Program PWSCF v.5.1.1 starts on 22Nov2015 at 5:31:18 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 1620 709 111 Max 47 28 8 1625 723 116 Sum 2239 1299 379 77863 34417 5435 bravais-lattice index = 14 lattice parameter (alat) = 9.8262 a.u. unit-cell volume = 789.5653 (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)= 9.826229 celldm(2)= 1.000000 celldm(3)= 0.929840 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446083 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446083 0.894992 0.000000 ) a(3) = ( 0.000000 0.000000 0.929840 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.498421 -0.000000 ) b(2) = ( 0.000000 1.117329 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075453 ) 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 ) ( 0.4649202 ) 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) = ( 0.0086440 0.0139666 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172881 0.0279332 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259321 0.0418998 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345762 0.0558664 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432202 0.0698331 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518643 0.0837997 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605083 0.0977663 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691523 0.1117329 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777964 0.1256995 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864404 0.1396661 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950845 0.1536327 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037285 0.1675993 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123725 0.1815659 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210166 0.1955325 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296606 0.2094992 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1383047 0.2234658 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469487 0.2374324 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555928 0.2513990 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642368 0.2653656 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728808 0.2793322 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815249 0.2932988 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901689 0.3072654 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1988129 0.3212320 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074570 0.3351986 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2161010 0.3491653 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2247451 0.3631319 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333891 0.3770985 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420332 0.3910651 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506772 0.4050317 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2593212 0.4189983 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679653 0.4329649 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2766093 0.4469315 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852534 0.4608981 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2938974 0.4748648 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025414 0.4888314 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111855 0.5027980 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3198295 0.5167646 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284736 0.5307312 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3371176 0.5446978 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3457617 0.5586644 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457617 0.5586644 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3292968 0.5586644 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3128320 0.5586644 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2963671 0.5586644 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2799023 0.5586644 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634375 0.5586644 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469726 0.5586644 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305078 0.5586644 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140429 0.5586644 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975781 0.5586644 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1811133 0.5586644 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646484 0.5586644 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481836 0.5586644 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317187 0.5586644 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152539 0.5586644 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987891 0.5586644 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823242 0.5586644 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658594 0.5586644 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493945 0.5586644 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329297 0.5586644 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164648 0.5586644 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5586644 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5586644 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5586644 0.0162948), wk = 0.0026738 k( 66) = ( 0.0000000 0.5586644 0.0325895), wk = 0.0026738 k( 67) = ( 0.0000000 0.5586644 0.0488842), wk = 0.0026738 k( 68) = ( 0.0000000 0.5586644 0.0651790), wk = 0.0026738 k( 69) = ( 0.0000000 0.5586644 0.0814737), wk = 0.0026738 k( 70) = ( 0.0000000 0.5586644 0.0977685), wk = 0.0026738 k( 71) = ( 0.0000000 0.5586644 0.1140632), wk = 0.0026738 k( 72) = ( 0.0000000 0.5586644 0.1303580), wk = 0.0026738 k( 73) = ( 0.0000000 0.5586644 0.1466527), wk = 0.0026738 k( 74) = ( 0.0000000 0.5586644 0.1629475), wk = 0.0026738 k( 75) = ( 0.0000000 0.5586644 0.1792422), wk = 0.0026738 k( 76) = ( 0.0000000 0.5586644 0.1955370), wk = 0.0026738 k( 77) = ( 0.0000000 0.5586644 0.2118317), wk = 0.0026738 k( 78) = ( 0.0000000 0.5586644 0.2281265), wk = 0.0026738 k( 79) = ( 0.0000000 0.5586644 0.2444212), wk = 0.0026738 k( 80) = ( 0.0000000 0.5586644 0.2607160), wk = 0.0026738 k( 81) = ( 0.0000000 0.5586644 0.2770107), wk = 0.0026738 k( 82) = ( 0.0000000 0.5586644 0.2933054), wk = 0.0026738 k( 83) = ( 0.0000000 0.5586644 0.3096002), wk = 0.0026738 k( 84) = ( 0.0000000 0.5586644 0.3258949), wk = 0.0026738 k( 85) = ( 0.0000000 0.5586644 0.3421897), wk = 0.0026738 k( 86) = ( 0.0000000 0.5586644 0.3584844), wk = 0.0026738 k( 87) = ( 0.0000000 0.5586644 0.3747792), wk = 0.0026738 k( 88) = ( 0.0000000 0.5586644 0.3910739), wk = 0.0026738 k( 89) = ( 0.0000000 0.5586644 0.4073687), wk = 0.0026738 k( 90) = ( 0.0000000 0.5586644 0.4236634), wk = 0.0026738 k( 91) = ( 0.0000000 0.5586644 0.4399582), wk = 0.0026738 k( 92) = ( 0.0000000 0.5586644 0.4562529), wk = 0.0026738 k( 93) = ( 0.0000000 0.5586644 0.4725477), wk = 0.0026738 k( 94) = ( 0.0000000 0.5586644 0.4888424), wk = 0.0026738 k( 95) = ( 0.0000000 0.5586644 0.5051372), wk = 0.0026738 k( 96) = ( 0.0000000 0.5586644 0.5214319), wk = 0.0026738 k( 97) = ( 0.0000000 0.5586644 0.5377267), wk = 0.0026738 k( 98) = ( 0.0000000 0.5586644 0.5377267), wk = 0.0026738 k( 99) = ( 0.0164648 0.5586644 0.5377267), wk = 0.0026738 k( 100) = ( 0.0329297 0.5586644 0.5377267), wk = 0.0026738 k( 101) = ( 0.0493945 0.5586644 0.5377267), wk = 0.0026738 k( 102) = ( 0.0658594 0.5586644 0.5377267), wk = 0.0026738 k( 103) = ( 0.0823242 0.5586644 0.5377267), wk = 0.0026738 k( 104) = ( 0.0987891 0.5586644 0.5377267), wk = 0.0026738 k( 105) = ( 0.1152539 0.5586644 0.5377267), wk = 0.0026738 k( 106) = ( 0.1317187 0.5586644 0.5377267), wk = 0.0026738 k( 107) = ( 0.1481836 0.5586644 0.5377267), wk = 0.0026738 k( 108) = ( 0.1646484 0.5586644 0.5377267), wk = 0.0026738 k( 109) = ( 0.1811133 0.5586644 0.5377267), wk = 0.0026738 k( 110) = ( 0.1975781 0.5586644 0.5377267), wk = 0.0026738 k( 111) = ( 0.2140429 0.5586644 0.5377267), wk = 0.0026738 k( 112) = ( 0.2305078 0.5586644 0.5377267), wk = 0.0026738 k( 113) = ( 0.2469726 0.5586644 0.5377267), wk = 0.0026738 k( 114) = ( 0.2634375 0.5586644 0.5377267), wk = 0.0026738 k( 115) = ( 0.2799023 0.5586644 0.5377267), wk = 0.0026738 k( 116) = ( 0.2963671 0.5586644 0.5377267), wk = 0.0026738 k( 117) = ( 0.3128320 0.5586644 0.5377267), wk = 0.0026738 k( 118) = ( 0.3292968 0.5586644 0.5377267), wk = 0.0026738 k( 119) = ( 0.3457617 0.5586644 0.5377267), wk = 0.0026738 k( 120) = ( 0.3457617 0.5586644 0.5377267), wk = 0.0026738 k( 121) = ( 0.3371176 0.5446978 0.5377267), wk = 0.0026738 k( 122) = ( 0.3284736 0.5307312 0.5377267), wk = 0.0026738 k( 123) = ( 0.3198295 0.5167646 0.5377267), wk = 0.0026738 k( 124) = ( 0.3111855 0.5027980 0.5377267), wk = 0.0026738 k( 125) = ( 0.3025414 0.4888314 0.5377267), wk = 0.0026738 k( 126) = ( 0.2938974 0.4748648 0.5377267), wk = 0.0026738 k( 127) = ( 0.2852534 0.4608981 0.5377267), wk = 0.0026738 k( 128) = ( 0.2766093 0.4469315 0.5377267), wk = 0.0026738 k( 129) = ( 0.2679653 0.4329649 0.5377267), wk = 0.0026738 k( 130) = ( 0.2593212 0.4189983 0.5377267), wk = 0.0026738 k( 131) = ( 0.2506772 0.4050317 0.5377267), wk = 0.0026738 k( 132) = ( 0.2420332 0.3910651 0.5377267), wk = 0.0026738 k( 133) = ( 0.2333891 0.3770985 0.5377267), wk = 0.0026738 k( 134) = ( 0.2247451 0.3631319 0.5377267), wk = 0.0026738 k( 135) = ( 0.2161010 0.3491653 0.5377267), wk = 0.0026738 k( 136) = ( 0.2074570 0.3351986 0.5377267), wk = 0.0026738 k( 137) = ( 0.1988129 0.3212320 0.5377267), wk = 0.0026738 k( 138) = ( 0.1901689 0.3072654 0.5377267), wk = 0.0026738 k( 139) = ( 0.1815249 0.2932988 0.5377267), wk = 0.0026738 k( 140) = ( 0.1728808 0.2793322 0.5377267), wk = 0.0026738 k( 141) = ( 0.1642368 0.2653656 0.5377267), wk = 0.0026738 k( 142) = ( 0.1555928 0.2513990 0.5377267), wk = 0.0026738 k( 143) = ( 0.1469487 0.2374324 0.5377267), wk = 0.0026738 k( 144) = ( 0.1383047 0.2234658 0.5377267), wk = 0.0026738 k( 145) = ( 0.1296606 0.2094992 0.5377267), wk = 0.0026738 k( 146) = ( 0.1210166 0.1955325 0.5377267), wk = 0.0026738 k( 147) = ( 0.1123725 0.1815659 0.5377267), wk = 0.0026738 k( 148) = ( 0.1037285 0.1675993 0.5377267), wk = 0.0026738 k( 149) = ( 0.0950845 0.1536327 0.5377267), wk = 0.0026738 k( 150) = ( 0.0864404 0.1396661 0.5377267), wk = 0.0026738 k( 151) = ( 0.0777964 0.1256995 0.5377267), wk = 0.0026738 k( 152) = ( 0.0691523 0.1117329 0.5377267), wk = 0.0026738 k( 153) = ( 0.0605083 0.0977663 0.5377267), wk = 0.0026738 k( 154) = ( 0.0518643 0.0837997 0.5377267), wk = 0.0026738 k( 155) = ( 0.0432202 0.0698331 0.5377267), wk = 0.0026738 k( 156) = ( 0.0345762 0.0558664 0.5377267), wk = 0.0026738 k( 157) = ( 0.0259321 0.0418998 0.5377267), wk = 0.0026738 k( 158) = ( 0.0172881 0.0279332 0.5377267), wk = 0.0026738 k( 159) = ( 0.0086440 0.0139666 