev): -13.5084 -13.5083 -13.2945 -13.2945 -11.0394 -11.0392 -9.6970 -9.6947 -8.7859 -8.7816 -8.5541 -8.5470 -3.3257 -3.3251 -1.8925 -1.8882 -1.5401 -1.5393 -0.9329 -0.9279 -0.8447 -0.8354 -0.5699 -0.5671 0.9037 0.9069 0.9387 0.9470 1.8481 1.8551 2.0838 2.0841 2.4501 2.4508 2.7051 2.7154 3.0333 3.0368 3.3574 3.3678 3.6931 3.6949 4.4188 4.4207 4.7632 4.7688 4.8617 4.8648 11.9281 11.9346 12.1417 12.1433 12.5438 12.5471 12.7276 12.7277 13.4555 13.4570 k =-0.3448 0.5599 0.1470 ( 4323 PWs) bands (ev): -13.5056 -13.5055 -13.2961 -13.2961 -11.0232 -11.0230 -9.6881 -9.6858 -8.8213 -8.8172 -8.5688 -8.5618 -3.2926 -3.2921 -1.9260 -1.9218 -1.5509 -1.5501 -0.9025 -0.8976 -0.7905 -0.7822 -0.5976 -0.5942 0.9139 0.9173 0.9556 0.9632 1.8182 1.8245 2.0702 2.0707 2.4636 2.4644 2.6924 2.7016 3.0522 3.0558 3.3483 3.3584 3.7123 3.7140 4.4163 4.4182 4.7596 4.7652 4.8509 4.8539 11.8991 11.9058 12.1120 12.1134 12.5613 12.5648 12.6713 12.6714 13.4342 13.4356 k =-0.3448 0.5599 0.1633 ( 4327 PWs) bands (ev): -13.5026 -13.5025 -13.2978 -13.2978 -11.0051 -11.0049 -9.6781 -9.6760 -8.8600 -8.8560 -8.5851 -8.5782 -3.2567 -3.2563 -1.9571 -1.9531 -1.5631 -1.5624 -0.8684 -0.8637 -0.7682 -0.7626 -0.5941 -0.5884 0.9254 0.9288 0.9717 0.9786 1.7859 1.7914 2.0568 2.0575 2.4773 2.4783 2.6773 2.6854 3.0725 3.0762 3.3397 3.3495 3.7319 3.7336 4.4136 4.4155 4.7553 4.7607 4.8389 4.8418 11.8733 11.8802 12.0810 12.0823 12.5792 12.5829 12.6147 12.6148 13.4127 13.4138 k =-0.3448 0.5599 0.1797 ( 4335 PWs) bands (ev): -13.4993 -13.4992 -13.2997 -13.2997 -10.9852 -10.9850 -9.6671 -9.6651 -8.9017 -8.8978 -8.6028 -8.5961 -3.2183 -3.2181 -1.9855 -1.9817 -1.5768 -1.5761 -0.8308 -0.8262 -0.7889 -0.7857 -0.5483 -0.5405 0.9380 0.9416 0.9864 0.9926 1.7515 1.7561 2.0440 2.0449 2.4910 2.4922 2.6596 2.6666 3.0939 3.0977 3.3317 3.3413 3.7519 3.7535 4.4108 4.4126 4.7500 4.7552 4.8257 4.8285 11.8513 11.8584 12.0491 12.0502 12.5593 12.5595 12.5976 12.6018 13.3898 13.3907 k =-0.3448 0.5599 0.1960 ( 4341 PWs) bands (ev): -13.4957 -13.4956 -13.3018 -13.3018 -10.9634 -10.9632 -9.6551 -9.6531 -8.9462 -8.9424 -8.6219 -8.6154 -3.1777 -3.1776 -2.0112 -2.0075 -1.5919 -1.5912 -0.8313 -0.8291 -0.7894 -0.7852 -0.4815 -0.4729 0.9518 0.9555 0.9995 1.0051 1.7151 1.7190 2.0320 2.0332 2.5045 2.5058 2.6393 2.6450 3.1161 3.1201 3.3245 3.3339 3.7721 3.7738 4.4078 4.4096 4.7436 4.7488 4.8113 4.8140 11.8335 11.8408 12.0166 12.0174 12.5069 12.5071 12.6163 12.6208 13.3649 13.3657 k =-0.3448 0.5599 0.2123 ( 4338 PWs) bands (ev): -13.4919 -13.4918 -13.3041 -13.3041 -10.9397 -10.9396 -9.6421 -9.6402 -8.9931 -8.9894 -8.6423 -8.6360 -3.1353 -3.1352 -2.0339 -2.0305 -1.6084 -1.6077 -0.8814 -0.8798 -0.7448 -0.7407 -0.4073 -0.3984 0.9667 0.9706 1.0108 1.0157 1.6771 1.6803 2.0212 2.0225 2.5174 2.5189 2.6161 2.6207 3.1388 3.1430 3.3183 3.3276 3.7925 3.7942 4.4048 4.4066 4.7362 4.7412 4.7960 4.7985 11.8203 11.8278 11.9837 11.9843 12.4584 12.4587 12.6354 12.6402 13.3376 13.3382 k =-0.3448 0.5599 0.2287 ( 4336 PWs) bands (ev): -13.4878 -13.4877 -13.3065 -13.3065 -10.9143 -10.9142 -9.6281 -9.6263 -9.0422 -9.0387 -8.6639 -8.6579 -3.0913 -3.0912 -2.0537 -2.0505 -1.6263 -1.6257 -0.9350 -0.9339 -0.6967 -0.6929 -0.3301 -0.3210 0.9827 0.9867 1.0201 1.0244 1.6377 1.6402 2.0117 2.0133 2.5295 2.5312 2.5900 2.5935 3.1615 3.1659 3.3134 3.3226 3.8130 3.8148 4.4018 4.4036 4.7275 4.7324 4.7796 4.7821 11.8119 11.8196 11.9509 11.9512 12.4147 12.4150 12.6547 12.6598 13.3075 13.3080 k =-0.3448 0.5599 0.2450 ( 4333 PWs) bands (ev): -13.4835 -13.4834 -13.3092 -13.3092 -10.8870 -10.8870 -9.6131 -9.6114 -9.0934 -9.0900 -8.6868 -8.6810 -3.0460 -3.0458 -2.0705 -2.0675 -1.6457 -1.6450 -0.9905 -0.9897 -0.6454 -0.6418 -0.2518 -0.2425 0.9998 1.0039 1.0273 1.0310 1.5972 1.5990 2.0039 2.0057 2.5402 2.5422 2.5611 2.5634 3.1836 3.1883 3.3102 3.3192 3.8336 3.8355 4.3989 4.4007 4.7175 4.7222 4.7624 4.7647 11.8085 11.8163 11.9187 11.9187 12.3763 12.3766 12.6741 12.6795 13.2745 13.2749 k =-0.3448 0.5599 0.2613 ( 4335 PWs) bands (ev): -13.4790 -13.4789 -13.3120 -13.3120 -10.8580 -10.8580 -9.5972 -9.5955 -9.1462 -9.1430 -8.7106 -8.7051 -2.9997 -2.9994 -2.0842 -2.0815 -1.6664 -1.6658 -1.0468 -1.0463 -0.5909 -0.5876 -0.1731 -0.1638 1.0177 1.0218 1.0327 1.0355 1.5558 1.5570 1.9979 2.0000 2.5285 2.5297 2.5502 2.5523 3.2044 3.2093 3.3092 3.3180 3.8543 3.8564 4.3962 4.3980 4.7062 4.7107 4.7445 4.7466 11.8101 11.8180 11.8873 11.8877 12.3433 12.3438 12.6930 12.6988 13.2386 13.2390 k =-0.3448 0.5599 0.2776 ( 4337 PWs) bands (ev): -13.4743 -13.4742 -13.3151 -13.3150 -10.8272 -10.8272 -9.5802 -9.5787 -9.2006 -9.1975 -8.7355 -8.7302 -2.9525 -2.9521 -2.0949 -2.0924 -1.6886 -1.6880 -1.1034 -1.1032 -0.5334 -0.5304 -0.0949 -0.0856 1.0346 1.0351 1.0392 1.0417 1.5138 1.5145 1.9941 1.9965 2.4936 2.4936 2.5576 2.5599 3.2231 3.2279 3.3113 3.3195 3.8753 3.8775 4.3937 4.3955 4.6934 4.6977 4.7259 4.7279 11.8167 11.8247 11.8578 11.8585 12.3159 12.3165 12.7113 12.7174 13.1999 13.2002 k =-0.3448 0.5599 0.2940 ( 4353 PWs) bands (ev): -13.4694 -13.4693 -13.3183 -13.3183 -10.7948 -10.7947 -9.5623 -9.5609 -9.2563 -9.2533 -8.7613 -8.7563 -2.9048 -2.9043 -2.1026 -2.1003 -1.7121 -1.7115 -1.1601 -1.1600 -0.4732 -0.4705 -0.0176 -0.0083 1.0360 1.0378 1.0559 1.0603 1.4719 1.4721 1.9927 1.9953 2.4545 2.4556 2.5630 2.5655 3.2387 3.2429 3.3174 3.3245 3.8966 3.8988 4.3916 4.3934 4.6791 4.6833 4.7068 4.7087 11.8275 11.8310 11.8317 11.8374 12.2937 12.2944 12.7283 12.7348 13.1585 13.1589 k =-0.3448 0.5599 0.3103 ( 4351 PWs) bands (ev): -13.4643 -13.4642 -13.3217 -13.3217 -10.7606 -10.7605 -9.5435 -9.5422 -9.3130 -9.3102 -8.7879 -8.7831 -2.8566 -2.8561 -2.1072 -2.1051 -1.7369 -1.7364 -1.2165 -1.2164 -0.4103 -0.4080 0.0583 0.0675 1.0350 1.0362 1.0745 1.0788 1.4306 1.4307 1.9939 1.9968 2.4125 2.4147 2.5660 2.5687 3.2509 3.2540 3.3274 3.3330 3.9183 3.9206 4.3899 4.3916 4.6633 4.6673 4.6874 4.6891 11.8072 11.8084 11.8450 11.8533 12.2763 12.2772 12.7434 12.7502 13.1147 13.1152 k =-0.3448 0.5599 0.3266 ( 4338 PWs) bands (ev): -13.4591 -13.4590 -13.3253 -13.3252 -10.7248 -10.7246 -9.5237 -9.5226 -9.3706 -9.3679 -8.8153 -8.8107 -2.8083 -2.8077 -2.1088 -2.1070 -1.7631 -1.7626 -1.2723 -1.2721 -0.3451 -0.3432 0.1324 0.1415 1.0319 1.0326 1.0917 1.0956 1.3915 1.3917 1.9979 2.0010 2.3679 2.3711 2.5663 2.5692 3.2601 3.2620 3.3403 3.3442 3.9405 3.9429 4.3887 4.3904 4.6460 4.6498 4.6678 4.6694 11.7876 11.7891 11.8662 11.8746 12.2633 12.2643 12.7557 12.7629 13.0689 13.0696 k =-0.3448 0.5599 0.3430 ( 4338 PWs) bands (ev): -13.4538 -13.4537 -13.3290 -13.3290 -10.6873 -10.6870 -9.5030 -9.5021 -9.4288 -9.4263 -8.8432 -8.8389 -2.7599 -2.7592 -2.1075 -2.1058 -1.7906 -1.7902 -1.3274 -1.3271 -0.2778 -0.2763 0.2043 0.2133 1.0268 1.0270 1.1047 1.1078 1.3570 1.3579 2.0049 2.0083 2.3207 2.3249 2.5636 2.5667 3.2674 3.2685 3.3542 3.3567 3.9634 3.9658 4.3881 4.3898 4.6271 4.6307 4.6482 4.6495 11.7727 11.7745 11.8920 11.9003 12.2540 12.2550 12.7645 12.7720 13.0215 13.0225 k =-0.3448 0.5599 0.3593 ( 4338 PWs) bands (ev): -13.4484 -13.4483 -13.3330 -13.3329 -10.6482 -10.6479 -9.4877 -9.4854 -9.4812 -9.4805 -8.8717 -8.8677 -2.7115 -2.7109 -2.1032 -2.1017 -1.8193 -1.8190 -1.3815 -1.3811 -0.2087 -0.2077 0.2736 0.2824 1.0196 1.0199 1.1094 1.1110 1.3316 1.3338 2.0150 2.0186 2.2712 2.2764 2.5578 2.5611 3.2741 3.2747 3.3676 3.3690 3.9872 3.9896 4.3882 4.3899 4.6068 4.6103 4.6286 4.6297 11.7629 11.7649 11.9220 11.9304 