0.5377267), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5377267), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5377267), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5214319), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5051372), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4888424), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4725477), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4562529), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4399582), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4236634), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4073687), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3910739), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3747792), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3584844), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3421897), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3258949), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3096002), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2933054), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2770107), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2607160), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2444212), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2281265), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2118317), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1955370), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1792422), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1629475), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1466527), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1303580), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1140632), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0977685), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0814737), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0651790), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0488842), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325895), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162948), 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 0.0085959 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171919 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257878 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343838 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429797 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515756 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601716 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687675 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773635 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859594 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945553 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1031513 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1117472 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1203431 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1289391 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1375350 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1461310 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1547269 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1633228 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1719188 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1805147 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1891107 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1977066 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2063025 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2148985 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2234944 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2320904 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2406863 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2492822 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2578782 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2664741 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2750700 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2836660 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2922619 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3008579 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3094538 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3094538 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914312 0.3232988 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828624 0.3371439 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742936 0.3509889 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657248 0.3648339 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571560 0.3786790 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485872 0.3925240 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400184 0.4063690 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314496 0.4202141 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228808 0.4340591 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4143120 0.4479041 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057432 0.4617492 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971744 0.4755942 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886056 0.4894392 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800368 0.5032843 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3714680 0.5171293 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628993 0.5309743 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3543305 0.5448194 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457617 0.5586644 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457617 0.5586644 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457617 0.5586644 0.0162948), wk = 0.0026738 k( 253) = ( -0.3457617 0.5586644 0.0325895), wk = 0.0026738 k( 254) = ( -0.3457617 0.5586644 0.0488842), wk = 0.0026738 k( 255) = ( -0.3457617 0.5586644 0.0651790), wk = 0.0026738 k( 256) = ( -0.3457617 0.5586644 0.0814737), wk = 0.0026738 k( 257) = ( -0.3457617 0.5586644 0.0977685), wk = 0.0026738 k( 258) = ( -0.3457617 0.5586644 0.1140632), wk = 0.0026738 k( 259) = ( -0.3457617 0.5586644 0.1303580), wk = 0.0026738 k( 260) = ( -0.3457617 0.5586644 0.1466527), wk = 0.0026738 k( 261) = ( -0.3457617 0.5586644 0.1629475), wk = 0.0026738 k( 262) = ( -0.3457617 0.5586644 0.1792422), wk = 0.0026738 k( 263) = ( -0.3457617 0.5586644 0.1955370), wk = 0.0026738 k( 264) = ( -0.3457617 0.5586644 0.2118317), wk = 0.0026738 k( 265) = ( -0.3457617 0.5586644 0.2281265), wk = 0.0026738 k( 266) = ( -0.3457617 0.5586644 0.2444212), wk = 0.0026738 k( 267) = ( -0.3457617 0.5586644 0.2607160), wk = 0.0026738 k( 268) = ( -0.3457617 0.5586644 0.2770107), wk = 0.0026738 k( 269) = ( -0.3457617 0.5586644 0.2933054), wk = 0.0026738 k( 270) = ( -0.3457617 0.5586644 0.3096002), wk = 0.0026738 k( 271) = ( -0.3457617 0.5586644 0.3258949), wk = 0.0026738 k( 272) = ( -0.3457617 0.5586644 0.3421897), wk = 0.0026738 k( 273) = ( -0.3457617 0.5586644 0.3584844), wk = 0.0026738 k( 274) = ( -0.3457617 0.5586644 0.3747792), wk = 0.0026738 k( 275) = ( -0.3457617 0.5586644 0.3910739), wk = 0.0026738 k( 276) = ( -0.3457617 0.5586644 0.4073687), wk = 0.0026738 k( 277) = ( -0.3457617 0.5586644 0.4236634), wk = 0.0026738 k( 278) = ( -0.3457617 0.5586644 0.4399582), wk = 0.0026738 k( 279) = ( -0.3457617 0.5586644 0.4562529), wk = 0.0026738 k( 280) = ( -0.3457617 0.5586644 0.4725477), wk = 0.0026738 k( 281) = ( -0.3457617 0.5586644 0.4888424), wk = 0.0026738 k( 282) = ( -0.3457617 0.5586644 0.5051372), wk = 0.0026738 k( 283) = ( -0.3457617 0.5586644 0.5214319), wk = 0.0026738 k( 284) = ( -0.3457617 0.5586644 0.5377267), wk = 0.0026738 k( 285) = ( -0.3457617 0.5586644 0.5377267), wk = 0.0026738 k( 286) = ( -0.3543305 0.5448194 0.5377267), wk = 0.0026738 k( 287) = ( -0.3628993 0.5309743 0.5377267), wk = 0.0026738 k( 288) = ( -0.3714680 0.5171293 0.5377267), wk = 0.0026738 k( 289) = ( -0.3800368 0.5032843 0.5377267), wk = 0.0026738 k( 290) = ( -0.3886056 0.4894392 0.5377267), wk = 0.0026738 k( 291) = ( -0.3971744 0.4755942 0.5377267), wk = 0.0026738 k( 292) = ( -0.4057432 0.4617492 0.5377267), wk = 0.0026738 k( 293) = ( -0.4143120 0.4479041 0.5377267), wk = 0.0026738 k( 294) = ( -0.4228808 0.4340591 0.5377267), wk = 0.0026738 k( 295) = ( -0.4314496 0.4202141 0.5377267), wk = 0.0026738 k( 296) = ( -0.4400184 0.4063690 0.5377267), wk = 0.0026738 k( 297) = ( -0.4485872 0.3925240 0.5377267), wk = 0.0026738 k( 298) = ( -0.4571560 0.3786790 0.5377267), wk = 0.0026738 k( 299) = ( -0.4657248 0.3648339 0.5377267), wk = 0.0026738 k( 300) = ( -0.4742936 0.3509889 0.5377267), wk = 0.0026738 k( 301) = ( -0.4828624 0.3371439 0.5377267), wk = 0.0026738 k( 302) = ( -0.4914312 0.3232988 0.5377267), wk = 0.0026738 k( 303) = ( -0.5000000 0.3094538 0.5377267), wk = 0.0026738 k( 304) = ( -0.5000000 0.3094538 0.5377267), wk = 0.0026738 k( 305) = ( -0.5000000 0.3094538 0.5214319), wk = 0.0026738 k( 306) = ( -0.5000000 0.3094538 0.5051372), wk = 0.0026738 k( 307) = ( -0.5000000 0.3094538 0.4888424), wk = 0.0026738 k( 308) = ( -0.5000000 0.3094538 0.4725477), wk = 0.0026738 k( 309) = ( -0.5000000 0.3094538 0.4562529), wk = 0.0026738 k( 310) = ( -0.5000000 0.3094538 0.4399582), wk = 0.0026738 k( 311) = ( -0.5000000 0.3094538 0.4236634), wk = 0.0026738 k( 312) = ( -0.5000000 0.3094538 0.4073687), wk = 0.0026738 k( 313) = ( -0.5000000 0.3094538 0.3910739), wk = 0.0026738 k( 314) = ( -0.5000000 0.3094538 0.3747792), wk = 0.0026738 k( 315) = ( -0.5000000 0.3094538 0.3584844), wk = 0.0026738 k( 316) = ( -0.5000000 0.3094538 0.3421897), wk = 0.0026738 k( 317) = ( -0.5000000 0.3094538 0.3258949), wk = 0.0026738 k( 318) = ( -0.5000000 0.3094538 0.3096002), wk = 0.0026738 k( 319) = ( -0.5000000 0.3094538 0.2933054), wk = 0.0026738 k( 320) = ( -0.5000000 0.3094538 0.2770107), wk = 0.0026738 k( 321) = ( -0.5000000 0.3094538 0.2607160), wk = 0.0026738 k( 322) = ( -0.5000000 0.3094538 0.2444212), wk = 0.0026738 k( 323) = ( -0.5000000 0.3094538 0.2281265), wk = 0.0026738 k( 324) = ( -0.5000000 0.3094538 0.2118317), wk = 0.0026738 k( 325) = ( -0.5000000 0.3094538 0.1955370), wk = 0.0026738 k( 326) = ( -0.5000000 0.3094538 0.1792422), wk = 0.0026738 k( 327) = ( -0.5000000 0.3094538 0.1629475), wk = 0.0026738 k( 328) = ( -0.5000000 0.3094538 0.1466527), wk = 0.0026738 k( 329) = ( -0.5000000 0.3094538 0.1303580), wk = 0.0026738 k( 330) = ( -0.5000000 0.3094538 0.1140632), wk = 0.0026738 k( 331) = ( -0.5000000 0.3094538 0.0977685), wk = 0.0026738 k( 332) = ( -0.5000000 0.3094538 0.0814737), wk = 0.0026738 k( 333) = ( -0.5000000 0.3094538 0.0651790), wk = 0.0026738 k( 334) = ( -0.5000000 0.3094538 0.0488842), wk = 0.0026738 k( 335) = ( -0.5000000 0.3094538 0.0325895), wk = 0.0026738 k( 336) = ( -0.5000000 0.3094538 0.0162948), wk = 0.0026738 k( 337) = ( -0.5000000 0.3094538 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5377267), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085959 0.5377267), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171919 0.5377267), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257878 0.5377267), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343838 0.5377267), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429797 0.5377267), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515756 0.5377267), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601716 0.5377267), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687675 0.5377267), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773635 0.5377267), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859594 