12.2475 12.2487 12.7686 12.7764 12.9733 12.9746 k =-0.3448 0.5599 0.3756 ( 4341 PWs) bands (ev): -13.4429 -13.4428 -13.3371 -13.3370 -10.6075 -10.6071 -9.5466 -9.5444 -9.4591 -9.4584 -8.9007 -8.8969 -2.6634 -2.6627 -2.0960 -2.0947 -1.8494 -1.8491 -1.4345 -1.4340 -0.1381 -0.1376 0.3400 0.3486 1.0103 1.0112 1.0999 1.1004 1.3205 1.3247 2.0283 2.0321 2.2197 2.2258 2.5487 2.5522 3.2809 3.2811 3.3796 3.3801 4.0119 4.0143 4.3890 4.3907 4.5851 4.5883 4.6092 4.6101 11.7586 11.7608 11.9560 11.9643 12.2429 12.2442 12.7673 12.7753 12.9251 12.9268 k =-0.3448 0.5599 0.3920 ( 4341 PWs) bands (ev): -13.4373 -13.4372 -13.3413 -13.3413 -10.5653 -10.5649 -9.6058 -9.6037 -9.4359 -9.4354 -8.9301 -8.9265 -2.6156 -2.6149 -2.0859 -2.0848 -1.8806 -1.8804 -1.4862 -1.4856 -0.0662 -0.0662 0.4032 0.4116 0.9993 1.0006 1.0734 1.0757 1.3257 1.3317 2.0449 2.0488 2.1665 2.1734 2.5364 2.5401 3.2881 3.2883 3.3893 3.3894 4.0377 4.0401 4.3906 4.3923 4.5619 4.5650 4.5902 4.5909 11.7601 11.7625 11.9936 12.0020 12.2390 12.2403 12.7598 12.7678 12.8783 12.8803 k =-0.3448 0.5599 0.4083 ( 4333 PWs) bands (ev): -13.4316 -13.4315 -13.3458 -13.3457 -10.5215 -10.5211 -9.6650 -9.6630 -9.4119 -9.4116 -8.9597 -8.9564 -2.5683 -2.5676 -2.0730 -2.0721 -1.9131 -1.9129 -1.5365 -1.5359 0.0059 0.0065 0.4630 0.4712 0.9864 0.9882 1.0352 1.0386 1.3438 1.3511 2.0646 2.0686 2.1119 2.1195 2.5209 2.5247 3.2960 3.2962 3.3963 3.3970 4.0645 4.0668 4.3932 4.3948 4.5374 4.5404 4.5717 4.5721 11.7674 11.7700 12.0346 12.0429 12.2343 12.2355 12.7455 12.7536 12.8345 12.8370 k =-0.3448 0.5599 0.4246 ( 4337 PWs) bands (ev): -13.4259 -13.4258 -13.3504 -13.3503 -10.4764 -10.4758 -9.7241 -9.7222 -9.3871 -9.3870 -8.9895 -8.9865 -2.5214 -2.5207 -2.0574 -2.0567 -1.9467 -1.9465 -1.5853 -1.5847 0.0786 0.0797 0.5192 0.5271 0.9718 0.9739 0.9895 0.9935 1.3707 1.3788 2.0561 2.0644 2.0874 2.0916 2.5022 2.5062 3.3046 3.3049 3.4009 3.4019 4.0923 4.0947 4.3966 4.3982 4.5117 4.5146 4.5537 4.5539 11.7807 11.7834 12.0786 12.0868 12.2268 12.2280 12.7244 12.7324 12.7960 12.7988 k =-0.3448 0.5599 0.4410 ( 4339 PWs) bands (ev): -13.4202 -13.4201 -13.3551 -13.3550 -10.4298 -10.4292 -9.7829 -9.7811 -9.3617 -9.3616 -9.0194 -9.0167 -2.4751 -2.4744 -2.0390 -2.0385 -1.9814 -1.9813 -1.6324 -1.6319 0.1515 0.1531 0.5718 0.5794 0.9383 0.9430 0.9555 0.9582 1.4035 1.4121 1.9998 2.0087 2.1129 2.1172 2.4805 2.4846 3.3138 3.3143 3.4030 3.4043 4.1212 4.1234 4.4011 4.4026 4.4848 4.4876 4.5364 4.5364 11.7998 11.8025 12.1251 12.1333 12.2147 12.2157 12.6967 12.7046 12.7651 12.7682 k =-0.3448 0.5599 0.4573 ( 4333 PWs) bands (ev): -13.4145 -13.4144 -13.3600 -13.3599 -10.3818 -10.3811 -9.8413 -9.8396 -9.3357 -9.3355 -9.0494 -9.0469 -2.4294 -2.4288 -2.0196 -2.0196 -2.0156 -2.0153 -1.6779 -1.6773 0.2242 0.2264 0.6207 0.6279 0.8840 0.8888 0.9371 0.9403 1.4405 1.4496 1.9432 1.9525 2.1409 2.1452 2.4560 2.4602 3.3236 3.3243 3.4028 3.4043 4.1508 4.1531 4.4065 4.4079 4.4570 4.4596 4.5197 4.5199 11.8244 11.8272 12.1733 12.1819 12.1961 12.1973 12.6629 12.6707 12.7443 12.7474 k =-0.3448 0.5599 0.4736 ( 4331 PWs) bands (ev): -13.4087 -13.4087 -13.3650 -13.3649 -10.3326 -10.3318 -9.8992 -9.8977 -9.3091 -9.3087 -9.0793 -9.0771 -2.3844 -2.3838 -2.0544 -2.0543 -1.9943 -1.9941 -1.7215 -1.7209 0.2965 0.2991 0.6660 0.6728 0.8267 0.8317 0.9168 0.9205 1.4810 1.4905 1.8867 1.8964 2.1710 2.1754 2.4290 2.4333 3.3338 3.3347 3.4004 3.4020 4.1812 4.1834 4.4130 4.4142 4.4283 4.4307 4.5038 4.5042 11.8543 11.8570 12.1700 12.1703 12.2247 12.2323 12.6240 12.6317 12.7349 12.7380 k =-0.3448 0.5599 0.4900 ( 4336 PWs) bands (ev): -13.4031 -13.4030 -13.3702 -13.3701 -10.2820 -10.2812 -9.9565 -9.9550 -9.2819 -9.2812 -9.1091 -9.1071 -2.3402 -2.3396 -2.0923 -2.0922 -1.9682 -1.9681 -1.7631 -1.7627 0.3679 0.3711 0.7077 0.7141 0.7671 0.7719 0.8945 0.8986 1.5244 1.5342 1.8307 1.8407 2.2028 2.2072 2.3998 2.4041 3.3441 3.3452 3.3960 3.3977 4.2121 4.2143 4.3983 4.4009 4.4206 4.4221 4.4888 4.4894 11.8888 11.8914 12.1369 12.1375 12.2762 12.2839 12.5806 12.5883 12.7374 12.7403 k =-0.3448 0.5599 0.5063 ( 4334 PWs) bands (ev): -13.3974 -13.3973 -13.3754 -13.3753 -10.2303 -10.2294 -10.0130 -10.0117 -9.2541 -9.2533 -9.1388 -9.1370 -2.2967 -2.2962 -2.1313 -2.1311 -1.9397 -1.9397 -1.8028 -1.8024 0.4384 0.4420 0.7048 0.7097 0.7462 0.7524 0.8700 0.8744 1.5705 1.5805 1.7756 1.7858 2.2357 2.2402 2.3688 2.3732 3.3544 3.3557 3.3899 3.3916 4.2433 4.2456 4.3681 4.3705 4.4293 4.4306 4.4748 4.4756 11.9272 11.9297 12.0981 12.0992 12.3286 12.3362 12.5339 12.5415 12.7509 12.7537 k =-0.3448 0.5599 0.5226 ( 4332 PWs) bands (ev): -13.3918 -13.3917 -13.3808 -13.3807 -10.1775 -10.1765 -10.0688 -10.0676 -9.2259 -9.2248 -9.1681 -9.1666 -2.2540 -2.2536 -2.1713 -2.1710 -1.9089 -1.9088 -1.8404 -1.8400 0.5075 0.5115 0.6409 0.6456 0.7814 0.7871 0.8431 0.8480 1.6189 1.6291 1.7217 1.7320 2.2693 2.2738 2.3364 2.3408 3.3644 3.3658 3.3824 3.3841 4.2747 4.2770 4.3373 4.3397 4.4391 4.4402 4.4619 4.4627 11.9687 11.9710 12.0558 12.0574 12.3812 12.3888 12.4845 12.4921 12.7743 12.7770 k =-0.3448 0.5599 0.5390 ( 4330 PWs) bands (ev): -13.3862 -13.3862 -13.3862 -13.3862 -10.1236 -10.1236 -10.1225 -10.1225 -9.1972 -9.1972 -9.1959 -9.1959 -2.2122 -2.2122 -2.2119 -2.2119 -1.8758 -1.8758 -1.8755 -1.8755 0.5751 0.5751 0.5794 0.5794 0.8136 0.8136 0.8189 0.8189 1.6694 1.6694 1.6797 1.6797 2.3031 2.3031 2.3075 2.3075 3.3738 3.3738 3.3754 3.3754 4.3061 4.3061 4.3084 4.3084 4.4499 4.4499 4.4509 4.4509 12.0121 12.0121 12.0140 12.0140 12.4334 12.4334 12.4409 12.4409 12.8061 12.8061 k =-0.3448 0.5599 0.5390 ( 4330 PWs) bands (ev): -13.3862 -13.3862 -13.3862 -13.3862 -10.1236 -10.1236 -10.1225 -10.1225 -9.1972 -9.1972 -9.1959 -9.1959 -2.2122 -2.2122 -2.2119 -2.2119 -1.8758 -1.8758 -1.8755 -1.8755 0.5751 0.5751 0.5794 0.5794 0.8136 0.8136 0.8189 0.8189 1.6694 1.6694 1.6797 1.6797 2.3031 2.3031 2.3075 2.3075 3.3738 3.3738 3.3754 3.3754 4.3061 4.3061 4.3084 4.3084 4.4499 4.4499 4.4509 4.4509 12.0121 12.0121 12.0140 12.0140 12.4334 12.4334 12.4409 12.4409 12.8061 12.8061 k =-0.3534 0.5459 0.5390 ( 4334 PWs) bands (ev): -13.3838 -13.3838 -13.3837 -13.3837 -10.1509 -10.1509 -10.1498 -10.1498 -9.1679 -9.1679 -9.1666 -9.1666 -2.1751 -2.1751 -2.1747 -2.1747 -1.9387 -1.9387 -1.9386 -1.9386 0.5908 0.5908 0.5952 0.5952 0.8205 0.8205 0.8255 0.8255 1.6721 1.6721 1.6823 1.6823 2.3150 2.3150 2.3193 2.3193 3.3658 3.3658 3.3672 3.3672 4.2764 4.2764 4.2788 4.2788 4.4743 4.4743 4.4753 4.4753 11.9780 11.9780 11.9802 11.9802 12.4355 12.4355 12.4427 12.4427 12.8315 12.8315 k =-0.3620 0.5319 0.5390 ( 4336 PWs) bands (ev): -13.3814 -13.3814 -13.3813 -13.3813 -10.1767 -10.1767 -10.1757 -10.1757 -9.1392 -9.1392 -9.1380 -9.1380 -2.1398 -2.1398 -2.1394 -2.1394 -1.9997 -1.9997 -1.9996 -1.9996 0.6050 0.6050 0.6094 0.6094 0.8272 0.8272 0.8319 0.8319 1.6755 1.6755 1.6854 1.6854 2.3280 2.3280 2.3320 2.3320 3.3570 3.3570 3.3582 3.3582 4.2480 4.2480 4.2504 4.2504 4.4987 4.4987 4.4997 4.4997 11.9420 11.9420 11.9443 11.9443 12.4385 12.4385 12.4454 12.4454 12.8606 12.8606 k =-0.3707 0.5179 0.5390 ( 4340 PWs) bands (ev): -13.3792 -13.3792 -13.3791 -13.3791 -10.2012 -10.2012 -10.2002 -10.2002 -9.1114 -9.1114 -9.1102 -9.1102 -2.1064 -2.1064 -2.1060 -2.1060 -2.0585 -2.0585 -2.0585 -2.0585 0.6177 0.6177 0.6219 0.6219 0.8337 0.8337 0.8381 0.8381 1.6795 1.6795 1.6891 1.6891 2.3418 2.3418 2.3456 2.3456 3.3474 3.3474 3.3484 3.3484 4.2211 4.2211 4.2235 4.2235 4.5229 4.5229 4.5239 4.5239 11.9052 11.9052 11.9075 11.9075 12.4427 12.4427 12.4492 12.4492 12.8924 12.8924 k =-0.3793 0.5039 0.5390 ( 4344 PWs) bands (ev): -13.3771 -13.3771 -13.3771 -13.3771 -10.2242 -10.2242 -10.2233 -10.2233 -9.0845 -9.0845 -9.0833 -9.0833 -2.1152 -2.1152 -2.1151 -2.1151 -2.0747 -2.0747 -2.0743 -2.0743 0.6289 0.6289 0.6330 0.6330 0.8400 0.8400 0.8441 0.8441 1.6839 1.6839 1.6932 1.6932 2.3563 2.3563 2.3599 2.3599 3.3370 3.3370 3.3379 3.3379 4.1957 4.1957 4.1980 4.1980 4.5468 4.5468 4.5478 4.5478 11.8683 11.8683 11.8706 11.8706 12.4485 12.4485 12.4547 12.4547 12.9257 12.9257 k =-0.3879 0.4899 0.5390 ( 4348 PWs) bands (ev): -13.3752 -13.3752 -13.3751 -13.3751 -10.2457 -10.2457 -10.2449 -10.2449 -9.0586 -9.0586 -9.0576 -9.0576 -2.1689 -2.1689 -2.1688 -2.1688 -2.0453 -2.0453 -2.0449 -2.0449 0.6388 0.6388 0.6428 0.6428 0.8460 0.8460 0.8498 0.8498 1.6887 1.6887 1.6975 1.6975 2.3712 2.3712 2.3746 2.3746 3.3260 3.3260 3.3268 3.3268 4.1719 4.1719 4.1742 4.1742 4.5701 4.5701 4.5711 4.5711 11.8320 11.8320 11.8343 11.8343 12.4562 12.4562 12.4619 12.4619 12.9597 12.9597 k =-0.3965 0.4759 0.5390 ( 4348 PWs) bands (ev): -13.3734 -13.3734 -13.3733 -13.3733 -10.2658 -10.2658 -10.2650 -10.2650 -9.0340 -9.0340 -9.0330 -9.0330 -2.2198 -2.2198 -2.2197 -2.2197 -2.0178 -2.0178 -2.0175 -2.0175 0.6475 0.6475 0.6513 0.6513 0.8518 0.8518 0.8553 0.8553 1.6936 1.6936 1.7020 1.7020 2.3865 2.3865 2.3896 2.3896 3.3145 3.3145 3.3152 3.3152 4.1498 4.1498 4.1521 4.1521 4.5927 4.5927 4.5937 4.5937 11.7970 11.7970 11.7992 11.7992 12.4657 12.4657 12.4711 12.4711 12.9938 12.9938 k =-0.4052 0.4619 0.5390 ( 4348 PWs) bands (ev): -13.3717 -13.3717 -13.3716 -13.3716 -10.2843 -10.2843 -10.2836 -10.2836 -9.0108 -9.0108 -9.0098 -9.0098 -2.2675 -2.2675 -2.2674 -2.2674 -1.9924 -1.9924 -1.9921 -1.9921 0.6551 0.6551 0.6587 0.6587 0.8573 0.8573 0.8604 0.8604 1.6986 1.6986 1.7065 1.7065 2.4018 2.4018 2.4047 2.4047 3.3026 3.3026 3.3032 3.3032 4.1295 4.1295 4.1316 4.1316 4.6143 4.6143 4.6153 4.6153 11.7636 11.7636 11.7657 11.7657 12.4773 12.4773 12.4823 12.4823 13.0273 13.0273 k =-0.4138 0.4479 0.5390 ( 4344 PWs) bands (ev): -13.3701 -13.3701 -13.3701 -13.3701 -10.3013 -10.3013 -10.3006 -10.3006 -8.9890 -8.9890 -8.9881 -8.9881 -2.3119 -2.3119 -2.3118 -2.3118 -1.9691 -1.9691 -1.9688 -1.9688 0.6617 0.6617 0.6650 0.6650 0.8624 0.8624 0.8653 0.8653 1.7036 1.7036 1.7109 1.7109 2.4170 2.4170 2.4197 2.4197 3.2905 3.2905 3.2911 3.2911 4.1110 4.1110 4.1130 4.1130 4.6348 4.6348 4.6357 4.6357 11.7322 11.7322 11.7341 11.7341 12.4908 12.4908 12.4954 12.4954 13.0596 13.0596 k =-0.4224 0.4339 0.5390 ( 4346 PWs) bands (ev): -13.3688 -13.3688 -13.3687 -13.3687 -10.3167 -10.3167 -10.3161 -10.3161 -8.9689 -8.9689 -8.9681 -8.9681 -2.3528 -2.3528 -2.3526 -2.3526 -1.9479 -1.9479 -1.9476 -1.9476 0.6673 0.6673 0.6704 0.6704 0.8672 0.8672 0.8698 0.8698 1.7084 1.7084 1.7151 1.7151 2.4319 2.4319 2.4344 2.4344 3.2784 3.2784 3.2789 3.2789 4.0943 4.0943 4.0961 4.0961 4.6540 4.6540 4.6548 4.6548 11.7031 11.7031 11.7048 11.7048 12.5059 12.5059 12.5101 12.5101 13.0902 13.0902 k =-0.4310 0.4199 0.5390 ( 4342 PWs) bands (ev): -13.3675 -13.3675 -13.3675 -13.3675 -10.3305 -10.3305 -10.3300 -10.3300 -8.9504 -8.9504 -8.9497 -8.9497 -2.3899 -2.3899 -2.3897 -2.3897 -1.9289 -1.9289 -1.9287 -1.9287 0.6722 0.6722 0.6750 0.6750 0.8716 0.8716 0.8739 0.8739 1.7130 1.7130 1.7191 1.7191 2.4461 2.4461 2.4484 2.4484 3.2666 3.2666 3.2670 3.2670 4.0794 4.0794 4.0811 4.0811 4.6717 4.6717 4.6725 4.6725 11.6765 11.6765 11.6781 11.6781 12.5225 12.5225 12.5263 12.5263 13.1189 13.1189 k =-0.4396 0.4059 0.5390 ( 4346 PWs) bands (ev): -13.3664 -13.3664 -13.3664 -13.3664 -10.3428 -10.3428 -10.3423 -10.3423 -8.9339 -8.9339 -8.9332 -8.9332 -2.4231 -2.4231 -2.4229 -2.4229 -1.9121 -1.9121 -1.9118 -1.9118 0.6763 0.6763 0.6788 0.6788 0.8756 0.8756 0.8776 0.8776 1.7173 1.7173 1.7227 1.7227 2.4596 2.4596 2.4616 2.4616 3.2552 3.2552 3.2556 3.2556 4.0663 4.0663 4.0678 4.0678 4.6877 4.6877 4.6884 4.6884 11.6526 11.6526 11.6541 11.6541 12.5399 12.5399 12.5433 12.5433 13.1450 13.1450 k =-0.4483 0.3919 0.5390 ( 4342 PWs) bands (ev): -13.3654 -13.3654 -13.3654 -13.3654 -10.3534 -10.3534 -10.3530 -10.3530 -8.9193 -8.9193 -8.9187 -8.9187 -2.4522 -2.4522 -2.4520 -2.4520 -1.8974 -1.8974 -1.8972 -1.8972 0.6797 0.6797 0.6819 0.6819 0.8791 0.8791 0.8808 0.8808 1.7212 1.7212 1.7259 1.7259 2.4720 2.4720 2.4738 2.4738 3.2446 3.2446 3.2449 3.2449 4.0550 4.0550 4.0564 4.0564 4.7020 4.7020 4.7025 4.7025 11.6316 11.6316 11.6329 11.6329 12.5577 12.5577 12.5606 12.5606 13.1683 13.1685 k =-0.4569 0.3779 0.5390 ( 4350 PWs) bands (ev): -13.3646 -13.3646 -13.3646 -13.3646 -10.3625 -10.3625 -10.3621 -10.3621 -8.9068 -8.9068 -8.9063 -8.9063 -2.4771 -2.4771 -2.4769 -2.4769 -1.8850 -1.8850 -1.8848 -1.8848 0.6826 0.6826 0.6844 0.6844 0.8822 0.8822 0.8836 0.8836 1.7247 1.7247 1.7286 1.7286 2.4831 2.4831 2.4846 2.4846 3.2350 3.2350 3.2353 3.2353 4.0456 4.0456 4.0467 4.0467 4.7142 4.7142 4.7147 4.7147 11.6137 11.6137 11.6148 11.6148 12.5750 12.5750 12.5775 12.5775 13.1886 13.1887 k =-0.4655 0.3639 0.5390 ( 4354 PWs) bands (ev): -13.3640 -13.3640 -13.3639 -13.3639 -10.3698 -10.3698 -10.3696 -10.3696 -8.8964 -8.8964 -8.8960 -8.8960 -2.4976 -2.4976 -2.4975 -2.4975 -1.8748 -1.8748 -1.8747 -1.8747 0.6849 0.6849 0.6863 0.6863 0.8847 0.8847 0.8859 0.8859 1.7276 1.7276 1.7308 1.7308 2.4926 2.4926 2.4938 2.4938 3.2267 3.2267 3.2270 3.2270 4.0379 4.0379 4.0388 4.0388 4.7244 4.7244 4.7248 4.7248 11.5989 11.5989 11.5998 11.5998 12.5910 12.5910 12.5931 12.5931 13.2056 13.2056 k =-0.4741 0.3499 0.5390 ( 4352 PWs) bands (ev): -13.3634 -13.3634 -13.3634 -13.3634 -10.3756 -10.3756 -10.3754 -10.3754 -8.8882 -8.8882 -8.8879 -8.8879 -2.5137 -2.5137 -2.5136 -2.5136 -1.8669 -1.8669 -1.8668 -1.8668 0.6866 0.6866 0.6877 0.6877 0.8868 0.8868 0.8877 0.8877 1.7301 1.7301 1.7325 1.7325 2.5003 2.5003 2.5012 2.5012 3.2200 3.2200 3.2202 3.2202 4.0319 4.0319 4.0326 4.0326 4.7325 4.7325 4.7328 4.7328 11.5873 11.5873 11.5880 11.5880 12.6049 12.6049 12.6064 12.6064 13.2190 13.2190 k =-0.4828 0.3359 0.5390 ( 4368 PWs) bands (ev): -13.3631 -13.3631 -13.3631 -13.3631 -10.3797 -10.3797 -10.3795 -10.3795 -8.8823 -8.8823 -8.8821 -8.8821 -2.5252 -2.5252 -2.5251 -2.5251 -1.8612 -1.8612 -1.8611 -1.8611 0.6879 0.6879 0.6887 0.6887 0.8883 0.8883 0.8889 0.8889 1.7319 1.7319 1.7335 1.7335 2.5060 2.5060 2.5066 2.5066 3.2150 3.2150 3.2151 3.2151 4.0277 4.0277 4.0282 4.0282 4.7383 4.7383 4.7385 4.7385 11.5791 11.5791 11.5795 11.5795 12.6156 12.6156 12.6167 12.6167 13.2286 13.2287 k =-0.4914 0.3219 0.5390 ( 4376 PWs) bands (ev): -13.3629 -13.3629 -13.3628 -13.3628 -10.3821 -10.3821 -10.3821 -10.3821 -8.8787 -8.8787 -8.8786 -8.8786 -2.5321 -2.5321 -2.5321 -2.5321 -1.8578 -1.8578 -1.8577 -1.8577 0.6888 0.6888 0.6891 0.6891 0.8893 0.8893 0.8896 0.8896 1.7332 1.7332 1.7341 1.7341 2.5095 2.5095 2.5098 2.5098 3.2120 3.2120 3.2120 3.2120 4.0253 4.0253 4.0255 4.0255 4.7418 4.7418 4.7419 4.7419 11.5741 11.5741 11.5743 11.5743 12.6225 12.6225 12.6230 12.6230 13.2345 13.2345 k =-0.5000 0.3079 0.5390 ( 4384 PWs) bands (ev): -13.3628 -13.3628 -13.3628 -13.3628 -10.3829 -10.3829 -10.3829 -10.3829 -8.8775 -8.8775 -8.8775 -8.8775 -2.5344 -2.5344 -2.5344 -2.5344 -1.8566 -1.8566 -1.8566 -1.8566 0.6892 0.6892 0.6892 0.6892 0.8897 0.8897 0.8897 0.8897 1.7339 1.7339 1.7339 1.7339 2.5108 2.5108 2.5108 2.5108 