0.5377267), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945553 0.5377267), wk = 0.0026738 k( 350) = ( -0.1666667 0.1031513 0.5377267), wk = 0.0026738 k( 351) = ( -0.1805556 0.1117472 0.5377267), wk = 0.0026738 k( 352) = ( -0.1944444 0.1203431 0.5377267), wk = 0.0026738 k( 353) = ( -0.2083333 0.1289391 0.5377267), wk = 0.0026738 k( 354) = ( -0.2222222 0.1375350 0.5377267), wk = 0.0026738 k( 355) = ( -0.2361111 0.1461310 0.5377267), wk = 0.0026738 k( 356) = ( -0.2500000 0.1547269 0.5377267), wk = 0.0026738 k( 357) = ( -0.2638889 0.1633228 0.5377267), wk = 0.0026738 k( 358) = ( -0.2777778 0.1719188 0.5377267), wk = 0.0026738 k( 359) = ( -0.2916667 0.1805147 0.5377267), wk = 0.0026738 k( 360) = ( -0.3055556 0.1891107 0.5377267), wk = 0.0026738 k( 361) = ( -0.3194444 0.1977066 0.5377267), wk = 0.0026738 k( 362) = ( -0.3333333 0.2063025 0.5377267), wk = 0.0026738 k( 363) = ( -0.3472222 0.2148985 0.5377267), wk = 0.0026738 k( 364) = ( -0.3611111 0.2234944 0.5377267), wk = 0.0026738 k( 365) = ( -0.3750000 0.2320904 0.5377267), wk = 0.0026738 k( 366) = ( -0.3888889 0.2406863 0.5377267), wk = 0.0026738 k( 367) = ( -0.4027778 0.2492822 0.5377267), wk = 0.0026738 k( 368) = ( -0.4166667 0.2578782 0.5377267), wk = 0.0026738 k( 369) = ( -0.4305556 0.2664741 0.5377267), wk = 0.0026738 k( 370) = ( -0.4444444 0.2750700 0.5377267), wk = 0.0026738 k( 371) = ( -0.4583333 0.2836660 0.5377267), wk = 0.0026738 k( 372) = ( -0.4722222 0.2922619 0.5377267), wk = 0.0026738 k( 373) = ( -0.4861111 0.3008579 0.5377267), wk = 0.0026738 k( 374) = ( -0.5000000 0.3094538 0.5377267), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086440 0.0086440 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172881 0.0172881 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259321 0.0259321 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345762 0.0345762 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432202 0.0432202 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518643 0.0518643 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605083 0.0605083 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691523 0.0691523 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777964 0.0777964 0.0000000), wk = 0.0026738 k( 11) = ( 0.0864404 0.0864404 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950845 0.0950845 0.0000000), wk = 0.0026738 k( 13) = ( 0.1037285 0.1037285 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123725 0.1123725 0.0000000), wk = 0.0026738 k( 15) = ( 0.1210166 0.1210166 0.0000000), wk = 0.0026738 k( 16) = ( 0.1296606 0.1296606 0.0000000), wk = 0.0026738 k( 17) = ( 0.1383047 0.1383047 0.0000000), wk = 0.0026738 k( 18) = ( 0.1469487 0.1469487 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555928 0.1555928 0.0000000), wk = 0.0026738 k( 20) = ( 0.1642368 0.1642368 0.0000000), wk = 0.0026738 k( 21) = ( 0.1728808 0.1728808 0.0000000), wk = 0.0026738 k( 22) = ( 0.1815249 0.1815249 0.0000000), wk = 0.0026738 k( 23) = ( 0.1901689 0.1901689 0.0000000), wk = 0.0026738 k( 24) = ( 0.1988129 0.1988130 0.0000000), wk = 0.0026738 k( 25) = ( 0.2074570 0.2074570 0.0000000), wk = 0.0026738 k( 26) = ( 0.2161010 0.2161010 0.0000000), wk = 0.0026738 k( 27) = ( 0.2247451 0.2247451 0.0000000), wk = 0.0026738 k( 28) = ( 0.2333891 0.2333891 0.0000000), wk = 0.0026738 k( 29) = ( 0.2420332 0.2420332 0.0000000), wk = 0.0026738 k( 30) = ( 0.2506772 0.2506772 0.0000000), wk = 0.0026738 k( 31) = ( 0.2593212 0.2593212 0.0000000), wk = 0.0026738 k( 32) = ( 0.2679653 0.2679653 0.0000000), wk = 0.0026738 k( 33) = ( 0.2766093 0.2766093 0.0000000), wk = 0.0026738 k( 34) = ( 0.2852534 0.2852534 0.0000000), wk = 0.0026738 k( 35) = ( 0.2938974 0.2938974 0.0000000), wk = 0.0026738 k( 36) = ( 0.3025414 0.3025415 0.0000000), wk = 0.0026738 k( 37) = ( 0.3111855 0.3111855 0.0000000), wk = 0.0026738 k( 38) = ( 0.3198295 0.3198295 0.0000000), wk = 0.0026738 k( 39) = ( 0.3284736 0.3284736 0.0000000), wk = 0.0026738 k( 40) = ( 0.3371176 0.3371176 0.0000000), wk = 0.0026738 k( 41) = ( 0.3457617 0.3457617 0.0000000), wk = 0.0026738 k( 42) = ( 0.3457617 0.3457617 0.0000000), wk = 0.0026738 k( 43) = ( 0.3292968 0.3531063 0.0000000), wk = 0.0026738 k( 44) = ( 0.3128320 0.3604510 0.0000000), wk = 0.0026738 k( 45) = ( 0.2963671 0.3677957 0.0000000), wk = 0.0026738 k( 46) = ( 0.2799023 0.3751404 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634375 0.3824851 0.0000000), wk = 0.0026738 k( 48) = ( 0.2469726 0.3898298 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2305078 0.3971744 0.0000000), wk = 0.0026738 k( 50) = ( 0.2140429 0.4045191 0.0000000), wk = 0.0026738 k( 51) = ( 0.1975781 0.4118638 0.0000000), wk = 0.0026738 k( 52) = ( 0.1811133 0.4192085 0.0000000), wk = 0.0026738 k( 53) = ( 0.1646484 0.4265532 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481836 0.4338979 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317187 0.4412425 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152539 0.4485872 0.0000000), wk = 0.0026738 k( 57) = ( 0.0987891 0.4559319 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823242 0.4632766 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658594 0.4706213 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493945 0.4779660 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329297 0.4853106 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164648 0.4926553 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 0.1515151), 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) = ( 0.0164648 0.4926553 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329297 0.4853106 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493945 0.4779660 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658594 0.4706213 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823242 0.4632766 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987891 0.4559319 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152539 0.4485872 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317187 0.4412425 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481836 0.4338979 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646484 0.4265532 0.5000000), wk = 0.0026738 k( 109) = ( 0.1811133 0.4192085 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975781 0.4118638 0.5000000), wk = 0.0026738 k( 111) = ( 0.2140429 0.4045191 0.5000000), wk = 0.0026738 k( 112) = ( 0.2305078 0.3971744 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469726 0.3898298 0.5000000), wk = 0.0026738 k( 114) = ( 0.2634375 0.3824851 0.5000000), wk = 0.0026738 k( 115) = ( 0.2799023 0.3751404 0.5000000), wk = 0.0026738 k( 116) = ( 0.2963671 0.3677957 0.5000000), wk = 0.0026738 k( 117) = ( 0.3128320 0.3604510 0.5000000), wk = 0.0026738 k( 118) = ( 0.3292968 0.3531063 0.5000000), wk = 0.0026738 k( 119) = ( 0.3457617 0.3457617 0.5000000), wk = 0.0026738 k( 120) = ( 0.3457617 0.3457617 0.5000000), wk = 0.0026738 k( 121) = ( 0.3371176 0.3371176 0.5000000), wk = 0.0026738 k( 122) = ( 0.3284736 0.3284736 0.5000000), wk = 0.0026738 k( 123) = ( 0.3198295 0.3198295 0.5000000), wk = 0.0026738 k( 124) = ( 0.3111855 0.3111855 0.5000000), wk = 0.0026738 k( 125) = ( 0.3025414 0.3025415 0.5000000), wk = 0.0026738 k( 126) = ( 0.2938974 0.2938974 0.5000000), wk = 0.0026738 k( 127) = ( 0.2852534 0.2852534 0.5000000), wk = 0.0026738 k( 128) = ( 0.2766093 0.2766093 0.5000000), wk = 0.0026738 k( 129) = ( 0.2679653 0.2679653 0.5000000), wk = 0.0026738 k( 130) = ( 0.2593212 0.2593212 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506772 0.2506772 0.5000000), wk = 0.0026738 k( 132) = ( 0.2420332 0.2420332 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333891 0.2333891 0.5000000), wk = 0.0026738 k( 134) = ( 0.2247451 0.2247451 0.5000000), wk = 0.0026738 k( 135) = ( 0.2161010 0.2161010 0.5000000), wk = 0.0026738 k( 136) = ( 0.2074570 0.2074570 0.5000000), wk = 0.0026738 k( 137) = ( 0.1988129 0.1988130 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901689 0.1901689 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815249 0.1815249 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728808 0.1728808 0.5000000), wk = 0.0026738 k( 141) = ( 0.1642368 0.1642368 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555928 0.1555928 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469487 0.1469487 0.5000000), wk = 0.0026738 k( 144) = ( 0.1383047 0.1383047 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296606 0.1296606 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210166 0.1210166 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123725 0.1123725 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037285 0.1037285 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950845 0.0950845 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864404 0.0864404 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777964 0.0777964 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691523 0.0691523 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605083 0.0605083 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518643 0.0518643 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432202 0.0432202 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345762 0.0345762 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259321 0.0259321 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172881 0.0172881 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086440 0.0086440 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) = ( -0.4914312 0.5085688 0.0000000), wk = 0.0026738 k( 234) = ( -0.4828624 0.5171376 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742936 0.5257064 0.0000000), wk = 0.0026738 k( 236) = ( -0.4657248 0.5342752 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571560 0.5428440 0.0000000), wk = 0.0026738 k( 238) = ( -0.4485872 0.5514128 0.0000000), wk = 0.0026738 k( 239) = ( -0.4400184 0.5599816 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314496 0.5685504 0.0000000), wk = 0.0026738 k( 241) = ( -0.4228808 0.5771192 0.0000000), wk = 0.0026738 k( 242) = ( -0.4143120 0.5856880 0.0000000), wk = 0.0026738 k( 243) = ( -0.4057432 0.5942568 0.0000000), wk = 0.0026738 k( 244) = ( -0.3971744 0.6028256 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3886056 0.6113944 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800368 0.6199632 0.0000000), wk = 0.0026738 k( 247) = ( -0.3714680 0.6285320 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628993 0.6371008 0.0000000), wk = 0.0026738 k( 249) = ( -0.3543305 0.6456696 0.0000000), wk = 0.0026738 k( 250) = ( -0.3457617 0.6542383 0.0000000), wk = 0.0026738 k( 251) = ( -0.3457617 0.6542383 0.0000000), wk = 0.0026738 k( 252) = ( -0.3457617 0.6542383 0.0151515), wk = 0.0026738 k( 253) = ( -0.3457617 0.6542383 0.0303030), wk = 0.0026738 k( 254) = ( -0.3457617 0.6542383 0.0454545), wk = 0.0026738 k( 255) = ( -0.3457617 0.6542383 0.0606061), wk = 0.0026738 k( 256) = ( -0.3457617 0.6542383 0.0757576), wk = 0.0026738 k( 257) = ( -0.3457617 0.6542383 0.0909091), wk = 0.0026738 k( 258) = ( -0.3457617 0.6542383 0.1060606), wk = 0.0026738 k( 259) = ( -0.3457617 0.6542383 0.1212121), wk = 0.0026738 k( 260) = ( -0.3457617 0.6542383 0.1363636), wk = 0.0026738 k( 261) = ( -0.3457617 0.6542383 0.1515151), wk = 0.0026738 k( 262) = ( -0.3457617 0.6542383 0.1666667), wk = 0.0026738 k( 263) = ( -0.3457617 0.6542383 0.1818182), wk = 0.0026738 k( 264) = ( -0.3457617 0.6542383 0.1969697), wk = 0.0026738 k( 265) = ( -0.3457617 0.6542383 0.2121212), wk = 0.0026738 k( 266) = ( -0.3457617 0.6542383 0.2272727), wk = 0.0026738 k( 267) = ( -0.3457617 0.6542383 0.2424242), wk = 0.0026738 k( 268) = ( -0.3457617 0.6542383 0.2575758), wk = 0.0026738 k( 269) = ( -0.3457617 0.6542383 0.2727273), wk = 0.0026738 k( 270) = ( -0.3457617 0.6542383 0.2878788), wk = 0.0026738 k( 271) = ( -0.3457617 0.6542383 0.3030303), wk = 0.0026738 k( 272) = ( -0.3457617 0.6542383 0.3181818), wk = 0.0026738 k( 273) = ( -0.3457617 0.6542383 0.3333333), wk = 0.0026738 k( 274) = ( -0.3457617 0.6542383 0.3484849), wk = 0.0026738 k( 275) = ( -0.3457617 0.6542383 0.3636364), wk = 0.0026738 k( 276) = ( -0.3457617 0.6542383 0.3787879), wk = 0.0026738 k( 277) = ( -0.3457617 0.6542383 0.3939394), wk = 0.0026738 k( 278) = ( -0.3457617 0.6542383 0.4090909), wk = 0.0026738 k( 279) = ( -0.3457617 0.6542383 0.4242424), wk = 0.0026738 k( 280) = ( -0.3457617 0.6542383 0.4393939), wk = 0.0026738 k( 281) = ( -0.3457617 0.6542383 0.4545455), wk = 0.0026738 k( 282) = ( -0.3457617 0.6542383 0.4696970), wk = 0.0026738 k( 283) = ( -0.3457617 0.6542383 0.4848485), wk = 0.0026738 k( 284) = ( -0.3457617 0.6542383 0.5000000), wk = 0.0026738 k( 285) = ( -0.3457617 0.6542383 0.5000000), wk = 0.0026738 k( 286) = ( -0.3543305 0.6456696 0.5000000), wk = 0.0026738 k( 287) = ( -0.3628993 0.6371008 0.5000000), wk = 0.0026738 k( 288) = ( -0.3714680 0.6285320 0.5000000), wk = 0.0026738 k( 289) = ( -0.3800368 0.6199632 0.5000000), wk = 0.0026738 k( 290) = ( -0.3886056 0.6113944 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971744 0.6028256 0.5000000), wk = 0.0026738 k( 292) = ( -0.4057432 0.5942568 0.5000000), wk = 0.0026738 k( 293) = ( -0.4143120 0.5856880 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228808 0.5771192 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314496 0.5685504 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400184 0.5599816 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485872 0.5514128 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571560 0.5428440 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657248 0.5342752 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742936 0.5257064 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828624 0.5171376 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914312 0.5085688 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: 77863 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34417 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 196, 58) NL pseudopotentials 0.33 Mb ( 98, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1625) G-vector shells 0.01 Mb ( 836) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 196, 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 total cpu time spent up to now is 45.2 secs Computing kpt #: 2 total cpu time spent up to now is 48.0 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 53.6 secs Computing kpt #: 5 total cpu time spent up to now is 56.7 secs Computing kpt #: 6 total cpu time spent up to now is 59.7 secs Computing kpt #: 7 total cpu time spent up to now is 62.7 secs Computing kpt #: 8 total cpu time spent up to now is 65.8 secs Computing kpt #: 9 total cpu time spent up to now is 68.8 secs Computing kpt #: 10 total cpu time spent up to now is 72.2 secs Computing kpt #: 11 total cpu time spent up to now is 75.5 secs Computing kpt #: 12 total cpu time spent up to now is 78.3 secs Computing kpt #: 13 total cpu time spent up to now is 81.6 secs Computing kpt #: 14 total cpu time spent up to now is 84.3 secs Computing kpt #: 15 total cpu time spent up to now is 87.0 secs Computing kpt #: 16 total cpu time spent up to now is 89.6 secs Computing kpt #: 17 total cpu time spent up to now is 92.6 secs Computing kpt #: 18 total cpu time spent up to now is 95.8 secs Computing kpt #: 19 total cpu time spent up to now is 98.9 secs Computing kpt #: 20 total cpu time spent up to now is 101.9 secs Computing kpt #: 21 total cpu time spent up to now is 105.2 secs Computing kpt #: 22 total cpu time spent up to now is 108.3 secs Computing kpt #: 23 total cpu time spent up to now is 111.6 secs Computing kpt #: 24 total cpu time spent up to now is 114.9 secs Computing kpt #: 25 total cpu time spent up to now is 117.9 secs Computing kpt #: 26 total cpu time spent up to now is 121.0 secs Computing kpt #: 27 total cpu time spent up to now is 124.0 secs Computing kpt #: 28 total cpu time spent up to now is 129.2 secs Computing kpt #: 29 total cpu time spent up to now is 132.2 secs Computing kpt #: 30 total cpu time spent up to now is 134.7 secs Computing kpt #: 31 total cpu time spent up to now is 137.2 secs Computing kpt #: 32 total cpu time spent up to now is 139.7 secs Computing kpt #: 33 total cpu time spent up to now is 142.4 secs Computing kpt #: 34 total cpu time spent up to now is 145.1 secs Computing kpt #: 35 total cpu time spent up to now is 147.7 secs Computing kpt #: 36 total cpu time spent up to now is 150.2 secs Computing kpt #: 37 total cpu time spent up to now is 152.7 secs Computing kpt #: 38 total cpu time spent up to now is 155.8 secs Computing kpt #: 39 total cpu time spent up to now is 159.0 secs Computing kpt #: 40 total cpu time spent up to now is 162.0 secs Computing kpt #: 41 total cpu time spent up to now is 165.2 secs Computing kpt #: 42 total cpu time spent up to now is 168.3 secs Computing kpt #: 43 total cpu time spent up to now is 171.6 secs Computing kpt #: 44 total cpu time spent up to now is 174.8 secs Computing kpt #: 45 total cpu time spent up to now is 178.0 secs Computing kpt #: 46 total cpu time spent up to now is 181.3 secs Computing kpt #: 47 total cpu time spent up to now is 184.4 secs Computing kpt #: 48 total cpu time spent up to now is 187.6 secs Computing kpt #: 49 total cpu time spent up to now is 191.1 secs Computing kpt #: 50 total cpu time spent up to now is 194.2 secs Computing kpt #: 51 total cpu time spent up to now is 197.7 secs Computing kpt #: 52 total cpu time spent up to now is 201.0 secs Computing kpt #: 53 total cpu time spent up to now is 204.0 secs Computing kpt #: 54 total cpu time spent up to now is 207.1 secs Computing kpt #: 55 total cpu time spent up to now is 209.9 secs Computing kpt #: 56 total cpu time spent up to now is 212.6 secs Computing kpt #: 57 total cpu time spent up to now is 215.2 secs Computing kpt #: 58 total cpu time spent up to now is 218.0 secs Computing kpt #: 59 total cpu time spent up to now is 220.6 secs Computing kpt #: 60 total cpu time spent up to now is 223.2 secs Computing kpt #: 61 total cpu time spent up to now is 225.8 secs Computing kpt #: 62 total cpu time spent up to now is 228.4 secs Computing kpt #: 63 total cpu time spent up to now is 230.9 secs Computing kpt #: 64 total cpu time spent up to now is 233.4 secs Computing kpt #: 65 total cpu time spent up to now is 235.9 secs Computing kpt #: 66 total cpu time spent up to now is 238.5 secs Computing kpt #: 67 total cpu time spent up to now is 241.1 secs Computing kpt #: 68 total cpu time spent up to now is 243.8 secs Computing kpt #: 69 total cpu time spent up to now is 246.4 secs Computing kpt #: 70 total cpu time spent up to now is 249.1 secs Computing kpt #: 71 total cpu time spent up to now is 252.0 secs Computing kpt #: 72 total cpu time spent up to now is 254.8 secs Computing kpt #: 73 total cpu time spent up to now is 257.8 secs Computing kpt #: 74 total cpu time spent up to now is 260.9 secs Computing kpt #: 75 total cpu time spent up to now is 263.9 secs Computing kpt #: 76 total cpu time spent up to now is 267.2 secs Computing kpt #: 77 total cpu time spent up to now is 270.4 secs Computing kpt #: 78 total cpu time spent up to now is 274.7 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.9 secs Computing kpt #: 80 total cpu time spent up to now is 284.8 secs Computing kpt #: 81 total cpu time spent up to now is 288.3 secs Computing kpt #: 82 total cpu time spent up to now is 291.2 secs Computing kpt #: 83 total cpu time spent up to now is 294.0 secs Computing kpt #: 84 total cpu time spent up to now is 296.9 secs Computing kpt #: 85 total cpu time spent up to now is 299.5 secs Computing kpt #: 86 total cpu time spent up to now is 302.0 secs Computing kpt #: 87 total cpu time spent up to now is 304.5 secs Computing kpt #: 88 total cpu time spent up to now is 307.0 secs Computing kpt #: 89 total cpu time spent up to now is 309.5 secs Computing kpt #: 90 total cpu time spent up to now is 312.0 secs Computing kpt #: 91 total cpu time spent up to now is 314.7 secs Computing kpt #: 92 total cpu time spent up to now is 317.1 secs Computing kpt #: 93 total cpu time spent up to now is 319.6 secs Computing kpt #: 94 total cpu time spent up to now is 322.3 secs Computing kpt #: 95 total cpu time spent up to now is 325.3 secs Computing kpt #: 96 total cpu time spent up to now is 328.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.7 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.8 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.3 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.3 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.4 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.4 secs Computing kpt #: 108 total cpu time spent up to now is 391.7 secs Computing kpt #: 109 total cpu time spent up to now is 395.4 secs Computing kpt #: 110 total cpu time spent up to now is 399.0 secs Computing kpt #: 111 total cpu time spent up to now is 402.6 secs Computing kpt #: 112 total cpu time spent up to now is 406.1 secs Computing kpt #: 113 total cpu time spent up to now is 410.7 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.7 secs Computing kpt #: 115 total cpu time spent up to now is 419.3 secs Computing kpt #: 116 total cpu time spent up to now is 422.8 secs Computing kpt #: 117 total cpu time spent up to now is 427.5 secs Computing kpt #: 118 total cpu time spent up to now is 431.1 secs Computing kpt #: 119 total cpu time spent up to now is 434.6 secs Computing kpt #: 120 total cpu time spent up to now is 438.2 secs Computing kpt #: 121 total cpu time spent up to now is 442.8 secs Computing kpt #: 122 total cpu time spent up to now is 446.4 secs Computing kpt #: 123 total cpu time spent up to now is 450.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.2 secs Computing kpt #: 125 total cpu time spent up to now is 458.6 secs Computing kpt #: 126 total cpu time spent up to now is 463.2 secs Computing kpt #: 127 total cpu time spent up to now is 467.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.3 secs Computing kpt #: 129 total cpu time spent up to now is 475.8 secs Computing kpt #: 130 total cpu time spent up to now is 478.9 secs Computing kpt #: 131 total cpu time spent up to now is 482.