3.2110 3.2110 3.2110 3.2110 4.0245 4.0245 4.0245 4.0245 4.7430 4.7430 4.7430 4.7430 11.5725 11.5725 11.5725 11.5725 12.6250 12.6250 12.6250 12.6250 13.2365 13.2365 k =-0.5000 0.3079 0.5390 ( 4384 PWs) bands (ev): -13.3628 -13.3628 -13.3628 -13.3628 -10.3829 -10.3829 -10.3829 -10.3829 -8.8775 -8.8775 -8.8775 -8.8775 -2.5344 -2.5344 -2.5344 -2.5344 -1.8566 -1.8566 -1.8566 -1.8566 0.6892 0.6892 0.6892 0.6892 0.8897 0.8897 0.8897 0.8897 1.7339 1.7339 1.7339 1.7339 2.5108 2.5108 2.5108 2.5108 3.2110 3.2110 3.2110 3.2110 4.0245 4.0245 4.0245 4.0245 4.7430 4.7430 4.7430 4.7430 11.5725 11.5725 11.5725 11.5725 12.6250 12.6250 12.6250 12.6250 13.2365 13.2365 k =-0.5000 0.3079 0.5226 ( 4376 PWs) bands (ev): -13.3676 -13.3676 -13.3580 -13.3580 -10.4394 -10.4394 -10.3253 -10.3253 -8.8856 -8.8856 -8.8695 -8.8695 -2.5429 -2.5429 -2.5229 -2.5229 -1.8991 -1.8991 -1.8163 -1.8163 0.6006 0.6006 0.7775 0.7775 0.8789 0.8789 0.8985 0.8985 1.7021 1.7021 1.7679 1.7679 2.5046 2.5046 2.5154 2.5154 3.2062 3.2062 3.2128 3.2128 3.9939 3.9939 4.0560 4.0560 4.7402 4.7402 4.7470 4.7470 11.5742 11.5742 11.5774 11.5774 12.6229 12.6229 12.6237 12.6237 13.2063 13.2063 k =-0.5000 0.3079 0.5063 ( 4360 PWs) bands (ev): -13.3725 -13.3725 -13.3533 -13.3533 -10.4948 -10.4948 -10.2667 -10.2667 -8.8939 -8.8939 -8.8616 -8.8616 -2.5484 -2.5484 -2.5084 -2.5084 -1.9439 -1.9439 -1.7782 -1.7782 0.5127 0.5127 0.8637 0.8637 0.8668 0.8668 0.9054 0.9054 1.6732 1.6732 1.8034 1.8034 2.4967 2.4967 2.5183 2.5183 3.1980 3.1980 3.2120 3.2120 3.9642 3.9642 4.0879 4.0879 4.7383 4.7383 4.7520 4.7520 11.5818 11.5818 11.5890 11.5890 12.6172 12.6172 12.6190 12.6190 13.1781 13.1781 k =-0.5000 0.3079 0.4900 ( 4360 PWs) bands (ev): -13.3774 -13.3774 -13.3487 -13.3487 -10.5488 -10.5488 -10.2072 -10.2072 -8.9022 -8.9022 -8.8539 -8.8539 -2.5508 -2.5508 -2.4910 -2.4910 -1.9910 -1.9910 -1.7421 -1.7421 0.4261 0.4261 0.8506 0.8506 0.9103 0.9103 0.9492 0.9492 1.6483 1.6483 1.8402 1.8402 2.4873 2.4873 2.5196 2.5196 3.1862 3.1862 3.2093 3.2093 3.9359 3.9359 4.1198 4.1198 4.7373 4.7373 4.7581 4.7581 11.5950 11.5950 11.6077 11.6077 12.6077 12.6077 12.6114 12.6114 13.1526 13.1526 k =-0.5000 0.3079 0.4736 ( 4364 PWs) bands (ev): -13.3823 -13.3823 -13.3442 -13.3442 -10.6016 -10.6016 -10.1468 -10.1468 -8.9105 -8.9105 -8.8464 -8.8464 -2.5501 -2.5501 -2.4706 -2.4706 -2.0405 -2.0405 -1.7079 -1.7079 0.3411 0.3411 0.8328 0.8328 0.9135 0.9135 1.0289 1.0289 1.6293 1.6293 1.8778 1.8778 2.4764 2.4764 2.5192 2.5192 3.1706 3.1706 3.2051 3.2051 3.9091 3.9091 4.1514 4.1514 4.7372 4.7372 4.7654 4.7654 11.6130 11.6130 11.6337 11.6337 12.5946 12.5946 12.6013 12.6013 13.1303 13.1303 k =-0.5000 0.3079 0.4573 ( 4360 PWs) bands (ev): -13.3872 -13.3872 -13.3398 -13.3398 -10.6531 -10.6531 -10.0857 -10.0857 -8.9189 -8.9189 -8.8391 -8.8391 -2.5464 -2.5464 -2.4474 -2.4474 -2.0923 -2.0923 -1.6757 -1.6757 0.2584 0.2584 0.8125 0.8125 0.9147 0.9147 1.1006 1.1006 1.6190 1.6190 1.9162 1.9162 2.4640 2.4640 2.5174 2.5174 3.1514 3.1514 3.1999 3.1999 3.8838 3.8838 4.1825 4.1825 4.7380 4.7380 4.7738 4.7738 11.6352 11.6352 11.6670 11.6670 12.5779 12.5779 12.5892 12.5892 13.1119 13.1119 k =-0.5000 0.3079 0.4410 ( 4356 PWs) bands (ev): -13.3922 -13.3922 -13.3354 -13.3354 -10.7031 -10.7031 -10.0239 -10.0239 -8.9273 -8.9273 -8.8319 -8.8319 -2.5396 -2.5396 -2.4214 -2.4214 -2.1464 -2.1464 -1.6452 -1.6452 0.1782 0.1782 0.7893 0.7893 0.9142 0.9142 1.1600 1.1600 1.6216 1.6216 1.9550 1.9550 2.4503 2.4503 2.5142 2.5142 3.1287 3.1287 3.1941 3.1941 3.8601 3.8601 4.2127 4.2127 4.7395 4.7395 4.7835 4.7835 11.6607 11.6607 11.7077 11.7077 12.5579 12.5579 12.5756 12.5756 13.0979 13.0979 k =-0.5000 0.3079 0.4246 ( 4352 PWs) bands (ev): -13.3971 -13.3971 -13.3312 -13.3312 -10.7517 -10.7517 -9.9616 -9.9616 -8.9356 -8.9356 -8.8250 -8.8250 -2.5298 -2.5298 -2.3927 -2.3927 -2.2028 -2.2028 -1.6165 -1.6165 0.1008 0.1008 0.7631 0.7631 0.9117 0.9117 1.2026 1.2026 1.6412 1.6412 1.9942 1.9942 2.4352 2.4352 2.5099 2.5099 3.1029 3.1029 3.1882 3.1882 3.8376 3.8376 4.2418 4.2418 4.7418 4.7418 4.7943 4.7943 11.6886 11.6886 11.7556 11.7556 12.5350 12.5350 12.5608 12.5608 13.0892 13.0892 k =-0.5000 0.3079 0.4083 ( 4354 PWs) bands (ev): -13.4020 -13.4020 -13.3272 -13.3272 -10.7987 -10.7987 -9.8989 -9.8989 -8.9439 -8.9439 -8.8184 -8.8184 -2.5170 -2.5170 -2.3613 -2.3613 -2.2615 -2.2615 -1.5894 -1.5894 0.0264 0.0264 0.7339 0.7339 0.9071 0.9071 1.2264 1.2264 1.6795 1.6795 2.0335 2.0335 2.4189 2.4189 2.5047 2.5047 3.0745 3.0745 3.1824 3.1824 3.8164 3.8164 4.2695 4.2695 4.7447 4.7447 4.8064 4.8064 11.7182 11.7182 11.8107 11.8107 12.5097 12.5097 12.5453 12.5453 13.0863 13.0863 k =-0.5000 0.3079 0.3920 ( 4344 PWs) bands (ev): -13.4068 -13.4068 -13.3232 -13.3232 -10.8442 -10.8442 -9.8360 -9.8360 -8.9522 -8.9522 -8.8119 -8.8119 -2.5012 -2.5012 -2.3276 -2.3276 -2.3218 -2.3218 -1.5639 -1.5639 -0.0446 -0.0446 0.7013 0.7013 0.9005 0.9005 1.2337 1.2337 1.7339 1.7339 2.0728 2.0728 2.4015 2.4015 2.4989 2.4989 3.0441 3.0441 3.1770 3.1770 3.7962 3.7962 4.2957 4.2957 4.7482 4.7482 4.8196 4.8196 11.7483 11.7483 11.8728 11.8728 12.4824 12.4824 12.5295 12.5295 13.0900 13.0900 k =-0.5000 0.3079 0.3756 ( 4336 PWs) bands (ev): -13.4116 -13.4116 -13.3194 -13.3194 -10.8882 -10.8882 -9.7729 -9.7729 -8.9603 -8.9603 -8.8058 -8.8058 -2.4825 -2.4825 -2.3848 -2.3848 -2.2909 -2.2909 -1.5399 -1.5399 -0.1122 -0.1122 0.6654 0.6654 0.8915 0.8915 1.2293 1.2293 1.7993 1.7993 2.1120 2.1120 2.3831 2.3831 2.4927 2.4927 3.0123 3.0123 3.1721 3.1721 3.7767 3.7767 4.3204 4.3204 4.7522 4.7522 4.8340 4.8340 11.7782 11.7782 11.9415 11.9415 12.4535 12.4535 12.5136 12.5136 13.1009 13.1009 k =-0.5000 0.3079 0.3593 ( 4344 PWs) bands (ev): -13.4163 -13.4163 -13.3158 -13.3158 -10.9304 -10.9304 -9.7099 -9.7099 -8.9683 -8.9683 -8.7999 -8.7999 -2.4609 -2.4609 -2.4489 -2.4489 -2.2521 -2.2521 -1.5174 -1.5174 -0.1764 -0.1764 0.6261 0.6261 0.8801 0.8801 1.2177 1.2177 1.8710 1.8710 2.1510 2.1510 2.3638 2.3638 2.4866 2.4866 2.9797 2.9797 3.1677 3.1677 3.7577 3.7577 4.3432 4.3432 4.7566 4.7566 4.8495 4.8495 11.8070 11.8070 12.0167 12.0167 12.4236 12.4236 12.4981 12.4981 13.1193 13.1193 k =-0.5000 0.3079 0.3430 ( 4356 PWs) bands (ev): -13.4210 -13.4210 -13.3122 -13.3122 -10.9711 -10.9711 -9.6471 -9.6471 -8.9762 -8.9762 -8.7942 -8.7942 -2.5147 -2.5147 -2.4365 -2.4365 -2.2111 -2.2111 -1.4962 -1.4962 -0.2369 -0.2369 0.5833 0.5833 0.8661 0.8661 1.2017 1.2017 1.9458 1.9458 2.1895 2.1895 2.3439 2.3439 2.4807 2.4807 2.9470 2.9470 3.1640 3.1640 3.7390 3.7390 4.3643 4.3643 4.7614 4.7614 4.8661 4.8661 11.8341 11.8341 12.0978 12.0978 12.3931 12.3931 12.4831 12.4831 13.1455 13.1455 k =-0.5000 0.3079 0.3266 ( 4348 PWs) bands (ev): -13.4255 -13.4255 -13.3089 -13.3089 -11.0100 -11.0100 -9.5846 -9.5846 -8.9839 -8.9839 -8.7889 -8.7889 -2.5815 -2.5815 -2.4094 -2.4094 -2.1680 -2.1680 -1.4764 -1.4764 -0.2939 -0.2939 0.5372 0.5372 0.8494 0.8494 1.1835 1.1835 2.0214 2.0214 2.2274 2.2274 2.3236 2.3236 2.4755 2.4755 2.9147 2.9147 3.1609 3.1609 3.7206 3.7206 4.3835 4.3835 4.7666 4.7666 4.8837 4.8837 11.8589 11.8589 12.1846 12.1846 12.3623 12.3623 12.4690 12.4690 13.1796 13.1796 k =-0.5000 0.3079 0.3103 ( 4342 PWs) bands (ev): -13.4299 -13.4299 -13.3057 -13.3057 -11.0472 -11.0472 -9.5228 -9.5228 -8.9914 -8.9914 -8.7838 -8.7838 -2.6490 -2.6490 -2.3797 -2.3797 -2.1229 -2.1229 -1.4578 -1.4578 -0.3472 -0.3472 0.4879 0.4879 0.8297 0.8297 1.1641 