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.3 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.3 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.1 secs Computing kpt #: 135 total cpu time spent up to now is 501.5 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 506.8 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.9 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.1 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.2 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.0 secs Computing kpt #: 146 total cpu time spent up to now is 556.3 secs Computing kpt #: 147 total cpu time spent up to now is 559.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 564.7 secs Computing kpt #: 149 total cpu time spent up to now is 568.2 secs Computing kpt #: 150 total cpu time spent up to now is 571.7 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.6 secs Computing kpt #: 152 total cpu time spent up to now is 578.9 secs Computing kpt #: 153 total cpu time spent up to now is 582.4 secs Computing kpt #: 154 total cpu time spent up to now is 585.7 secs Computing kpt #: 155 total cpu time spent up to now is 588.9 secs Computing kpt #: 156 total cpu time spent up to now is 593.4 secs Computing kpt #: 157 total cpu time spent up to now is 596.7 secs Computing kpt #: 158 total cpu time spent up to now is 600.1 secs Computing kpt #: 159 total cpu time spent up to now is 603.5 secs Computing kpt #: 160 total cpu time spent up to now is 605.8 secs Computing kpt #: 161 total cpu time spent up to now is 608.1 secs Computing kpt #: 162 total cpu time spent up to now is 610.9 secs Computing kpt #: 163 total cpu time spent up to now is 613.4 secs Computing kpt #: 164 total cpu time spent up to now is 616.0 secs Computing kpt #: 165 total cpu time spent up to now is 618.4 secs Computing kpt #: 166 total cpu time spent up to now is 620.7 secs Computing kpt #: 167 total cpu time spent up to now is 623.0 secs Computing kpt #: 168 total cpu time spent up to now is 625.2 secs Computing kpt #: 169 total cpu time spent up to now is 627.6 secs Computing kpt #: 170 total cpu time spent up to now is 629.9 secs Computing kpt #: 171 total cpu time spent up to now is 632.1 secs Computing kpt #: 172 total cpu time spent up to now is 634.4 secs Computing kpt #: 173 total cpu time spent up to now is 636.6 secs Computing kpt #: 174 total cpu time spent up to now is 638.9 secs Computing kpt #: 175 total cpu time spent up to now is 641.1 secs Computing kpt #: 176 total cpu time spent up to now is 643.5 secs Computing kpt #: 177 total cpu time spent up to now is 646.3 secs Computing kpt #: 178 total cpu time spent up to now is 649.5 secs Computing kpt #: 179 total cpu time spent up to now is 652.2 secs Computing kpt #: 180 total cpu time spent up to now is 655.0 secs Computing kpt #: 181 total cpu time spent up to now is 658.0 secs Computing kpt #: 182 total cpu time spent up to now is 660.8 secs Computing kpt #: 183 total cpu time spent up to now is 663.7 secs Computing kpt #: 184 total cpu time spent up to now is 666.6 secs Computing kpt #: 185 total cpu time spent up to now is 669.5 secs Computing kpt #: 186 total cpu time spent up to now is 673.1 secs Computing kpt #: 187 total cpu time spent up to now is 676.8 secs Computing kpt #: 188 total cpu time spent up to now is 679.6 secs Computing kpt #: 189 total cpu time spent up to now is 682.3 secs Computing kpt #: 190 total cpu time spent up to now is 685.0 secs Computing kpt #: 191 total cpu time spent up to now is 687.7 secs Computing kpt #: 192 total cpu time spent up to now is 690.6 secs Computing kpt #: 193 total cpu time spent up to now is 693.4 secs Computing kpt #: 194 total cpu time spent up to now is 696.2 secs Computing kpt #: 195 total cpu time spent up to now is 699.1 secs Computing kpt #: 196 total cpu time spent up to now is 701.8 secs Computing kpt #: 197 total cpu time spent up to now is 704.5 secs Computing kpt #: 198 total cpu time spent up to now is 707.4 secs Computing kpt #: 199 total cpu time spent up to now is 710.3 secs Computing kpt #: 200 total cpu time spent up to now is 713.3 secs Computing kpt #: 201 total cpu time spent up to now is 716.2 secs Computing kpt #: 202 total cpu time spent up to now is 719.1 secs Computing kpt #: 203 total cpu time spent up to now is 722.1 secs Computing kpt #: 204 total cpu time spent up to now is 725.1 secs Computing kpt #: 205 total cpu time spent up to now is 728.1 secs Computing kpt #: 206 total cpu time spent up to now is 731.1 secs Computing kpt #: 207 total cpu time spent up to now is 734.0 secs Computing kpt #: 208 total cpu time spent up to now is 737.0 secs Computing kpt #: 209 total cpu time spent up to now is 739.9 secs Computing kpt #: 210 total cpu time spent up to now is 742.9 secs Computing kpt #: 211 total cpu time spent up to now is 746.1 secs Computing kpt #: 212 total cpu time spent up to now is 749.3 secs Computing kpt #: 213 total cpu time spent up to now is 752.4 secs Computing kpt #: 214 total cpu time spent up to now is 755.5 secs Computing kpt #: 215 total cpu time spent up to now is 758.9 secs Computing kpt #: 216 total cpu time spent up to now is 762.2 secs Computing kpt #: 217 total cpu time spent up to now is 765.8 secs Computing kpt #: 218 total cpu time spent up to now is 769.3 secs Computing kpt #: 219 total cpu time spent up to now is 772.8 secs Computing kpt #: 220 total cpu time spent up to now is 776.5 secs Computing kpt #: 221 total cpu time spent up to now is 780.1 secs Computing kpt #: 222 total cpu time spent up to now is 783.8 secs Computing kpt #: 223 total cpu time spent up to now is 787.6 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.0 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 798.3 secs Computing kpt #: 226 total cpu time spent up to now is 802.0 secs Computing kpt #: 227 total cpu time spent up to now is 804.8 secs Computing kpt #: 228 total cpu time spent up to now is 807.2 secs Computing kpt #: 229 total cpu time spent up to now is 809.8 secs Computing kpt #: 230 total cpu time spent up to now is 813.0 secs Computing kpt #: 231 total cpu time spent up to now is 815.4 secs Computing kpt #: 232 total cpu time spent up to now is 817.7 secs Computing kpt #: 233 total cpu time spent up to now is 820.5 secs Computing kpt #: 234 total cpu time spent up to now is 823.4 secs Computing kpt #: 235 total cpu time spent up to now is 827.0 secs Computing kpt #: 236 total cpu time spent up to now is 829.9 secs Computing kpt #: 237 total cpu time spent up to now is 832.8 secs Computing kpt #: 238 total cpu time spent up to now is 836.2 secs Computing kpt #: 239 total cpu time spent up to now is 839.1 secs Computing kpt #: 240 total cpu time spent up to now is 841.7 secs Computing kpt #: 241 total cpu time spent up to now is 844.7 secs Computing kpt #: 242 total cpu time spent up to now is 847.6 secs Computing kpt #: 243 total cpu time spent up to now is 850.6 secs Computing kpt #: 244 total cpu time spent up to now is 853.3 secs Computing kpt #: 245 total cpu time spent up to now is 855.9 secs Computing kpt #: 246 total cpu time spent up to now is 858.6 secs Computing kpt #: 247 total cpu time spent up to now is 861.0 secs Computing kpt #: 248 total cpu time spent up to now is 863.6 secs Computing kpt #: 249 total cpu time spent up to now is 866.7 secs Computing kpt #: 250 total cpu time spent up to now is 869.8 secs Computing kpt #: 251 total cpu time spent up to now is 872.9 secs Computing kpt #: 252 total cpu time spent up to now is 876.0 secs Computing kpt #: 253 total cpu time spent up to now is 879.1 secs Computing kpt #: 254 total cpu time spent up to now is 882.3 secs Computing kpt #: 255 total cpu time spent up to now is 885.6 secs Computing kpt #: 256 total cpu time spent up to now is 890.3 secs Computing kpt #: 257 total cpu time spent up to now is 894.0 secs Computing kpt #: 258 total cpu time spent up to now is 897.0 secs Computing kpt #: 259 total cpu time spent up to now is 900.1 secs Computing kpt #: 260 total cpu time spent up to now is 902.7 secs Computing kpt #: 261 total cpu time spent up to now is 905.7 secs Computing kpt #: 262 total cpu time spent up to now is 908.7 secs Computing kpt #: 263 total cpu time spent up to now is 911.5 secs Computing kpt #: 264 total cpu time spent up to now is 914.2 secs Computing kpt #: 265 total cpu time spent up to now is 916.9 secs Computing kpt #: 266 total cpu time spent up to now is 919.6 secs Computing kpt #: 267 total cpu time spent up to now is 922.2 secs Computing kpt #: 268 total cpu time spent up to now is 924.8 secs Computing kpt #: 269 total cpu time spent up to now is 927.4 secs Computing kpt #: 270 total cpu time spent up to now is 930.0 secs Computing kpt #: 271 total cpu time spent up to now is 932.7 secs Computing kpt #: 272 total cpu time spent up to now is 935.4 secs Computing kpt #: 273 total cpu time spent up to now is 938.2 secs Computing kpt #: 274 total cpu time spent up to now is 940.9 secs Computing kpt #: 275 total cpu time spent up to now is 943.7 secs Computing kpt #: 276 total cpu time spent up to now is 946.4 secs Computing kpt #: 277 total cpu time spent up to now is 949.2 secs Computing kpt #: 278 total cpu time spent up to now is 951.9 secs Computing kpt #: 279 total cpu time spent up to now is 954.7 secs Computing kpt #: 280 total cpu time spent up to now is 957.7 secs Computing kpt #: 281 total cpu time spent up to now is 960.6 secs Computing kpt #: 282 total cpu time spent up to now is 963.6 secs Computing kpt #: 283 total cpu time spent up to now is 966.7 secs Computing kpt #: 284 total cpu time spent up to now is 970.3 secs Computing kpt #: 285 total cpu time spent up to now is 975.0 secs Computing kpt #: 286 total cpu time spent up to now is 979.1 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 984.1 secs Computing kpt #: 288 total cpu time spent up to now is 987.6 secs Computing kpt #: 289 total cpu time spent up to now is 989.8 secs Computing kpt #: 290 total cpu time spent up to now is 992.0 secs Computing kpt #: 291 total cpu time spent up to now is 994.3 secs Computing kpt #: 292 total cpu time spent up to now is 996.5 secs Computing kpt #: 293 total cpu time spent up to now is 999.6 secs Computing kpt #: 294 total cpu time spent up to now is 1001.8 secs Computing kpt #: 295 total cpu time spent up to now is 1004.2 secs Computing kpt #: 296 total cpu time spent up to now is 1006.5 secs Computing kpt #: 297 total cpu time spent up to now is 1008.7 secs Computing kpt #: 298 total cpu time spent up to now is 1010.9 secs Computing kpt #: 299 total cpu time spent up to now is 1014.0 secs Computing kpt #: 300 total cpu time spent up to now is 1016.3 secs Computing kpt #: 301 total cpu time spent up to now is 1019.1 secs Computing kpt #: 302 total cpu time spent up to now is 1021.3 secs Computing kpt #: 303 total cpu time spent up to now is 1023.5 secs Computing kpt #: 304 total cpu time spent up to now is 1026.0 secs Computing kpt #: 305 total cpu time spent up to now is 1029.5 secs Computing kpt #: 306 total cpu time spent up to now is 1032.3 secs Computing kpt #: 307 total cpu time spent up to now is 1035.6 secs Computing kpt #: 308 total cpu time spent up to now is 1038.7 secs Computing kpt #: 309 total cpu time spent up to now is 1042.1 secs Computing kpt #: 310 total