1.1641 2.0964 2.0964 2.2647 2.2647 2.3031 2.3031 2.4711 2.4711 2.8831 2.8831 3.1583 3.1583 3.7023 3.7023 4.4009 4.4009 4.7720 4.7720 4.9021 4.9021 11.8813 11.8813 12.2765 12.2765 12.3317 12.3317 12.4560 12.4560 13.2213 13.2213 k =-0.5000 0.3079 0.2940 ( 4338 PWs) bands (ev): -13.4342 -13.4342 -13.3026 -13.3026 -11.0826 -11.0826 -9.4617 -9.4617 -8.9986 -8.9986 -8.7789 -8.7789 -2.7170 -2.7170 -2.3474 -2.3474 -2.0760 -2.0760 -1.4405 -1.4405 -0.3971 -0.3971 0.4355 0.4355 0.8070 0.8070 1.1443 1.1443 2.1699 2.1699 2.2825 2.2825 2.3014 2.3014 2.4676 2.4676 2.8527 2.8527 3.1562 3.1562 3.6840 3.6840 4.4165 4.4165 4.7775 4.7775 4.9214 4.9214 11.9011 11.9011 12.3013 12.3013 12.3733 12.3733 12.4442 12.4442 13.2701 13.2701 k =-0.5000 0.3079 0.2776 ( 4340 PWs) bands (ev): -13.4383 -13.4383 -13.2997 -13.2997 -11.1162 -11.1162 -9.4016 -9.4016 -9.0056 -9.0056 -8.7744 -8.7744 -2.7850 -2.7850 -2.3128 -2.3128 -2.0275 -2.0275 -1.4243 -1.4243 -0.4435 -0.4435 0.3803 0.3803 0.7812 0.7812 1.1246 1.1246 2.2411 2.2411 2.2627 2.2627 2.3369 2.3369 2.4653 2.4653 2.8236 2.8236 3.1545 3.1545 3.6659 3.6659 4.4302 4.4302 4.7832 4.7832 4.9414 4.9414 11.9184 11.9184 12.2718 12.2718 12.4337 12.4337 12.4740 12.4740 13.3055 13.3055 k =-0.5000 0.3079 0.2613 ( 4336 PWs) bands (ev): -13.4423 -13.4423 -13.2970 -13.2970 -11.1481 -11.1481 -9.3427 -9.3427 -9.0124 -9.0124 -8.7701 -8.7701 -2.8525 -2.8525 -2.2760 -2.2760 -1.9777 -1.9777 -1.4093 -1.4093 -0.4865 -0.4865 0.3225 0.3225 0.7522 0.7522 1.1054 1.1054 2.2435 2.2435 2.3094 2.3094 2.3715 2.3715 2.4642 2.4642 2.7961 2.7961 3.1532 3.1532 3.6480 3.6480 4.4423 4.4423 4.7890 4.7890 4.9619 4.9619 11.9336 11.9336 12.2432 12.2432 12.4248 12.4248 12.5781 12.5781 13.2659 13.2659 k =-0.5000 0.3079 0.2450 ( 4334 PWs) bands (ev): -13.4461 -13.4461 -13.2944 -13.2944 -11.1781 -11.1781 -9.2853 -9.2853 -9.0188 -9.0188 -8.7662 -8.7662 -2.9192 -2.9192 -2.2371 -2.2371 -1.9266 -1.9266 -1.3954 -1.3954 -0.5262 -0.5262 0.2626 0.2626 0.7203 0.7203 1.0868 1.0868 2.2253 2.2253 2.3740 2.3740 2.4054 2.4054 2.4643 2.4643 2.7704 2.7704 3.1521 3.1521 3.6302 3.6302 4.4526 4.4526 4.7947 4.7947 4.9828 4.9828 11.9467 11.9467 12.2157 12.2157 12.4176 12.4176 12.6851 12.6851 13.2251 13.2251 k =-0.5000 0.3079 0.2287 ( 4334 PWs) bands (ev): -13.4498 -13.4498 -13.2920 -13.2920 -11.2063 -11.2063 -9.2296 -9.2296 -9.0250 -9.0250 -8.7625 -8.7625 -2.9846 -2.9846 -2.1964 -2.1964 -1.8747 -1.8747 -1.3826 -1.3826 -0.5627 -0.5627 0.2009 0.2009 0.6855 0.6855 1.0690 1.0690 2.2084 2.2084 2.4296 2.4296 2.4434 2.4434 2.4655 2.4655 2.7463 2.7463 3.1511 3.1511 3.6128 3.6128 4.4614 4.4614 4.8004 4.8004 5.0038 5.0038 11.9583 11.9583 12.1896 12.1896 12.4120 12.4120 12.7941 12.7941 13.1838 13.1838 k =-0.5000 0.3079 0.2123 ( 4334 PWs) bands (ev): -13.4532 -13.4532 -13.2898 -13.2898 -11.2326 -11.2326 -9.1760 -9.1760 -9.0308 -9.0308 -8.7590 -8.7590 -3.0482 -3.0482 -2.1541 -2.1541 -1.8222 -1.8222 -1.3708 -1.3708 -0.5962 -0.5962 0.1379 0.1379 0.6481 0.6481 1.0521 1.0521 2.1930 2.1930 2.4637 2.4637 2.4683 2.4683 2.4973 2.4973 2.7241 2.7241 3.1503 3.1503 3.5958 3.5958 4.4688 4.4688 4.8060 4.8060 5.0248 5.0248 11.9685 11.9685 12.1649 12.1649 12.4081 12.4081 12.9044 12.9044 13.1425 13.1425 k =-0.5000 0.3079 0.1960 ( 4326 PWs) bands (ev): -13.4564 -13.4564 -13.2877 -13.2877 -11.2570 -11.2570 -9.1246 -9.1246 -9.0362 -9.0362 -8.7559 -8.7559 -3.1096 -3.1096 -2.1105 -2.1105 -1.7695 -1.7695 -1.3599 -1.3599 -0.6267 -0.6267 0.0741 0.0741 0.6084 0.6084 1.0363 1.0363 2.1792 2.1792 2.4708 2.4708 2.4937 2.4937 2.5510 2.5510 2.7036 2.7036 3.1495 3.1495 3.5793 3.5793 4.4749 4.4749 4.8114 4.8114 5.0456 5.0456 11.9777 11.9777 12.1418 12.1418 12.4059 12.4059 13.0150 13.0150 13.1019 13.1019 k =-0.5000 0.3079 0.1797 ( 4326 PWs) bands (ev): -13.4594 -13.4594 -13.2858 -13.2858 -11.2795 -11.2795 -9.0759 -9.0759 -9.0413 -9.0413 -8.7530 -8.7530 -3.1682 -3.1682 -2.0659 -2.0659 -1.7170 -1.7170 -1.3501 -1.3501 -0.6544 -0.6544 0.0100 0.0100 0.5670 0.5670 1.0216 1.0216 2.1670 2.1670 2.4748 2.4748 2.5207 2.5207 2.6011 2.6011 2.6848 2.6848 3.1487 3.1487 3.5635 3.5635 4.4797 4.4797 4.8166 4.8166 5.0659 5.0659 11.9859 11.9859 12.1204 12.1204 12.4053 12.4053 13.0621 13.0621 13.1252 13.1252 k =-0.5000 0.3079 0.1633 ( 4324 PWs) bands (ev): -13.4622 -13.4622 -13.2840 -13.2840 -11.3001 -11.3001 -9.0460 -9.0460 -9.0300 -9.0300 -8.7504 -8.7504 -3.2237 -3.2237 -2.0208 -2.0208 -1.6651 -1.6651 -1.3412 -1.3412 -0.6793 -0.6793 -0.0537 -0.0537 0.5244 0.5244 1.0080 1.0080 2.1566 2.1566 2.4794 2.4794 2.5458 2.5458 2.6470 2.6470 2.6678 2.6678 3.1480 3.1480 3.5484 3.5484 4.4835 4.4835 4.8214 4.8214 5.0855 5.0855 11.9935 11.9935 12.1007 12.1007 12.4062 12.4062 13.0241 13.0241 13.2333 13.2333 k =-0.5000 0.3079 0.1470 ( 4318 PWs) bands (ev): -13.4648 -13.4648 -13.2825 -13.2825 -11.3188 -11.3188 -9.0503 -9.0503 -8.9873 -8.9873 -8.7480 -8.7480 -3.2755 -3.2755 -1.9757 -1.9757 -1.6145 -1.6145 -1.3332 -1.3332 -0.7016 -0.7016 -0.1162 -0.1162 0.4814 0.4814 0.9957 0.9957 2.1478 2.1478 2.4844 2.4844 2.5688 2.5688 2.6520 2.6520 2.6891 2.6891 3.1472 3.1472 3.5344 3.5344 4.4864 4.4864 4.8260 4.8260 5.1041 5.1041 12.0005 12.0005 12.0829 12.0829 12.4084 12.4084 12.9882 12.9882 13.3382 13.3382 k =-0.5000 0.3079 0.1307 ( 4326 PWs) bands (ev): -13.4671 -13.4671 -13.2811 -13.2811 -11.3355 -11.3355 -9.0542 -9.0542 -8.9481 -8.9481 -8.7459 -8.7459 -3.3232 -3.3232 -1.9311 -1.9311 -1.5657 -1.5657 -1.3261 -1.3261 -0.7212 -0.7212 -0.1769 -0.1769 0.4387 0.4387 0.9845 0.9845 2.1405 2.1405 2.4896 2.4896 2.5897 2.5897 2.6383 2.6383 2.7266 2.7266 3.1464 3.1464 3.5213 3.5213 4.4885 4.4885 4.8302 4.8302 5.1216 5.1216 12.0068 12.0068 12.0669 12.0669 12.4118 12.4118 12.9548 12.9548 13.4384 13.4384 k =-0.5000 0.3079 0.1143 ( 4318 PWs) bands (ev): -13.4691 -13.4691 -13.2798 -13.2798 -11.3503 -11.3503 -9.0576 -9.0576 -8.9127 -8.9127 -8.7441 -8.7441 -3.3665 -3.3665 -1.8879 -1.8879 -1.5194 -1.5194 -1.3199 -1.3199 -0.7384 -0.7384 -0.2349 -0.2349 0.3973 0.3973 0.9746 0.9746 2.1347 2.1347 2.4947 2.4947 2.6083 2.6083 2.6261 2.6261 2.7597 2.7597 3.1456 3.1456 3.5095 3.5095 4.4900 4.4900 4.8340 4.8340 5.1376 5.1376 12.0126 12.0126 12.0528 12.0528 12.4160 12.4160 12.9243 12.9243 13.5319 13.5319 k =-0.5000 0.3079 0.0980 ( 4322 PWs) bands (ev): -13.4709 -13.4709 -13.2787 -13.2787 -11.3632 -11.3632 -9.0606 -9.0606 -8.8813 -8.8813 -8.7425 -8.7425 -3.4049 -3.4049 -1.8468 -1.8468 -1.4765 -1.4765 -1.3146 -1.3146 -0.7532 -0.7532 -0.2890 -0.2890 0.3582 0.3582 0.9660 0.9660 2.1301 2.1301 2.4997 2.4997 2.6151 2.6151 2.6251 2.6251 2.7885 2.7885 3.1449 3.1449 3.4990 3.4990 4.4910 4.4910 4.8374 4.8374 5.1520 5.1520 12.0177 12.0177 12.0407 12.0407 12.4207 12.4207 12.8971 12.8971 13.5805 13.5805 k =-0.5000 0.3079 0.0817 ( 4322 PWs) bands (ev): -13.4725 -13.4725 -13.2778 -13.2778 -11.3741 -11.3741 -9.0632 -9.0632 -8.8543 -8.8543 -8.7411 -8.7411 -3.4380 -3.4380 -1.8089 -1.8089 -1.4379 -1.4379 -1.3101 -1.3101 -0.7655 -0.7655 -0.3382 -0.3382 0.3224 0.3224 0.9587 0.9587 2.1265 2.1265 2.5042 2.5042 2.6063 2.6063 2.6390 2.6390 2.8129 2.8129 3.1441 3.1441 3.4899 3.4899 4.4916 4.4916 4.8403 4.8403 5.1646 5.1646 12.0219 12.0219 12.0309 12.0309 12.4257 12.4257 12.8735 12.8735 13.5509 13.5509 k =-0.5000 0.3079 0.0653 ( 4330 PWs) bands (ev): -13.4737 -13.4737 -13.2771 -13.2771 -11.3830 -11.3830 -9.0653 -9.0653 -8.8318 -8.8318 -8.7400 -8.7400 -3.4655 -3.4655 -1.7753 -1.7753 -1.4045 -1.4045 -1.3064 -1.3064 -0.7756 -0.7756 -0.3812 -0.3812 0.2910 0.2910 0.9527 0.9527 2.1239 2.1239 2.5082 2.5082 2.5989 2.5989 2.6505 2.6505 2.8328 2.8328 3.1435 3.1435 3.4823 3.4823 4.4920 4.4920 4.8427 4.8427 5.1751 5.1751 12.0207 12.0207 12.0275 12.0275 12.4305 12.4305 12.8538 12.8538 13.5254 13.5254 k =-0.5000 0.3079 0.0490 ( 4322 PWs) bands (ev): -13.4747 -13.4747 -13.2765 -13.2765 -11.3899 -11.3899 -9.0670 -9.0670 -8.8141 -8.8141 -8.7392 -8.7392 -3.4873 -3.4873 -1.7473 -1.7473 -1.3773 -1.3773 -1.3035 -1.3035 -0.7834 -0.7834 -0.4165 -0.4165 0.2652 0.2652 0.9481 0.9481 2.1220 2.1220 2.5114 2.5114 2.5932 2.5932 2.6596 2.6596 2.8483 2.8483 3.1429 3.1429 3.4763 3.4763 4.4921 4.4921 4.8445 4.8445 5.1835 5.1835 12.0148 12.0148 12.0300 12.0300 12.4347 12.4347 12.8383 12.8383 13.5048 13.5048 k =-0.5000 0.3079 0.0327 ( 4322 PWs) bands (ev): -13.4754 -13.4754 -13.2761 -13.2761 -11.3949 -11.3949 -9.0682 -9.0682 -8.8014 -8.8014 -8.7386 -8.7386 -3.5029 -3.5029 -1.7261 -1.7261 -1.3571 -1.3571 -1.3014 -1.3014 -0.7889 -0.7889 -0.4430 -0.4430 0.2459 0.2459 0.9447 0.9447 2.1208 2.1208 2.5138 2.5138 2.5891 2.5891 2.6661 2.6661 2.8594 2.8594 3.1425 3.1425 3.4720 3.4720 4.4922 4.4922 4.8459 4.8459 5.1896 5.1896 12.0102 12.0102 12.0321 12.0321 12.4379 12.4379 12.8270 12.8270 13.4897 13.4897 k =-0.5000 0.3079 0.0163 ( 4316 PWs) bands (ev): -13.4758 -13.4758 -13.2758 -13.2758 -11.3978 -11.3978 -9.0689 -9.0689 -8.7937 -8.7937 -8.7382 -8.7382 -3.5124 -3.5124 -1.7129 -1.7129 -1.3447 -1.3447 -1.3002 -1.3002 -0.7922 -0.7922 -0.4595 -0.4595 0.2339 0.2339 0.9427 0.9427 2.1201 2.1201 2.5153 2.5153 2.5866 2.5866 2.6700 2.6700 2.8660 2.8660 3.1423 3.1423 3.4694 3.4694 4.4922 4.4922 4.8467 4.8467 5.1933 5.1933 12.0075 12.0075 12.0335 12.0335 12.4400 12.4400 12.8202 12.8202 13.4804 13.4804 k =-0.5000 0.3079 0.0000 ( 4318 PWs) bands (ev): -13.4760 -13.4760 -13.2758 -13.2758 -11.3988 -11.3988 -9.0691 -9.0691 -8.7911 -8.7911 -8.7381 -8.7381 -3.5156 -3.5156 -1.7084 -1.7084 -1.3405 -1.3405 -1.2997 -1.2997 -0.7933 -0.7933 -0.4650 -0.4650 0.2299 0.2299 0.9420 0.9420 2.1199 2.1199 2.5158 2.5158 2.5858 2.5858 2.6713 2.6713 2.8682 2.8682 3.1422 3.1422 3.4685 3.4685 4.4922 4.4922 4.8470 4.8470 5.1945 5.1945 12.0066 12.0066 12.0339 12.0339 12.4408 12.4408 12.8179 12.8179 13.4773 13.4773 k = 0.0000 0.0000 0.5390 ( 4364 PWs) bands (ev): -13.4925 -13.4925 -13.4925 -13.4925 -9.9938 -9.9938 -9.9938 -9.9938 -8.8643 -8.8643 -8.8643 -8.8643 -3.9000 -3.9000 -3.9000 -3.9000 -0.3914 -0.3914 -0.3914 -0.3914 -0.0948 -0.0948 -0.0948 -0.0948 0.6152 0.6152 0.6152 0.6152 2.0049 2.0049 2.0049 2.0049 2.5125 2.5125 2.5125 2.5125 3.6805 3.6805 3.6805 3.6805 4.1155 4.1155 4.1155 4.1155 5.1644 5.1644 5.1644 5.1644 11.3732 11.3732 11.3732 11.3732 12.0589 12.0589 12.0589 12.0589 12.8939 12.8939 k =-0.0139 0.0086 0.5390 ( 4364 PWs) bands (ev): -13.4923 -13.4923 -13.4922 -13.4922 -9.9946 -9.9946 -9.9946 -9.9946 -8.8644 -8.8644 -8.8643 -8.8643 -3.8985 -3.8985 -3.8982 -3.8982 -0.3959 -0.3959 -0.3955 -0.3955 -0.0915 -0.0915 -0.0910 -0.0910 0.6165 0.6165 0.6167 0.6167 2.0016 2.0016 2.0019 2.0019 2.5151 2.5151 2.5154 2.5154 3.6796 3.6796 3.6797 3.6797 4.1138 4.1138 4.1139 4.1139 5.1643 5.1643 5.1644 5.1644 11.3727 11.3727 11.3731 11.3731 12.0612 12.0612 12.0620 12.0620 12.8938 12.8938 k =-0.0278 0.0171 0.5390 ( 4360 PWs) bands (ev): -13.4916 -13.4916 -13.4915 -13.4915 -9.9970 -9.9970 -9.9969 -9.9969 -8.8644 -8.8644 -8.8641 -8.8641 -3.8937 -3.8937 -3.8931 -3.8931 -0.4085 -0.4085 -0.4077 -0.4077 -0.0816 -0.0816 -0.0807 -0.0807 0.6207 0.6207 0.6211 0.6211 1.9923 1.9923 1.9928 1.9928 2.5231 2.5231 2.5237 2.5237 3.6769 3.6769 3.6773 3.6773 4.1088 4.1088 4.1091 4.1091 5.1642 5.1642 5.1642 5.1642 11.3719 11.3719 11.3727 11.3727 12.0686 12.0686 12.0703 12.0703 12.8937 12.8938 k =-0.0417 0.0257 0.5390 ( 4354 PWs) bands (ev): -13.4905 -13.4905 -13.4904 -13.4904 -10.0010 -10.0010 -10.0009 -10.0009 -8.8643 -8.8643 -8.8639 -8.8639 -3.8856 -3.8856 -3.8848 -3.8848 -0.4279 -0.4279 -0.4267 -0.4267 -0.0664 -0.0664 -0.0652 -0.0652 0.6277 0.6277 0.6283 0.6283 1.9774 1.9774 1.9782 1.9782 2.5360 2.5360 2.5368 2.5368 3.6726 3.6726 3.6731 3.6731 4.1007 4.1007 4.1012 4.1012 5.1638 5.1638 5.1639 5.1639 11.3709 11.3709 11.3719 11.3719 12.0812 12.0812 12.0836 12.0836 12.8936 12.8937 k =-0.0556 0.0342 0.5390 ( 4338 PWs) bands (ev): -13.4889 -13.4889 -13.4888 -13.4888 -10.0065 -10.0065 -10.0063 -10.0063 -8.8642 -8.8642 -8.8637 -8.8637 -3.8742 -3.8742 -3.8732 -3.8732 -0.4525 -0.4525 -0.4512 -0.4512 -0.0472 -0.0472 -0.0457 -0.0457 0.6373 0.6373 0.6381 0.6381 1.9577 1.9577 1.9587 1.9587 2.5529 2.5529 2.5540 2.5540 3.6665 3.6665 3.6672 3.6672 4.0897 4.0897 4.0903 4.0903 5.1632 5.1632 5.1633 5.1633 11.3697 11.3697 11.3710 11.3710 12.0985 12.0985 12.1017 12.1017 12.8934 12.8935 k =-0.0694 0.0428 0.5390 ( 4338 PWs) bands (ev): -13.4869 -13.4869 -13.4868 -13.4868 -10.0134 -10.0134 -10.0132 -10.0132 -8.8641 -8.8641 -8.8635 -8.8635 -3.8596 -3.8596 -3.8584 -3.8584 -0.4813 -0.4813 -0.4798 -0.4798 -0.0252 -0.0252 -0.0235 -0.0235 0.6496 0.6496 0.6506 0.6506 1.9341 1.9341 1.9352 1.9352 2.5731 2.5731 2.5744 2.5744 3.6588 3.6588 3.6597 3.6597 4.0762 4.0762 4.0770 4.0770 5.1621 5.1621 5.1622 5.1622 11.3686 11.3686 11.3702 11.3702 12.1203 12.1203 12.1242 12.1242 12.8932 12.8932 k =-0.0833 0.0513 0.5390 ( 4338 PWs) bands (ev): -13.4844 -13.4844 -13.4843 -13.4843 -10.0218 -10.0218 -10.0215 -10.0215 -8.8640 -8.8640 -8.8633 -8.8633 -3.8419 -3.8419 -3.8404 -3.8404 -0.5134 -0.5134 -0.5117 -0.5117 -0.0012 -0.0012 0.0006 0.0006 0.6643 0.6643 0.6655 0.6655 1.9070 1.9070 1.9083 1.9083 2.5957 2.5957 2.5971 2.5971 3.6493 3.6493 3.6503 3.6503 4.0604 4.0604 4.0614 4.0614 5.1604 5.1604 5.1605 5.1605 11.3678 11.3678 11.3696 11.3696 12.1461 12.1461 12.1507 12.1507 12.8929 12.8929 k =-0.0972 0.0599 0.5390 ( 4338 PWs) bands (ev): -13.4816 -13.4816 -13.4814 -13.4814 -10.0314 -10.0314 -10.0312 -10.0312 -8.8639 -8.8639 -8.8631 -8.8631 -3.8210 -3.8210 -3.8193 -3.8193 -0.5480 -0.5480 -0.5463 -0.5463 0.0243 0.0243 0.0261 0.0261 0.6814 0.6814 0.6827 0.6827 1.8773 1.8773 1.8787 1.8787 2.6200 2.6200 2.6216 2.6216 3.6381 3.6381 3.6393 3.6393 4.0429 4.0429 4.0441 4.0441 5.1579 5.1579 5.1580 5.1580 11.3676 11.3676 11.3696 11.3696 12.1755 12.1755 12.1807 12.1807 12.8924 12.8926 k =-0.1111 0.0684 0.5390 ( 4338 PWs) bands (ev): -13.4784 -13.4784 -13.4782 -13.4782 -10.0423 -10.0423 -10.0420 -10.0420 -8.8638 -8.8638 -8.8629 -8.8629 -3.7970 -3.7970 -3.7951 -3.7951 -0.5848 -0.5848 -0.5830 -0.5830 0.0508 0.0508 0.0527 0.0527 0.7007 0.7007 0.7021 0.7021 1.8454 1.8454 1.8469 1.8469 2.6455 2.6455 2.6472 2.6472 3.6252 3.6252 3.6266 3.6266 4.0240 4.0240 4.0254 4.0254 5.1544 5.1544 5.1545 5.1545 11.3681 11.3681 11.3702 11.3702 12.2079 12.2079 12.2138 12.2138 12.8919 12.8919 k =-0.1250 0.0770 0.5390 ( 4332 PWs) bands (ev): -13.4747 -13.4747 -13.4746 -13.4746 -10.0544 -10.0544 -10.0541 -10.0541 -8.8637 -8.8637 -8.8627 -8.8627 -3.7701 -3.7701 -3.7680 -3.7680 -0.6235 -0.6235 -0.6216 -0.6216 0.0781 0.0781 0.0801 0.0801 0.7221 0.7221 0.7236 0.7236 1.8117 1.8117 1.8133 1.8133 2.6714 2.6714 2.6733 2.6733 3.6107 3.6107 3.6122 3.6122 4.0044 4.0044 4.0060 4.0060 5.1497 5.1497 5.1499 5.1499 11.3694 11.3694 11.3717 11.3717 12.2430 12.2430 12.2494 12.2494 12.8913 12.8913 k =-0.1389 0.0855 0.5390 ( 4336 PWs) bands (ev): -13.4708 -13.4708 -13.4706 -13.4706 -10.0674 -10.0674 -10.0671 -10.0671 -8.8637 -8.8637 -8.8626 -8.8626 -3.7402 -3.7402 -3.7379 -3.7379 -0.6638 -0.6638 -0.6618 -0.6618 0.1061 0.1061 0.1081 0.1081 0.7453 0.7453 0.7470 0.7470 1.7766 1.7766 1.7783 1.7783 2.6974 2.6974 2.6994 2.6994 3.5945 3.5945 3.5962 3.5962 3.9844 3.9844 3.9862 3.9862 5.1438 5.1438 5.1441 5.1441 11.3717 11.3717 11.3741 11.3741 12.2801 12.2801 12.2870 12.2870 12.8907 12.8907 k =-0.1528 0.0941 0.5390 ( 4336 PWs) bands (ev): -13.4665 -13.4665 -13.4663 -13.4663 -10.0814 -10.0814 -10.0811 -10.0811 -8.8637 -8.8637 -8.8626 -8.8626 -3.7075 -3.7075 -3.7050 -3.7050 -0.7056 -0.7056 -0.7036 -0.7036 0.1346 0.1346 0.1366 0.1366 0.7704 0.7704 0.7721 0.7721 1.7403 1.7403 1.7421 1.7421 2.7230 2.7230 2.7251 2.7251 3.5768 3.5768 3.5786 3.5786 3.9645 3.9645 3.9665 3.9665 5.1365 5.1365 5.1369 5.1369 11.3751 11.3751 11.3775 11.3775 12.3187 12.3187 12.3262 12.3262 12.8903 12.8903 k =-0.1667 0.1026 0.5390 ( 4332 PWs) bands (ev): -13.4619 -13.4619 -13.4617 -13.4617 -10.0962 -10.0962 -10.0958 -10.0958 -8.8638 -8.8638 -8.8627 -8.8627 -3.6721 -3.6721 -3.6694 -3.6694 -0.7487 -0.7487 -0.7466 -0.7466 0.1635 0.1635 0.1655 0.1655 0.7971 0.7971 0.7990 0.7990 1.7032 1.7032 1.7051 1.7051 2.7477 2.7477 2.7499 2.7499 3.5576 3.5576 3.5595 3.5595 3.9453 3.9453 3.9474 3.9474 5.1277 5.1277 5.1282 5.1282 11.3794 11.3794 11.3819 11.3819 12.3582 12.3582 12.3662 12.3662 12.8904 12.8904 k =-0.1806 0.1112 0.5390 ( 4332 PWs) bands (ev): -13.4571 -13.4571 -13.4569 -13.4569 -10.1116 -10.1116 -10.1112 -10.1112 -8.8640 -8.8640 -8.8628 -8.8628 -3.6340 -3.6340 -3.6311 -3.6311 -0.7931 -0.7931 -0.7910 -0.7910 0.1926 0.1926 0.1946 0.1946 0.8253 0.8253 0.8273 0.8273 1.6656 1.6656 1.6676 1.6676 2.7710 2.7710 2.7733 2.7733 3.5371 3.5371 3.5391 3.5391 3.9271 3.9271 3.9294 3.9294 5.1174 5.1174 5.1181 5.1181 11.3848 11.3848 11.3873 11.3873 12.3979 12.3979 12.4063 12.4063 12.8913 12.8913 k =-0.1944 0.1197 0.5390 ( 4328 PWs) bands (ev): -13.4520 -13.4520 -13.4518 -13.4518 -10.1276 -10.1276 -10.1272 -10.1272 -8.8643 -8.8643 -8.8631 -8.8631 -3.5934 -3.5934 -3.5904 -3.5904 -0.8386 -0.8386 -0.8365 -0.8365 0.2219 0.2219 0.2239 0.2239 0.8548 0.8548 0.8570 0.8570 1.6277 1.6277 1.6298 1.6298 2.7924 2.7924 2.7949 2.7949 3.5156 3.5156 3.5176 3.5176 3.9104 3.9104 3.9129 3.9129 5.1057 5.1057 5.1064 5.1064 11.3912 11.3912 11.3937 11.3937 12.4370 12.4370 12.4458 12.4458 12.8934 12.8934 k =-0.2083 0.1283 0.5390 ( 4332 PWs) bands (ev): -13.4468 -13.4468 -13.4465 -13.4465 -10.1440 -10.1440 -10.1436 -10.1436 -8.8646 -8.8646 -8.8634 -8.8634 -3.5503 -3.5503 -3.5472 -3.5472 -0.8853 -0.8853 -0.8831 -0.8831 0.2512 0.2512 0.2531 0.2531 0.8856 0.8856 0.8878 0.8878 1.5898 1.5898 1.5920 1.5920 2.8114 2.8114 2.8140 2.8140 3.4931 3.4931 3.4952 3.4952 3.8956 3.8956 3.8981 3.8981 5.0924 5.0924 5.0933 5.0933 11.3986 11.3986 11.4011 11.4011 12.4745 12.4745 12.4838 12.4838 12.8975 12.8975 k =-0.2222 0.1368 0.5390 ( 4332 PWs) bands (ev): -13.4414 -13.4414 -13.4411 -13.4411 -10.1607 -10.1607 -10.1603 -10.1603 -8.8651 -8.8651 -8.8638 -8.8638 -3.5050 -3.5050 -3.5017 -3.5017 -0.9331 -0.9331 -0.9308 -0.9308 0.2803 0.2803 0.2823 0.2823 0.9172 0.9172 0.9196 0.9196 1.5524 1.5524 1.5547 1.5547 2.8276 2.8276 2.8303 2.8303 3.4701 3.4701 3.4723 3.4723 3.8830 3.8830 3.8856 3.8856 5.0777 5.0777 5.0787 5.0787 11.4068 11.4068 11.4093 11.4093 12.5093 12.5093 12.5190 12.5190 12.9044 12.9045 k =-0.2361 0.1454 0.5390 ( 4328 PWs) bands (ev): -13.4358 -13.4358 -13.4355 -13.4355 -10.1776 -10.1776 -10.1772 -10.1772 -8.8656 -8.8656 -8.8644 -8.8644 -3.4576 -3.4576 -3.4542 -3.4542 -0.9818 -0.9818 -0.9795 -0.9795 0.3092 0.3092 0.3112 0.3112 0.9494 0.9494 0.9520 0.9520 1.5158 1.5158 1.5184 1.5184 2.8403 2.8403 2.8431 2.8431 3.4468 3.4468 3.4490 3.4490 3.8730 3.8730 3.8756 3.8756 5.0616 5.0616 5.0627 5.0627 11.4158 11.4158 11.4183 11.4183 12.5405 12.5405 12.5505 12.5505 12.9151 12.9151 k =-0.2500 0.1540 0.5390 ( 4332 PWs) bands (ev): -13.4302 -13.4302 -13.4299 -13.4299 -10.1945 -10.1945 -10.1941 -10.1941 -8.8662 -8.8662 -8.8650 -8.8650 -3.4081 -3.4081 -3.4046 -3.4046 -1.0316 -1.0316 -1.0292 -1.0292 0.3378 0.3378 0.3398 0.3398 0.9817 0.9817 0.9845 0.9845 1.4809 1.4809 1.4836 1.4836 2.8491 2.8491 2.8520 2.8520 3.4235 3.4235 3.4259 3.4259 3.8657 3.8657 3.8684 3.8684 5.0443 5.0443 5.0455 5.0455 11.4255 11.4255 11.4279 11.4279 12.5669 12.5669 12.5771 12.5771 12.9302 12.9302 k =-0.2639 0.1625 0.5390 ( 4328 PWs) bands (ev): -13.4245 -13.4245 -13.4243 -13.4243 -10.2113 -10.2113 -10.2109 -10.2109 -8.8669 -8.8669 -8.8657 -8.8657 -3.3568 -3.3568 -3.3532 -3.3532 -1.0822 -1.0822 -1.0798 -1.0798 0.3659 0.3659 0.3679 0.3679 1.0131 1.0131 1.0161 1.0161 1.4486 1.4486 1.4514 1.4514 2.8535 2.8535 2.8565 2.8565 3.4007 3.4007 3.4032 3.4032 3.8615 3.8615 3.8641 3.8641 5.0258 5.0258 5.0271 5.0271 11.4357 11.4357 11.4381 11.4381 12.5880 12.5880 12.5983 12.5983 12.9503 12.9503 k =-0.2778 0.1711 0.5390 ( 4336 PWs) bands (ev): -13.4189 -13.4189 -13.4186 -13.4186 -10.2279 -10.2279 -10.2275 -10.2275 -8.8676 -8.8676 -8.8665 -8.8665 -3.3038 -3.3038 -3.3001 -3.3001 -1.1338 -1.1338 -1.1313 -1.1313 0.3934 0.3934 0.3954 0.3954 1.0424 1.0424 1.0457 1.0457 1.4201 1.4201 1.4232 1.4232 2.8532 2.8532 2.8562 2.8562 3.3787 3.3787 3.3812 3.3812 3.8603 3.8603 3.8629 3.8629 5.0063 5.0063 5.0077 5.0077 11.4463 11.4463 11.4487 11.4487 12.6038 12.6038 12.6141 12.6141 12.9750 12.9750 k =-0.2917 0.1796 0.5390 ( 4340 PWs) bands (ev): -13.4133 -13.4133 -13.4130 -13.4130 -10.2441 -10.2441 -10.2438 -10.2438 -8.8684 -8.8684 -8.8673 -8.8673 -3.2493 -3.2493 -3.2455 -3.2455 -1.1861 -1.1861 -1.1836 -1.1836 0.4202 0.4202 0.4222 0.4222 1.0675 1.0675 1.0711 1.0711 1.3978 1.3978 1.4011 1.4011 2.8480 2.8480 2.8510 2.8510 3.3577 3.3577 3.3604 3.3604 3.8622 3.8622 3.8647 3.8647 4.9859 4.9859 4.9874 4.9874 11.4573 11.4573 11.4596 11.4596 12.6148 12.6148 12.6249 12.6249 13.0035 13.0035 k =-0.3056 0.1882 0.5390 ( 4340 PWs) bands (ev): -13.4078 -13.4078 -13.4075 -13.4075 -10.2599 -10.2599 -10.2596 -10.2596 -8.8693 -8.8693 -8.8682 -8.8682 -3.1934 -3.1934 -3.1897 -3.1897 -1.2392 -1.2392 -1.2366 -1.2366 0.4463 0.4463 0.4483 0.4483 1.0856 1.0856 1.0895 1.0895 1.3845 1.3845 1.3879 1.3879 2.8378 2.8378 2.8408 2.8408 3.3381 3.3381 3.3408 3.3408 3.8671 3.8671 3.8695 3.8695 4.9649 4.9649 4.9665 4.9665 11.4684 11.4684 11.4707 11.4707 12.6218 12.6218 12.6316 12.6316 13.0346 13.0346 k =-0.3194 0.1967 0.5390 ( 4340 PWs) bands (ev): -13.4024 -13.4024 -13.4021 -13.4021 -10.2752 -10.2752 -10.2749 -10.2749 -8.8701 -8.8701 -8.8691 -8.8691 -3.1365 -3.1365 -3.1327 -3.1327 -1.2929 -1.2929 -1.2903 -1.2903 0.4715 0.4715 0.4736 0.4736 1.0940 1.0940 1.0979 1.0979 1.3831 1.3831 1.3864 1.3864 2.8228 2.8228 2.8257 2.8257 3.3199 3.3199 3.3226 3.3226 3.8747 3.8747 3.8771 3.8771 4.9434 4.9434 4.9450 4.9450 11.4797 11.4797 11.4818 11.4818 12.6259 12.6259 12.6353 12.6353 13.0667 13.0667 k =-0.3333 0.2053 0.5390 ( 4324 PWs) bands (ev): -13.3972 -13.3972 -13.3970 -13.3970 -10.2898 -10.2898 -10.2895 -10.2895 -8.8710 -8.8710 -8.8701 -8.8701 -3.0787 -3.0787 -3.0749 -3.0749 -1.3472 -1.3472 -1.3445 -1.3445 0.4959 0.4959 0.4980 0.4980 1.0915 1.0915 1.0953 1.0953 1.3947 1.3947 1.3977 1.3977 2.8033 2.8033 2.8060 2.8060 3.3032 3.3032 3.3059 3.3059 3.8849 3.8849 3.8872 3.8872 4.9216 4.9216 4.9232 4.9232 11.4908 11.4908 11.4929 11.4929 12.6278 12.6278 12.6368 12.6368 13.0984 13.0984 k =-0.3472 0.2138 0.5390 ( 4326 