cpu time spent up to now is 1045.0 secs Computing kpt #: 311 total cpu time spent up to now is 1047.6 secs Computing kpt #: 312 total cpu time spent up to now is 1050.3 secs Computing kpt #: 313 total cpu time spent up to now is 1053.2 secs Computing kpt #: 314 total cpu time spent up to now is 1055.8 secs Computing kpt #: 315 total cpu time spent up to now is 1058.3 secs Computing kpt #: 316 total cpu time spent up to now is 1060.8 secs Computing kpt #: 317 total cpu time spent up to now is 1063.4 secs Computing kpt #: 318 total cpu time spent up to now is 1065.8 secs Computing kpt #: 319 total cpu time spent up to now is 1068.3 secs Computing kpt #: 320 total cpu time spent up to now is 1070.9 secs Computing kpt #: 321 total cpu time spent up to now is 1073.3 secs Computing kpt #: 322 total cpu time spent up to now is 1075.6 secs Computing kpt #: 323 total cpu time spent up to now is 1078.1 secs Computing kpt #: 324 total cpu time spent up to now is 1080.7 secs Computing kpt #: 325 total cpu time spent up to now is 1083.4 secs Computing kpt #: 326 total cpu time spent up to now is 1086.2 secs Computing kpt #: 327 total cpu time spent up to now is 1089.9 secs Computing kpt #: 328 total cpu time spent up to now is 1093.0 secs Computing kpt #: 329 total cpu time spent up to now is 1096.6 secs Computing kpt #: 330 total cpu time spent up to now is 1100.1 secs Computing kpt #: 331 total cpu time spent up to now is 1103.0 secs Computing kpt #: 332 total cpu time spent up to now is 1105.5 secs Computing kpt #: 333 total cpu time spent up to now is 1108.0 secs Computing kpt #: 334 total cpu time spent up to now is 1110.5 secs Computing kpt #: 335 total cpu time spent up to now is 1113.0 secs Computing kpt #: 336 total cpu time spent up to now is 1115.3 secs Computing kpt #: 337 total cpu time spent up to now is 1117.6 secs Computing kpt #: 338 total cpu time spent up to now is 1119.9 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1124.7 secs Computing kpt #: 340 total cpu time spent up to now is 1128.0 secs Computing kpt #: 341 total cpu time spent up to now is 1131.2 secs Computing kpt #: 342 total cpu time spent up to now is 1134.6 secs Computing kpt #: 343 total cpu time spent up to now is 1137.9 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1143.1 secs Computing kpt #: 345 total cpu time spent up to now is 1146.5 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1151.4 secs Computing kpt #: 347 total cpu time spent up to now is 1154.9 secs Computing kpt #: 348 total cpu time spent up to now is 1158.3 secs Computing kpt #: 349 total cpu time spent up to now is 1161.7 secs Computing kpt #: 350 total cpu time spent up to now is 1164.9 secs Computing kpt #: 351 total cpu time spent up to now is 1168.4 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.4 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.5 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1183.5 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1188.4 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1193.6 secs Computing kpt #: 357 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1198.6 secs Computing kpt #: 358 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1203.5 secs Computing kpt #: 359 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1208.6 secs Computing kpt #: 360 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1213.5 secs Computing kpt #: 361 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1218.6 secs Computing kpt #: 362 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1223.8 secs Computing kpt #: 363 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1229.0 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1234.1 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1239.2 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1244.4 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1249.5 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1254.6 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1259.7 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1264.8 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1269.9 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1276.9 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1282.0 secs Computing kpt #: 374 total cpu time spent up to now is 1284.3 secs ethr = 2.08E-11, avg # of iterations = 57.6 total cpu time spent up to now is 1284.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8446 -13.8446 -13.3168 -13.3168 -10.8178 -10.8178 -9.0635 -9.0635 -8.8936 -8.8936 -8.8881 -8.8881 -3.7811 -3.7811 -3.5203 -3.5203 -2.4845 -2.4845 -0.7763 -0.7763 -0.3294 -0.3294 -0.2196 -0.2196 0.7519 0.7519 1.1430 1.1430 1.4256 1.4256 2.3972 2.3972 2.7305 2.7305 3.0372 3.0372 3.4197 3.4197 3.4456 3.4456 4.3700 4.3700 4.4318 4.4318 4.7161 4.7161 5.5586 5.5586 10.7404 10.7404 12.0376 12.0376 12.2996 12.2996 13.3938 13.3938 13.5941 13.5941 k = 0.0086 0.0140-0.0000 ( 4309 PWs) bands (ev): -13.8443 -13.8443 -13.3168 -13.3168 -10.8172 -10.8172 -9.0810 -9.0791 -8.8931 -8.8926 -8.8750 -8.8727 -3.7854 -3.7853 -3.5135 -3.5129 -2.4836 -2.4834 -0.7759 -0.7755 -0.3308 -0.3304 -0.2186 -0.2185 0.7421 0.7443 1.1416 1.1422 1.4341 1.4365 2.3954 2.3962 2.7297 2.7308 3.0354 3.0366 3.4197 3.4198 3.4433 3.4436 4.3703 4.3704 4.4310 4.4311 4.7154 4.7157 5.5575 5.5578 10.7432 10.7432 12.0392 12.0394 12.2993 12.2996 13.3910 13.3923 13.5950 13.5979 k = 0.0173 0.0279-0.0000 ( 4305 PWs) bands (ev): -13.8434 -13.8434 -13.3169 -13.3169 -10.8153 -10.8152 -9.1210 -9.1183 -8.8918 -8.8911 -8.8424 -8.8388 -3.7967 -3.7965 -3.4936 -3.4925 -2.4807 -2.4803 -0.7743 -0.7737 -0.3344 -0.3336 -0.2157 -0.2153 0.7166 0.7205 1.1378 1.1390 1.4608 1.4652 2.3908 2.3924 2.7283 2.7305 3.0315 3.0338 3.4192 3.4196 3.4373 3.4378 4.3712 4.3713 4.4286 4.4289 4.7136 4.7141 5.5547 5.5553 10.7514 10.7514 12.0440 12.0445 12.2986 12.2992 13.3845 13.3869 13.6001 13.6057 k = 0.0259 0.0419-0.0000 ( 4295 PWs) bands (ev): -13.8420 -13.8419 -13.3170 -13.3170 -10.8121 -10.8121 -9.1714 -9.1685 -8.8897 -8.8887 -8.8030 -8.7987 -3.8121 -3.8119 -3.4636 -3.4622 -2.4758 -2.4752 -0.7717 -0.7708 -0.3403 -0.3391 -0.2106 -0.2100 0.6788 0.6841 1.1317 1.1335 1.5021 1.5081 2.3835 2.3858 2.7262 2.7296 3.0256 3.0290 3.4154 3.4166 3.4306 3.4308 4.3726 4.3729 4.4247 4.4252 4.7105 4.7113 5.5501 5.5511 10.7650 10.7650 12.0521 12.0529 12.2975 12.2984 13.3751 13.3783 13.6082 13.6163 k = 0.0346 0.0559-0.0000 ( 4299 PWs) bands (ev): -13.8399 -13.8398 -13.3172 -13.3172 -10.8077 -10.8076 -9.2269 -9.2242 -8.8866 -8.8853 -8.7623 -8.7575 -3.8288 -3.8288 -3.4263 -3.4246 -2.4689 -2.4681 -0.7682 -0.7669 -0.3485 -0.3469 -0.2034 -0.2027 0.6328 0.6389 1.1233 1.1256 1.5544 1.5615 2.3733 2.3764 2.7233 2.7278 3.0180 3.0226 3.4026 3.4046 3.4287 3.4288 4.3748 4.3751 4.4192 4.4199 4.7062 4.7071 5.5440 5.5453 10.7839 10.7840 12.0634 12.0644 12.2959 12.2972 13.3636 13.3674 13.6172 13.6275 k = 0.0432 0.0698-0.0000 ( 4291 PWs) bands (ev): -13.8372 -13.8372 -13.3175 -13.3175 -10.8020 -10.8019 -9.2856 -9.2830 -8.8827 -8.8811 -8.7226 -8.7174 -3.8451 -3.8450 -3.3838 -3.3818 -2.4600 -2.4590 -0.7640 -0.7624 -0.3591 -0.3571 -0.1941 -0.1932 0.5816 0.5884 1.1124 1.1153 1.6143 1.6222 2.3604 2.3641 2.7194 2.7251 3.0093 3.0150 3.3828 3.3853 3.4301 3.4302 4.3775 4.3780 4.4122 4.4131 4.7004 4.7016 5.5364 5.5380 10.8080 10.8081 12.0775 12.0788 12.2938 12.2954 13.3509 13.3551 13.6248 13.6369 k = 0.0519 0.0838-0.0000 ( 4291 PWs) bands (ev): -13.8340 -13.8339 -13.3177 -13.3177 -10.7950 -10.7949 -9.3464 -9.3440 -8.8779 -8.8760 -8.6848 -8.6793 -3.8598 -3.8595 -3.3373 -3.3351 -2.4492 -2.4479 -0.7594 -0.7574 -0.3720 -0.3696 -0.1825 -0.1814 0.5280 0.5350 1.0992 1.1027 1.6794 1.6878 2.3446 2.3489 2.7142 2.7212 3.0000 3.0068 3.3581 3.3609 3.4330 3.4330 4.3809 4.3815 4.4037 4.4048 4.6932 4.6945 5.5274 5.5293 10.8371 10.8372 12.0945 12.0961 12.2911 12.2931 13.3377 13.3420 13.6284 13.6420 k = 0.0605 0.0978-0.0000 ( 4295 PWs) bands (ev): -13.8302 -13.8301 -13.3181 -13.3181 -10.7868 -10.7866 -9.4088 -9.4066 -8.8722 -8.8700 -8.6496 -8.6437 -3.8720 -3.8715 -3.2877 -3.2854 -2.4363 -2.4348 -0.7547 -0.7523 -0.3873 -0.3846 -0.1687 -0.1673 0.4736 0.4808 1.0836 1.0875 1.7480 1.7568 2.3260 2.3309 2.7075 2.7158 2.9907 2.9986 3.3290 3.3323 3.4367 3.4368 4.3850 4.3857 4.3936 4.3949 4.6843 4.6857 5.5172 5.5195 10.8709 10.8710 12.1142 12.1161 12.2877 12.2901 13.3245 13.3288 13.6265 13.6408 k = 0.0692 0.1117-0.0000 ( 4293 PWs) bands (ev): -13.8258 -13.8258 -13.3185 -13.3184 -10.7773 -10.7771 -9.4723 -9.4703 -8.8657 -8.8632 -8.6172 -8.6110 -3.8812 -3.8806 -3.2357 -3.2332 -2.4214 -2.4197 -0.7503 -0.7476 -0.4051 -0.4020 -0.1525 -0.1509 0.4199 0.4272 1.0655 1.0699 1.8187 1.8278 2.3045 2.3099 2.6992 2.7087 2.9820 2.9908 3.2961 3.2999 3.4414 3.4414 4.3819 4.3834 4.3898 4.3905 4.6736 4.6750 5.5060 5.5086 10.9093 10.9093 12.1363 12.1385 12.2836 12.2863 13.3115 13.3157 13.6187 13.6333 k = 0.0778 0.1257-0.0000 ( 4285 PWs) bands (ev): -13.8210 -13.8209 -13.3189 -13.3189 -10.7664 -10.7663 -9.5367 -9.5349 -8.8584 -8.8556 -8.5878 -8.5813 -3.8871 -3.8863 -3.1817 -3.1791 -2.4046 -2.4027 -0.7467 -0.7435 -0.4253 -0.4218 -0.1339 -0.1321 0.3682 0.3753 1.0449 1.0498 1.8908 1.9001 2.2803 2.2860 2.6893 2.6999 2.9743 2.9838 3.2598 3.2639 3.4470 3.4470 4.3686 4.3706 4.3953 4.3961 4.6611 4.6625 5.4939 5.4968 10.9518 10.9519 12.1608 12.1634 12.2785 12.2817 13.2991 13.3030 13.6066 13.6209 k = 0.0864 0.1397-0.0000 ( 4285 PWs) bands (ev): -13.8156 -13.8156 -13.3193 -13.3193 -10.7543 -10.7541 -9.6018 -9.6001 -8.8502 -8.8471 -8.5616 -8.5549 -3.8896 -3.8886 -3.1261 -3.1235 -2.3858 -2.3837 -0.7444 -0.7408 -0.4481 -0.4442 -0.1128 -0.1108 0.3194 0.3264 1.0216 1.0270 1.9635 1.9730 2.2532 2.2593 2.6777 2.6894 2.9679 2.9779 3.2203 3.2249 3.4536 3.4536 4.3538 4.3561 4.4015 4.4024 4.6465 4.6479 5.4809 5.4841 10.9983 10.9983 12.1877 12.1905 12.2726 12.2761 13.2872 13.2906 13.5919 13.6057 k = 0.0951 0.1536-0.0000 ( 4285 PWs) bands (ev): -13.8098 -13.8097 -13.3199 -13.3198 -10.7409 -10.7407 -9.6672 -9.6657 -8.8413 -8.8379 -8.5387 -8.5318 -3.8885 -3.8874 -3.0694 -3.0666 -2.3651 -2.3628 -0.7439 -0.7398 -0.4735 -0.4692 -0.0894 -0.0872 0.2747 0.2813 0.9958 1.0016 2.0362 2.0458 2.2235 2.2299 2.6647 2.6773 2.9628 2.9731 3.1783 3.1834 3.4613 3.4614 4.3375 4.3402 4.4084 4.4094 4.6299 4.6312 5.4673 5.4707 11.0484 11.0485 12.2168 12.2200 12.2656 12.2696 13.2759 13.2786 13.5769 13.5899 k = 0.1037 0.1676-0.0000 ( 4291 PWs) bands (ev): -13.8034 -13.8034 -13.3204 -13.3204 -10.7262 -10.7260 -9.7329 -9.7316 -8.8316 -8.8280 -8.5192 -8.5120 -3.8839 -3.8826 -3.0116 -3.0088 -2.3424 -2.3399 -0.7459 -0.7413 -0.5014 -0.4968 -0.0638 -0.0613 0.2349 0.2413 0.9672 0.9735 2.1085 2.1182 2.1913 2.1979 2.6505 2.6638 2.9587 2.9689 3.1345 3.1403 3.4703 3.4703 4.3197 4.3227 4.4162 4.4173 4.6112 4.6123 5.4529 5.4566 11.1018 11.1019 12.2483 12.2518 12.2577 12.2621 13.2649 13.2666 13.5631 13.5750 k = 0.1124 0.1816-0.0000 ( 4279 PWs) bands (ev): -13.7967 -13.7966 -13.3210 -13.3210 -10.7102 -10.7099 -9.7987 -9.7976 -8.8213 -8.8173 -8.5029 -8.4956 -3.8758 -3.8744 -2.9531 -2.9503 -2.3178 -2.3151 -0.7508 -0.7457 -0.5321 -0.5271 -0.0364 -0.0338 0.2014 0.2074 0.9359 0.9425 2.1567 2.1635 2.1800 2.1897 2.6354 2.6492 2.9549 2.9646 3.0900 3.0967 3.4806 