PWs) bands (ev): -13.3922 -13.3922 -13.3920 -13.3920 -10.3036 -10.3036 -10.3033 -10.3033 -8.8719 -8.8719 -8.8710 -8.8710 -3.0203 -3.0203 -3.0166 -3.0166 -1.4018 -1.4018 -1.3990 -1.3990 0.5194 0.5194 0.5215 0.5215 1.0798 1.0798 1.0833 1.0833 1.4174 1.4174 1.4200 1.4200 2.7798 2.7798 2.7824 2.7824 3.2881 3.2881 3.2907 3.2907 3.8971 3.8971 3.8993 3.8993 4.8997 4.8997 4.9013 4.9013 11.5017 11.5017 11.5037 11.5037 12.6283 12.6283 12.6368 12.6368 13.1284 13.1284 k =-0.3611 0.2224 0.5390 ( 4334 PWs) bands (ev): -13.3875 -13.3875 -13.3873 -13.3873 -10.3166 -10.3166 -10.3163 -10.3163 -8.8728 -8.8728 -8.8719 -8.8719 -2.9617 -2.9617 -2.9580 -2.9580 -1.4565 -1.4565 -1.4538 -1.4538 0.5420 0.5420 0.5440 0.5440 1.0618 1.0618 1.0650 1.0650 1.4479 1.4479 1.4501 1.4501 2.7529 2.7529 2.7553 2.7553 3.2744 3.2744 3.2769 3.2769 3.9110 3.9110 3.9131 3.9131 4.8780 4.8780 4.8797 4.8797 11.5123 11.5123 11.5142 11.5142 12.6279 12.6279 12.6359 12.6359 13.1556 13.1556 k =-0.3750 0.2309 0.5390 ( 4338 PWs) bands (ev): -13.3831 -13.3831 -13.3829 -13.3829 -10.3286 -10.3286 -10.3284 -10.3284 -8.8736 -8.8736 -8.8728 -8.8728 -2.9033 -2.9033 -2.8996 -2.8996 -1.5111 -1.5111 -1.5084 -1.5084 0.5636 0.5636 0.5657 0.5657 1.0402 1.0402 1.0432 1.0432 1.4834 1.4834 1.4853 1.4853 2.7234 2.7234 2.7257 2.7257 3.2622 3.2622 3.2645 3.2645 3.9261 3.9261 3.9281 3.9281 4.8568 4.8568 4.8584 4.8584 11.5224 11.5224 11.5242 11.5242 12.6271 12.6271 12.6346 12.6346 13.1790 13.1790 k =-0.3889 0.2395 0.5390 ( 4346 PWs) bands (ev): -13.3791 -13.3791 -13.3789 -13.3789 -10.3396 -10.3396 -10.3394 -10.3394 -8.8744 -8.8744 -8.8737 -8.8737 -2.8454 -2.8454 -2.8418 -2.8418 -1.5652 -1.5652 -1.5625 -1.5625 0.5842 0.5842 0.5863 0.5863 1.0170 1.0170 1.0198 1.0198 1.5213 1.5213 1.5230 1.5230 2.6922 2.6922 2.6942 2.6942 3.2513 3.2513 3.2535 3.2535 3.9417 3.9417 3.9436 3.9436 4.8363 4.8363 4.8379 4.8379 11.5319 11.5319 11.5336 11.5336 12.6262 12.6262 12.6331 12.6331 13.1980 13.1980 k =-0.4028 0.2480 0.5390 ( 4350 PWs) bands (ev): -13.3754 -13.3754 -13.3753 -13.3753 -10.3495 -10.3495 -10.3493 -10.3493 -8.8751 -8.8751 -8.8745 -8.8745 -2.7888 -2.7888 -2.7853 -2.7853 -1.6183 -1.6183 -1.6156 -1.6156 0.6038 0.6038 0.6059 0.6059 0.9936 0.9936 0.9962 0.9962 1.5601 1.5601 1.5615 1.5615 2.6600 2.6600 2.6618 2.6618 3.2418 3.2418 3.2437 3.2437 3.9575 3.9575 3.9592 3.9592 4.8170 4.8170 4.8185 4.8185 11.5407 11.5407 11.5422 11.5422 12.6254 12.6254 12.6315 12.6315 13.2125 13.2125 k =-0.4167 0.2566 0.5390 ( 4356 PWs) bands (ev): -13.3722 -13.3722 -13.3720 -13.3720 -10.3582 -10.3582 -10.3580 -10.3580 -8.8757 -8.8757 -8.8752 -8.8752 -2.7342 -2.7342 -2.7309 -2.7309 -1.6695 -1.6695 -1.6669 -1.6669 0.6223 0.6223 0.6243 0.6243 0.9707 0.9707 0.9732 0.9732 1.5982 1.5982 1.5995 1.5995 2.6280 2.6280 2.6296 2.6296 3.2335 3.2335 3.2352 3.2352 3.9727 3.9727 3.9743 3.9743 4.7991 4.7991 4.8004 4.8004 11.5486 11.5486 11.5500 11.5500 12.6247 12.6247 12.6301 12.6301 13.2227 13.2227 k =-0.4306 0.2651 0.5390 ( 4356 PWs) bands (ev): -13.3694 -13.3694 -13.3692 -13.3692 -10.3656 -10.3656 -10.3655 -10.3655 -8.8763 -8.8763 -8.8759 -8.8759 -2.6826 -2.6826 -2.6796 -2.6796 -1.7180 -1.7180 -1.7156 -1.7156 0.6395 0.6395 0.6414 0.6414 0.9493 0.9493 0.9515 0.9515 1.6342 1.6342 1.6353 1.6353 2.5973 2.5973 2.5987 2.5987 3.2265 3.2265 3.2279 3.2279 3.9869 3.9869 3.9882 3.9882 4.7830 4.7830 4.7842 4.7842 11.5556 11.5556 11.5567 11.5567 12.6242 12.6242 12.6289 12.6289 13.2292 13.2292 k =-0.4444 0.2737 0.5390 ( 4364 PWs) bands (ev): -13.3670 -13.3670 -13.3669 -13.3669 -10.3718 -10.3718 -10.3717 -10.3717 -8.8768 -8.8768 -8.8764 -8.8764 -2.6356 -2.6356 -2.6329 -2.6329 -1.7624 -1.7624 -1.7602 -1.7602 0.6551 0.6551 0.6568 0.6568 0.9299 0.9299 0.9319 0.9319 1.6668 1.6668 1.6678 1.6678 2.5692 2.5692 2.5703 2.5703 3.2208 3.2208 3.2220 3.2220 3.9995 3.9995 4.0006 4.0006 4.7692 4.7692 4.7702 4.7702 11.5615 11.5615 11.5624 11.5624 12.6240 12.6240 12.6278 12.6278 13.2329 13.2329 k =-0.4583 0.2822 0.5390 ( 4360 PWs) bands (ev): -13.3652 -13.3652 -13.3651 -13.3651 -10.3767 -10.3767 -10.3766 -10.3766 -8.8771 -8.8771 -8.8768 -8.8768 -2.5949 -2.5949 -2.5927 -2.5927 -1.8007 -1.8007 -1.7989 -1.7989 0.6686 0.6686 0.6700 0.6700 0.9133 0.9133 0.9150 0.9150 1.6945 1.6945 1.6953 1.6953 2.5451 2.5451 2.5460 2.5460 3.2164 3.2164 3.2173 3.2173 4.0099 4.0099 4.0108 4.0108 4.7580 4.7580 4.7587 4.7587 11.5662 11.5662 11.5669 11.5669 12.6240 12.6240 12.6270 12.6270 13.2347 13.2347 k =-0.4722 0.2908 0.5390 ( 4368 PWs) bands (ev): -13.3639 -13.3639 -13.3638 -13.3638 -10.3801 -10.3801 -10.3801 -10.3801 -8.8774 -8.8774 -8.8772 -8.8772 -2.5628 -2.5628 -2.5612 -2.5612 -1.8309 -1.8309 -1.8295 -1.8295 0.6793 0.6793 0.6804 0.6804 0.9005 0.9005 0.9017 0.9017 1.7158 1.7158 1.7163 1.7163 2.5265 2.5265 2.5271 2.5271 3.2133 3.2133 3.2139 3.2139 4.0178 4.0178 4.0184 4.0184 4.7497 4.7497 4.7502 4.7502 11.5696 11.5696 11.5701 11.5701 12.6242 12.6242 12.6262 12.6262 13.2355 13.2355 k =-0.4861 0.2994 0.5390 ( 4376 PWs) bands (ev): -13.3631 -13.3631 -13.3630 -13.3630 -10.3822 -10.3822 -10.3822 -10.3822 -8.8775 -8.8775 -8.8774 -8.8774 -2.5420 -2.5420 -2.5411 -2.5411 -1.8502 -1.8502 -1.8495 -1.8495 0.6865 0.6865 0.6871 0.6871 0.8923 0.8923 0.8930 0.8930 1.7292 1.7292 1.7295 1.7295 2.5147 2.5147 2.5151 2.5151 3.2115 3.2115 3.2118 3.2118 4.0228 4.0228 4.0231 4.0231 4.7446 4.7446 4.7449 4.7449 11.5717 11.5717 11.5720 11.5720 12.6246 12.6246 12.6256 12.6256 13.2360 13.2360 k =-0.5000 0.3079 0.5390 ( 4384 PWs) bands (ev): -13.3628 -13.3628 -13.3628 -13.3628 -10.3829 -10.3829 -10.3829 -10.3829 -8.8775 -8.8775 -8.8775 -8.8775 -2.5344 -2.5344 -2.5344 -2.5344 -1.8566 -1.8566 -1.8566 -1.8566 0.6892 0.6892 0.6892 0.6892 0.8897 0.8897 0.8897 0.8897 1.7339 1.7339 1.7339 1.7339 2.5108 2.5108 2.5108 2.5108 3.2110 3.2110 3.2110 3.2110 4.0245 4.0245 4.0245 4.0245 4.7430 4.7430 4.7430 4.7430 11.5725 11.5725 11.5725 11.5725 12.6250 12.6250 12.6250 12.6250 13.2365 13.2365 Writing output data file Si2N2O.save init_run : 4.16s CPU 13.55s WALL ( 1 calls) electrons : 1232.03s CPU 1242.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1232.01s CPU 1241.94s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.16s CPU 0.62s WALL ( 1 calls) newd : 0.45s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.23s WALL ( 374 calls) cegterg : 1179.15s CPU 1186.13s WALL ( 1239 calls) Called by sum_band: Called by *egterg: h_psi : 417.74s CPU 430.90s WALL ( 23280 calls) s_psi : 67.33s CPU 67.87s WALL ( 23280 calls) g_psi : 1.00s CPU 1.06s WALL ( 21667 calls) cdiaghg : 536.64s CPU 531.68s WALL ( 22041 calls) cegterg:over : 87.80s CPU 83.97s WALL ( 21667 calls) cegterg:upda : 18.94s CPU 24.94s WALL ( 21667 calls) cegterg:last : 15.69s CPU 16.62s WALL ( 2737 calls) Called by h_psi: h_psi:vloc : 279.05s CPU 290.07s WALL ( 23280 calls) h_psi:vnl : 138.28s CPU 139.67s WALL ( 23280 calls) add_vuspsi : 50.00s CPU 56.78s WALL ( 23280 calls) General routines calbec : 88.19s CPU 82.70s WALL ( 23280 calls) fft : 0.32s CPU 1.16s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 259.99s CPU 268.60s WALL ( 1816256 calls) interpolate : 0.05s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 2.13s WALL ( 748 calls) Parallel routines fft_scatter : 164.59s CPU 168.68s WALL ( 1816279 calls) PWSCF : 21m37.57s CPU 23m 5.93s WALL This run was terminated on: 6:25:35 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=