3.4806 4.3003 4.3038 4.4248 4.4259 4.5903 4.5913 5.4379 5.4419 11.1580 11.1582 12.2488 12.2536 12.2822 12.2862 13.2539 13.2545 13.5518 13.5625 k = 0.1210 0.1955-0.0000 ( 4285 PWs) bands (ev): -13.7895 -13.7894 -13.3216 -13.3216 -10.6928 -10.6926 -9.8645 -9.8635 -8.8102 -8.8060 -8.4900 -8.4824 -3.8643 -3.8627 -2.8942 -2.8914 -2.2913 -2.2884 -0.7591 -0.7534 -0.5654 -0.5600 -0.0084 -0.0056 0.1757 0.1815 0.9018 0.9088 2.1201 2.1270 2.2503 2.2600 2.6197 2.6339 2.9490 2.9575 3.0474 3.0555 3.4924 3.4924 4.2795 4.2834 4.4342 4.4354 4.5674 4.5681 5.4222 5.4264 11.2169 11.2171 12.2389 12.2442 12.3188 12.3230 13.2420 13.2426 13.5440 13.5532 k = 0.1297 0.2095-0.0000 ( 4293 PWs) bands (ev): -13.7819 -13.7818 -13.3223 -13.3222 -10.6742 -10.6739 -9.9301 -9.9292 -8.7985 -8.7940 -8.4802 -8.4726 -3.8495 -3.8478 -2.8350 -2.8322 -2.2629 -2.2598 -0.7710 -0.7648 -0.6013 -0.5957 0.0178 0.0208 0.1608 0.1663 0.8648 0.8721 2.0817 2.0888 2.3190 2.3287 2.6035 2.6181 2.9348 2.9412 3.0131 3.0234 3.5058 3.5058 4.2574 4.2617 4.4446 4.4458 4.5423 4.5428 5.4057 5.4102 11.2779 11.2782 12.2281 12.2339 12.3580 12.3626 13.2289 13.2309 13.5403 13.5480 k = 0.1383 0.2235-0.0000 ( 4279 PWs) bands (ev): -13.7740 -13.7739 -13.3230 -13.3229 -10.6542 -10.6539 -9.9953 -9.9945 -8.7863 -8.7815 -8.4736 -8.4658 -3.8316 -3.8299 -2.7758 -2.7729 -2.2327 -2.2293 -0.7867 -0.7799 -0.6400 -0.6340 0.0380 0.0411 0.1610 0.1663 0.8249 0.8324 2.0419 2.0491 2.3859 2.3956 2.5872 2.6021 2.9041 2.9092 2.9956 3.0073 3.5211 3.5211 4.2338 4.2385 4.4558 4.4571 4.5153 4.5156 5.3885 5.3932 11.3408 11.3412 12.2166 12.2229 12.4003 12.4052 13.2151 13.2185 13.5408 13.5470 k = 0.1469 0.2374-0.0000 ( 4283 PWs) bands (ev): -13.7658 -13.7657 -13.3237 -13.3236 -10.6329 -10.6326 -10.0601 -10.0595 -8.7734 -8.7684 -8.4700 -8.4621 -3.8110 -3.8092 -2.7167 -2.7138 -2.2005 -2.1970 -0.8059 -0.7986 -0.6813 -0.6750 0.0492 0.0523 0.1792 0.1844 0.7819 0.7898 2.0010 2.0083 2.4507 2.4603 2.5708 2.5860 2.8611 2.8661 2.9910 3.0028 3.5383 3.5383 4.2090 4.2141 4.4680 4.4694 4.4864 4.4864 5.3704 5.3753 11.4053 11.4057 12.2045 12.2113 12.4456 12.4509 13.2009 13.2054 13.5456 13.5504 k = 0.1556 0.2514-0.0000 ( 4287 PWs) bands (ev): -13.7572 -13.7571 -13.3244 -13.3244 -10.6102 -10.6100 -10.1244 -10.1238 -8.7602 -8.7549 -8.4693 -8.4613 -3.7877 -3.7859 -2.6578 -2.6551 -2.1666 -2.1628 -0.8283 -0.8206 -0.7253 -0.7187 0.0544 0.0574 0.2121 0.2172 0.7359 0.7440 1.9593 1.9667 2.5130 2.5227 2.5547 2.5699 2.8132 2.8186 2.9919 3.0033 3.5576 3.5577 4.1829 4.1885 4.4553 4.4557 4.4813 4.4827 5.3514 5.3564 11.4709 11.4715 12.1918 12.1991 12.4943 12.4999 13.1864 13.1919 13.5543 13.5579 k = 0.1642 0.2654-0.0000 ( 4287 PWs) bands (ev): -13.7484 -13.7483 -13.3251 -13.3251 -10.5863 -10.5860 -10.1880 -10.1876 -8.7465 -8.7409 -8.4713 -8.4633 -3.7621 -3.7604 -2.5995 -2.5968 -2.1308 -2.1269 -0.8535 -0.8454 -0.7718 -0.7649 0.0587 0.0616 0.2540 0.2592 0.6868 0.6951 1.9173 1.9248 2.5383 2.5540 2.5733 2.5825 2.7640 2.7696 2.9952 3.0062 3.5792 3.5794 4.1557 4.1617 4.4226 4.4232 4.4955 4.4970 5.3313 5.3366 11.5375 11.5382 12.1789 12.1867 12.5464 12.5523 13.1719 13.1782 13.5665 13.5691 k = 0.1729 0.2793-0.0000 ( 4281 PWs) bands (ev): -13.7394 -13.7393 -13.3259 -13.3259 -10.5609 -10.5607 -10.2509 -10.2505 -8.7324 -8.7266 -8.4758 -8.4678 -3.7346 -3.7329 -2.5418 -2.5392 -2.0933 -2.0892 -0.8807 -0.8723 -0.8208 -0.8136 0.0647 0.0675 0.3016 0.3070 0.6346 0.6431 1.8752 1.8829 2.5227 2.5383 2.6304 2.6396 2.7148 2.7207 2.9998 3.0104 3.6031 3.6034 4.1275 4.1338 4.3883 4.3892 4.5108 4.5123 5.3102 5.3157 11.6049 11.6056 12.1659 12.1742 12.6020 12.6082 13.1578 13.1646 13.5818 13.5835 k = 0.1815 0.2933-0.0000 ( 4289 PWs) bands (ev): -13.7302 -13.7301 -13.3267 -13.3266 -10.5343 -10.5341 -10.3129 -10.3126 -8.7180 -8.7120 -8.4826 -8.4746 -3.7054 -3.7037 -2.4849 -2.4823 -2.0540 -2.0497 -0.9094 -0.9007 -0.8720 -0.8646 0.0734 0.0761 0.3534 0.3590 0.5793 0.5880 1.8333 1.8411 2.5071 2.5228 2.6657 2.6719 2.6852 2.6942 3.0052 3.0154 3.6294 3.6298 4.0982 4.1049 4.3525 4.3536 4.5271 4.5287 5.2880 5.2936 11.6727 11.6735 12.1529 12.1618 12.6610 12.6676 13.1442 13.1513 13.5994 13.6005 k = 0.1902 0.3073-0.0000 ( 4293 PWs) bands (ev): -13.7208 -13.7207 -13.3274 -13.3274 -10.5063 -10.5061 -10.3740 -10.3739 -8.7035 -8.6972 -8.4917 -8.4837 -3.6749 -3.6732 -2.4289 -2.4265 -2.0130 -2.0086 -0.9390 -0.9299 -0.9253 -0.9178 0.0848 0.0875 0.4083 0.4141 0.5209 0.5297 1.7920 1.7999 2.4918 2.5075 2.6186 2.6251 2.7364 2.7455 3.0110 3.0208 3.6582 3.6587 4.0681 4.0751 4.3153 4.3167 4.5446 4.5463 5.2647 5.2704 11.7408 11.7417 12.1403 12.1497 12.7234 12.7303 13.1316 13.1388 13.6190 13.6195 k = 0.1988 0.3212-0.0000 ( 4289 PWs) bands (ev): -13.7114 -13.7113 -13.3282 -13.3282 -10.4770 -10.4768 -10.4341 -10.4340 -8.6888 -8.6823 -8.5027 -8.4947 -3.6433 -3.6418 -2.3741 -2.3717 -1.9705 -1.9659 -0.9812 -0.9729 -0.9679 -0.9592 0.0989 0.1015 0.4593 0.4659 0.4683 0.4718 1.7515 1.7595 2.4764 2.4920 2.5732 2.5798 2.7852 2.7941 3.0171 3.0265 3.6893 3.6900 4.0371 4.0444 4.2769 4.2785 4.5632 4.5649 5.2402 5.2460 11.8092 11.8101 12.1281 12.1380 12.7887 12.7960 13.1202 13.1273 13.6398 13.6400 k = 0.2075 0.3352-0.0000 ( 4285 PWs) bands (ev): -13.7018 -13.7017 -13.3289 -13.3289 -10.4932 -10.4932 -10.4464 -10.4462 -8.6740 -8.6674 -8.5154 -8.5075 -3.6112 -3.6097 -2.3204 -2.3182 -1.9263 -1.9216 -1.0381 -1.0298 -0.9971 -0.9881 0.1152 0.1179 0.3950 0.4040 0.5255 0.5317 1.7119 1.7201 2.4605 2.4755 2.5308 2.5371 2.8314 2.8401 3.0232 3.0323 3.7228 3.7236 4.0054 4.0130 4.2374 4.2391 4.5829 4.5847 5.2146 5.2205 11.8777 11.8786 12.1165 12.1270 12.8562 12.8641 13.1109 13.1175 13.6613 13.6613 k = 0.2161 0.3492-0.0000 ( 4277 PWs) bands (ev): -13.6922 -13.6921 -13.3296 -13.3296 -10.5512 -10.5512 -10.4145 -10.4143 -8.6593 -8.6525 -8.5298 -8.5219 -3.5787 -3.5773 -2.2681 -2.2661 -1.8807 -1.8759 -1.0965 -1.0880 -1.0251 -1.0159 0.1336 0.1363 0.3277 0.3366 0.5870 0.5934 1.6735 1.6818 2.4425 2.4549 2.4946 2.4987 2.8751 2.8836 3.0293 3.0380 3.7583 3.7593 3.9730 3.9808 4.1969 4.1988 4.6037 4.6055 5.1878 5.1939 11.9463 11.9473 12.1058 12.1167 12.9241 12.9329 13.1053 13.1109 13.6828 13.6830 k = 0.2247 0.3631-0.0000 ( 4277 PWs) bands (ev): -13.6826 -13.6825 -13.3303 -13.3303 -10.6080 -10.6079 -10.3812 -10.3811 -8.6448 -8.6377 -8.5455 -8.5377 -3.5463 -3.5450 -2.2174 -2.2154 -1.8338 -1.8289 -1.1560 -1.1473 -1.0515 -1.0423 0.1536 0.1564 0.2576 0.2665 0.6500 0.6565 1.6363 1.6447 2.4192 2.4257 2.4679 2.4696 2.9166 2.9249 3.0352 3.0435 3.7958 3.7970 3.9401 3.9481 4.1556 4.1575 4.6256 4.6275 5.1600 5.1661 12.0150 12.0159 12.0961 12.1075 12.9866 12.9970 13.1086 13.1124 13.7041 13.7044 k = 0.2334 0.3771-0.0000 ( 4285 PWs) bands (ev): -13.6730 -13.6729 -13.3310 -13.3310 -10.6635 -10.6634 -10.3467 -10.3466 -8.6305 -8.6232 -8.5624 -8.5547 -3.5142 -3.5131 -2.1682 -2.1664 -1.7858 -1.7809 -1.2160 -1.2070 -1.0760 -1.0668 0.1747 0.1777 0.1852 0.1939 0.7140 0.7207 1.6005 1.6090 2.3891 2.3905 2.4466 2.4530 2.9562 2.9643 3.0408 3.0487 3.8349 3.8364 3.9068 3.9147 4.1137 4.1157 4.6485 4.6505 5.1311 5.1374 12.0835 12.0846 12.0876 12.0995 13.0275 13.0389 13.1367 13.1392 13.7238 13.7246 k = 0.2420 0.3911-0.0000 ( 4281 PWs) bands (ev): -13.6635 -13.6634 -13.3316 -13.3316 -10.7177 -10.7175 -10.3109 -10.3109 -8.6165 -8.6091 -8.5803 -8.5728 -3.4828 -3.4818 -2.1208 -2.1192 -1.7372 -1.7324 -1.2758 -1.2665 -1.0981 -1.0889 0.1096 0.1185 0.1975 0.2004 0.7789 0.7858 1.5660 1.5746 2.3544 2.3554 2.4314 2.4398 2.9942 3.0021 3.0460 3.0535 3.8695 3.8762 3.8790 3.8820 4.0713 4.0733 4.6725 4.6746 5.1013 5.1076 12.0801 12.0923 12.1526 12.1534 13.0395 13.0496 13.1963 13.1997 13.6683 13.6719 k = 0.2507 0.4050-0.0000 ( 4275 PWs) bands (ev): -13.6541 -13.6540 -13.3321 -13.3321 -10.7705 -10.7703 -10.2739 -10.2739 -8.6030 -8.5990 -8.5954 -8.5917 -3.4523 -3.4514 -2.0752 -2.0738 -1.6891 -1.6845 -1.3341 -1.3244 -1.1177 -1.1085 0.0322 0.0410 0.2207 0.2237 0.8443 0.8513 1.5328 1.5416 2.3192 2.3213 2.4192 2.4284 3.0310 3.0386 3.0506 3.0576 3.8380 3.8463 3.9182 3.9196 4.0289 4.0308 4.6975 4.6996 5.0707 5.0771 12.0741 12.0867 12.2214 12.2222 13.0395 13.0483 13.2700 13.2741 13.5978 13.6011 k = 0.2593 0.4190-0.0000 ( 4283 PWs) bands (ev): -13.6448 -13.6447 -13.3326 -13.3326 -10.8219 -10.8217 -10.2357 -10.2356 -8.6184 -8.6113 -8.5900 -8.5824 -3.4231 -3.4224 -2.0316 -2.0303 -1.6439 -1.6398 -1.3881 -1.3777 -1.1342 -1.1251 -0.0472 -0.0385 0.2444 0.2475 0.9099 0.9170 1.5009 1.5098 2.2855 2.2882 2.4088 2.4181 3.0543 3.0609 3.0668 3.0744 3.8033 3.8114 3.9610 3.9623 3.9870 3.9884 4.7233 4.7255 5.0394 5.0457 12.0694 12.0825 12.2902 12.2910 13.0361 13.0439 13.3482 13.3527 13.5263 13.5293 k = 0.2680 0.4330-0.0000 ( 4287 PWs) bands (ev): -13.6357 -13.6356 -13.3330 -13.3330 -10.8719 -10.8716 -10.1963 -10.1962 -8.6383 -8.6313 -8.5778 -8.5700 -3.3954 -3.3947 -1.9900 -1.9888 -1.6096 -1.6063 -1.4295 -1.4182 -1.1477 -1.1387 -0.1283 -0.1197 0.2684 0.2716 0.9753 0.9825 1.4701 1.4791 2.2536 2.2564 2.3997 2.4088 3.0573 3.0634 3.1020 3.1094 3.7681 3.7759 3.9440 3.9459 4.0052 4.0074 4.7499 4.7522 5.0074 5.0138 12.0663 12.0797 12.3590 12.3597 13.0317 13.0386 13.4275 13.4320 13.4546 13.4574 k = 0.2766 0.4469-0.0000 ( 4279 PWs) bands (ev): -13.6268 -13.6267 -13.3334 -13.3334 -10.9203 -10.9200 -10.1557 -10.1556 -8.6586 -8.6518 -8.5664 -8.5585 -3.3693 -3.3688 -1.9504 -1.9495 -1.6058 -1.6024 -1.4386 -1.4272 -1.1579 -1.1489 -0.2110 -0.2025 0.2923 0.2957 1.0404 1.0476 1.4403 1.4495 2.2234 2.2263 2.3916 2.4004 3.0591 3.0646 3.1369 3.1441 3.7326 3.7399 3.9031 3.9046 4.0497 4.0519 4.7771 4.7796 4.9749 4.9813 12.0646 12.0783 12.4277 12.4284 13.0269 13.0331 13.3832 13.3860 13.5058 13.5102 k = 0.2853 0.4609-0.0000 ( 4281 PWs) bands (ev): -13.6182 -13.6181 -13.3337 -13.3337 -10.9672 -10.9668 -10.1141 -10.1139 -8.6791 -8.6725 -8.5559 -8.5480 -3.3452 -3.3447 -1.9130 -1.9122 -1.6382 -1.6336 -1.4092 -1.3988 -1.1646 -1.1559 -0.2949 -0.2865 0.3161 0.3195 1.1047 1.1120 1.4114 1.4207 2.1951 2.1980 2.3846 2.3929 3.0596 3.0644 3.1717 3.1787 3.6967 3.7033 3.8633 3.8643 4.0948 4.0972 4.8050 4.8076 4.9420 4.9484 12.0645 12.0784 12.4963 12.4969 13.0219 13.0274 13.3130 13.3156 13.5806 13.5844 k = 0.2939 0.4749-0.0000 ( 4277 PWs) bands (ev): -13.6098 -13.6097 -13.3338 -13.3338 -11.0125 -11.0121 -10.0714 -10.0711 -8.6997 -8.6933 -8.5465 -8.5385 -3.3229 -3.3226 -1.8778 -1.8771 -1.6867 -1.6814 -1.3611 -1.3515 -1.1680 -1.1594 -0.3797 -0.3716 0.3394 0.3429 1.1681 1.1754 1.3831 1.3925 2.1687 2.1714 2.3786 2.3862 3.0584 3.0626 3.2066 3.2134 3.6605 3.6663 3.8250 3.8254 4.1402 4.1428 4.8333 4.8360 4.9089 4.9153 12.0658 12.0800 12.5646 12.5651 13.0167 13.0216 13.2443 13.2468 13.6476 13.6504 k = 0.3025 0.4888-0.0000 ( 4279 PWs) bands (ev): -13.6017 -13.6016 -13.3339 -13.3339 -11.0561 -11.0558 -10.0276 -10.0272 -8.7202 -8.7140 -8.5383 -8.5303 -3.3028 -3.3025 -1.8446 -1.8441 -1.7398 -1.7341 -1.3057 -1.2965 -1.1681 -1.1597 -0.4652 -0.4573 0.3621 0.3657 1.2303 1.2375 1.3553 1.3647 2.1441 2.1467 2.3735 2.3804 3.0554 3.0587 3.2418 3.2483 3.6241 3.6289 3.7885 3.7887 4.1860 4.1887 4.8618 4.8647 4.8758 4.8821 12.0686 12.0828 12.6325 12.6328 13.0113 13.0154 13.1777 13.1800 13.7002 13.7016 k = 0.3112 0.5028-0.0000 ( 4275 PWs) bands (ev): -13.5939 -13.5938 -13.3339 -13.3339 -11.0981 -11.0978 -9.9829 -9.9824 -8.7406 -8.7346 -8.5315 -8.5234 -3.2848 -3.2846 -1.8139 -1.8131 -1.7931 -1.7875 -1.2466 -1.2376 -1.1649 -1.1568 -0.5511 -0.5434 0.3839 0.3876 1.2909 1.2981 1.3276 1.3372 2.1215 2.1239 2.3693 2.3754 3.0502 3.0526 3.2773 3.2837 3.5878 3.5913 3.7537 3.7547 4.2320 4.2348 4.8426 4.8488 4.8906 4.8936 12.0726 12.0869 12.6999 12.7001 13.0054 13.0089 13.1136 13.1157 13.7335 13.7339 k = 0.3198 0.5168-0.0000 ( 4279 PWs) bands (ev): -13.5865 -13.5864 -13.3337 -13.3337 -11.1384 -11.1381 -9.9373 -9.9367 -8.7607 -8.7550 -8.5262 -8.5181 -3.2690 -3.2688 -1.8465 -1.8403 -1.7840 -1.7840 -1.1853 -1.1762 -1.1587 -1.1508 -0.6372 -0.6297 0.4048 0.4085 1.2998 1.3094 1.3499 1.3570 2.1008 2.1030 2.3660 2.3713 3.0425 3.0438 3.3132 3.3194 3.5519 3.5541 3.7213 3.7230 4.2781 4.2811 4.8096 4.8158 4.9193 4.9225 12.0778 12.0921 12.7665 12.7666 12.9990 13.0018 13.0524 13.0544 13.7509 13.7509 k = 0.3285 0.5307-0.0000 ( 4277 PWs) bands (ev): -13.5794 -13.5793 -13.3335 -13.3335 -11.1770 -11.1767 -9.8908 -9.8902 -8.7805 -8.7750 -8.5224 -8.5143 -3.2552 -3.2551 -1.8972 -1.8912 -1.7568 -1.7567 -1.1498 -1.1422 -1.1222 -1.1132 -0.7231 -0.7159 0.4245 0.4282 1.2716 1.2815 1.4068 1.4138 2.0821 2.0841 2.3635 2.3680 3.0319 3.0319 3.3496 3.3555 3.5167 3.5175 3.6915 3.6939 4.3242 4.3274 4.7769 4.7830 4.9479 4.9512 12.0840 12.0981 12.8320 12.8324 12.9920 12.9939 12.9951 12.9966 13.7590 13.7591 k = 0.3371 0.5447-0.0000 ( 4277 PWs) bands (ev): -13.5727 -13.5726 -13.3332 -13.3332 -11.2139 -11.2135 -9.8436 -9.8428 -8.7997 -8.7945 -8.5204 -8.5124 -3.2435 -3.2434 -1.9457 -1.9398 -1.7312 -1.7312 -1.1384 -1.1311 -1.0578 -1.0487 -0.8087 -0.8017 0.4429 0.4466 1.2430 1.2529 1.4616 1.4685 2.0654 2.0671 2.3619 2.3655 3.0168 3.0181 3.3862 3.3918 3.4823 3.4828 3.6644 3.6674 4.3703 4.3736 4.7447 4.7507 4.9762 4.9796 12.0910 12.1047 12.8956 12.8969 12.9411 12.9425 12.9851 12.9861 13.7067 13.7167 k = 0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.5664 -13.5663 -13.3327 -13.3327 -11.2490 -11.2486 -9.7957 -9.7948 -8.8185 -8.8135 -8.5202 -8.5122 -3.2337 -3.2336 -1.9913 -1.9855 -1.7073 -1.7072 -1.1249 -1.1179 -0.9925 -0.9833 -0.8934 -0.8868 0.4600 0.4637 1.2134 1.2236 1.5141 1.5208 2.0506 2.0521 2.3611 2.3637 2.9983 3.0009 3.4230 3.4282 3.4489 3.4504 3.6400 3.6434 4.4163 4.4198 4.7132 4.7190 5.0040 5.0075 12.0983 12.1115 12.8915 12.8922 12.9533 12.9582 12.9797 12.9830 13.6281 13.6383 k = 0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.5664 -13.5663 -13.3327 -13.3327 -11.2490 -11.2486 -9.7957 -9.7948 -8.8185 -8.8135 -8.5202 -8.5122 -3.2337 -3.2336 -1.9913 -1.9855 -1.7073 -1.7072 -1.1249 -1.1179 -0.9925 -0.9833 -0.8934 -0.8868 0.4600 0.4637 1.2134 1.2236 1.5141 1.5208 2.0506 2.0521 2.3611 2.3637 2.9983 3.0009 3.4230 3.4282 3.4489 3.4504 3.6400 3.6434 4.4163 4.4198 4.7132 4.7190 5.0040 5.0075 12.0983 12.1115 12.8915 12.8922 12.9533 12.9582 12.9797 12.9830 13.6281 13.6383 k = 0.3293 0.5587-0.0000 ( 4285 PWs) bands (ev): -13.5699 -13.5698 -13.3331 -13.3331 -11.2299 -11.2295 -9.8215 -9.8207 -8.8085 -8.8034 -8.5200 -8.5120 -3.2386 -3.2384 -1.9762 -1.9706 -1.7146 -1.7137 -1.1342 -1.1274 -1.0235 -1.0147 -0.8469 -0.8401 0.4503 0.4540 1.2306 1.2406 1.4857 1.4924 2.0590 2.0607 2.3614 2.3646 3.0073 3.0090 3.3993 3.4045 3.4705 3.4723 3.6531 3.6562 4.3922 4.3956 4.7297 4.7356 4.9901 4.9935 12.0953 12.1088 12.8947 12.8965 12.9397 12.9436 12.9830 12.9838 13.6647 13.6743 k = 0.3128 0.5587-0.0000 ( 4285 PWs) bands (ev): -13.5738 -13.5738 -13.3336 -13.3336 -11.2087 -11.2083 -9.8479 -9.8472 -8.7982 -8.7929 -8.5202 -8.5121 -3.2437 -3.2434 -1.9804 -1.9752 -1.7080 -1.7061 -1.1479 -1.1422 -1.0459 -1.0385 -0.7971 -0.7902 0.4385 0.4422 1.2503 1.2603 1.4545 1.4614 2.0695 2.0713 2.3617 2.3654 3.0123 3.0128 3.3764 3.3812 3.4936 3.4951 3.6675 3.6703 4.3687 4.3720 4.7458 4.7517 4.9778 4.9811 12.0945 12.1082 12.8609 12.8629 12.9469 12.9514 12.9912 12.9917 13.6872 13.6952 k = 0.2964 0.5587-0.0000 ( 4287 PWs) bands (ev): -13.5781 -13.5781 -13.3344 -13.3344 -11.1855 -11.1851 -9.8750 -9.8743 -8.7876 -8.7822 -8.5207 -8.5126 -3.2487 -3.2482 -2.0031 -1.9985 -1.6873 -1.6846 -1.1663 -1.1624 -1.0590 -1.0539 -0.7451 -0.7381 0.4251 0.4287 1.2724 1.2822 1.4209 1.4279 2.0819 2.0840 2.3618 2.3661 3.0110 3.0122 3.3577 3.3617 3.5154 3.5166 3.6828 3.6855 4.3462 4.3494 4.7608 4.7665 4.9676 4.9707 12.0959 12.1098 12.8210 12.8232 12.9468 12.9511 13.0029 13.0041 13.7010 13.7078 k = 0.2799 0.5587-0.0000 ( 4284 PWs) bands (ev): -13.5827 -13.5826 -13.3353 -13.3353 -11.1604 -11.1600 -9.9029 -9.9022 -8.7766 -8.7711 -8.5216 -8.5135 -3.2534 -3.2527 -2.0393 -2.0353 -1.6571 -1.6538 -1.1883 -1.1860 -1.0650 -1.0621 -0.6915 -0.6846 0.4102 0.4137 1.2962 1.3058 1.3856 1.3929 2.0960 2.0983 2.3615 2.3663 3.0031 3.0060 3.3441 3.3475 3.5347 3.5362 3.6990 3.7020 4.3251 4.3281 4.7739 4.7794 4.9603 4.9630 12.0998 12.1138 12.7813 12.7836 12.9392 12.9434 13.0124 13.0145 13.7149 13.7211 k = 0.2634 0.5587-0.0000 ( 4283 PWs) bands (ev): -13.5875 -13.5874 -13.3365 -13.3364 -11.1336 -11.1332 -9.9314 -9.9308 -8.7654 -8.7597 -8.5229 -8.5148 -3.2574 -3.2566 -2.0838 -2.0804 -1.6220 -1.6183 -1.2123 -1.2103 -1.0661 -1.0651 -0.6371 -0.6302 0.3942 0.3976 1.3176 1.3261 1.3527 1.3613 2.1115 2.1141 2.3605 2.3660 2.9889 2.9937 3.3357 3.3391 3.5509 3.5529 3.7161 3.7200 4.3057 4.3085 4.7842 4.7893 4.9566 4.9588 12.1062 12.1203 12.7428 12.7452 12.9269 12.9310 13.0165 13.0194 13.7324 13.7383 k = 0.2470 0.5587-0.0000 ( 4293 PWs) bands (ev): -13.5923 -13.5922 -13.3377 -13.3377 -11.1052 -11.1049 -9.9607 -9.9601 -8.7540 -8.7482 -8.5245 -8.5164 -3.2607 -3.2597 -2.1333 -2.1305 -1.5849 -1.5810 -1.2364 -1.2339 -1.0645 -1.0639 -0.5824 -0.5755 0.3775 0.3808 1.2998 1.3068 1.3592 1.3693 2.1280 2.1311 2.3587 2.3649 2.9693 2.9758 3.3319 3.3360 3.5637 3.5662 3.7345 3.7394 4.2881 4.2908 4.7913 4.7957 4.9570 4.9585 12.1151 12.1293 12.7064 12.7088 12.9110 12.9152 13.0146 13.0181 13.7535 13.7592 k = 0.2305 0.5587-0.0000 ( 4296 PWs) bands (ev): -13.5972 -13.5971 -13.3391 -13.3391 -11.0754 -11.0750 -9.9906 -9.9901 -8.7425 -8.7366 -8.5265 -8.5184 -3.2628 -3.2617 -2.1857 -2.1833 -1.5477 -1.5438 -1.2595 -1.2562 -1.0611 -1.0595 -0.5278 -0.5211 0.3606 0.3637 1.2598 1.2668 1.3881 1.3980 2.1452 2.1489 2.3560 2.3630 2.9454 2.9534 3.3317 3.3367 3.5730 3.5758 3.7542 3.7599 4.2725 4.2751 4.7950 4.7986 4.9615 4.9621 12.1265 12.1407 12.6723 12.6746 12.8923 12.8965 13.0074 13.0113 13.7755 13.7810 k = 0.2140 0.5587-0.0000 ( 4293 PWs) bands (ev): -13.6021 -13.6020 -13.3407 -13.3406 -11.0443 -11.0439 -10.0212 -10.0207 -8.7310 -8.7249 -8.5289 -8.5208 -3.2638 -3.2626 -2.2395 -2.2376 -1.5118 -1.5081 -1.2809 -1.2768 -1.0553 -1.0528 -0.4739 -0.4673 0.3440 0.3468 1.2164 1.2235 1.4205 1.4301 2.1624 2.1669 2.3524 2.3604 2.9187 2.9278 3.3338 3.3397 3.5791 3.5818 3.7749 3.7813 4.2589 4.2614 4.7957 4.7985 4.9692 4.9693 12.1402 12.1544 12.6409 12.6431 12.8712 12.8754 12.9957 13.0000 13.7932 13.7982 k = 0.1976 0.5587-0.0000 ( 4296 PWs) bands (ev): -13.6068 -13.6067 -13.3422 -13.3422 -11.0121 -11.0117 -10.0523 -10.0519 -8.7194 -8.7132 -8.5316 -8.5236 -3.2635 -3.2622 -2.2939 -2.2922 -1.4781 -1.4750 -1.3002 -1.2951 -1.0474 -1.0443 -0.4213 -0.4149 0.3282 0.3307 1.1712 1.1784 1.4548 1.4642 2.1788 2.1844 2.3483 2.3574 2.8904 2.9004 3.3372 3.3438 3.5824 3.5849 3.7963 3.8031 4.2472 4.2498 4.7942 4.7964 4.9789 4.9796 12.1563 12.1704 12.6125 12.6145 12.8481 12.8524 12.9805 12.9850 13.7992 13.8036 k = 0.1811 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6114 -13.6113 -13.3438 -13.3438 -10.9790 -10.9786 -10.0840 -10.0837 -8.7078 -8.7015 -8.5348 -8.5267 -3.2617 -3.2604 -2.3478 -2.3465 -1.4480 -1.4457 -1.3169 -1.3104 -1.0376 -1.0340 -0.3705 -0.3644 0.3142 0.3162 1.1246 1.1318 1.4905 1.4999 2.1932 2.2000 2.3446 2.3549 2.8616 2.8721 3.3407 3.3479 3.5836 3.5858 3.8178 3.8249 4.2373 4.2400 4.7915 4.7932 4.9901 4.9913 12.1744 12.1885 12.5873 12.5889 12.8237 12.8280 12.9625 12.9672 13.7914 13.7955 k = 0.1646 0.5587-0.0000 ( 4303 PWs) bands (ev): -13.6158 -13.6157 -13.3454 -13.3454 -10.9451 -10.9447 -10.1162 -10.1158 -8.6964 -8.6899 -8.5383 -8.5303 -3.2584 -3.2570 -2.4007 -2.3997 -1.4235 -1.4217 -1.3296 -1.3213 -1.0258 -1.0219 -0.3225 -0.3168 0.3028 0.3043 1.0768 1.0841 1.5276 1.5367 2.2037 2.2117 2.3427 2.3542 2.8331 2.8440 3.3435 3.3511 3.5833 3.5852 3.8391 3.8462 4.2288 4.2317 4.7884 4.7897 5.0020 5.0035 12.1943 12.2084 12.5653 12.5665 12.7986 12.8028 12.9423 12.9473 13.7748 13.7788 k = 0.1482 0.5587-0.0000 ( 4303 PWs) bands (ev): -13.6199 -13.6198 -13.3470 -13.3470 -10.9108 -10.9104 -10.1486 -10.1483 -8.6851 -8.6785 -8.5422 -8.5343 -3.2536 -3.2522 -2.4520 -2.4512 -1.4083 -1.4051 -1.3356 -1.3253 -1.0124 -1.0084 -0.2781 -0.2730 0.2952 0.2959 1.0281 1.0354 1.5656 1.5745 2.2083 2.2171 2.3448 2.3570 2.8056 2.8166 3.3451 3.3529 3.5822 3.5840 3.8597 3.8668 4.2215 4.2246 4.7853 4.7864 5.0139 5.0156 12.2158 12.2297 12.5466 12.5472 12.7734 12.7775 12.9204 12.9256 13.7545 13.7583 k = 0.1317 0.5587-0.0000 ( 4298 PWs) bands (ev): -13.6236 -13.6236 -13.3485 -13.3485 -10.8763 -10.8759 -10.1812 -10.1809 -8.6740 -8.6673 -8.5465 -8.5386 -3.2475 -3.2461 -2.5009 -2.5004 -1.4035 -1.3997 -1.3319 -1.3212 -0.9976 -0.9937 -0.2385 -0.2341 0.2924 0.2926 0.9788 0.9861 1.6043 1.6130 2.2054 2.2141 2.3525 2.3644 2.7796 2.7905 3.3453 3.3529 3.5808 3.5826 3.8795 3.8863 4.2151 4.2184 4.7827 4.7835 5.0254 5.0271 12.2385 12.2522 12.5310 12.5313 12.7489 12.7529 12.8971 12.9025 13.7335 13.7371 k = 0.1153 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6271 -13.6270 -13.3499 -13.3499 -10.8419 -10.8416 -10.2136 -10.2133 -8.6631 -8.6563 -8.5513 -8.5434 -3.2401 -3.2387 -2.5471 -2.5467 -1.4061 -1.4029 -1.3211 -1.3117 -0.9819 -0.9782 -0.2047 -0.2012 0.2950 0.2961 0.9291 0.9363 1.6435 1.6519 2.1950 2.2030 2.3653 2.3762 2.7554 2.7660 3.3439 3.3511 3.5797 3.5814 3.8980 3.9045 4.2095 4.2129 4.7806 4.7813 5.0360 5.0377 12.2619 12.2753 12.5177 12.5188 12.7260 12.7298 12.8727 12.8782 13.7133 13.7165 k = 0.0988 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6301 -13.6301 -13.3512 -13.3511 -10.8081 -10.8078 -10.2455 -10.2453 -8.6525 -8.6457 -8.5565 -8.5486 -3.2317 -3.2304 -2.5897 -2.5894 -1.4117 -1.4094 -1.3087 -1.3009 -0.9660 -0.9626 -0.1777 -0.1749 0.3045 0.3066 0.8794 0.8866 1.6826 1.6907 2.1784 2.1857 2.3813 2.3910 2.7333 2.7433 3.3412 3.3478 3.5790 3.5807 3.9151 3.9211 4.2043 4.2077 4.7791 4.7797 5.0456 5.0472 12.2855 12.2986 12.5068 12.5091 12.7056 12.7093 12.8474 12.8531 13.6947 13.6975 k = 0.0823 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6327 -13.6327 -13.3523 -13.3523 -10.7754 -10.7752 -10.2765 -10.2763 -8.6423 -8.6353 -8.5620 -8.5543 -3.2227 -3.2216 -2.6281 -2.6279 -1.4179 -1.4163 -1.2973 -1.2910 -0.9506 -0.9477 -0.1575 -0.1555 0.3211 0.3241 0.8304 0.8374 1.7212 1.7289 2.1573 2.1639 2.3987 2.4071 2.7135 2.7227 3.3377 3.3435 3.5789 3.5805 3.9305 3.9358 4.1997 4.2029 4.7782 4.7787 5.0539 5.0554 12.3087 12.3213 12.4978 12.5013 12.6889 12.6926 12.8217 12.8275 13.6782 13.6806 k = 0.0659 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6349 -13.6349 -13.3532 -13.3532 -10.7448 -10.7446 -10.3056 -10.3054 -8.6324 -8.6253 -8.5681 -8.5604 -3.2138 -3.2128 -2.6614 -2.6613 -1.4236 -1.4226 -1.2878 -1.2829 -0.9365 -0.9341 -0.1436 -0.1423 0.3440 0.3476 0.7830 0.7896 1.7586 1.7657 2.1334 2.1394 2.4158 2.4230 2.6962 2.7044 3.3338 3.3387 3.5792 3.5805 3.9439 3.9485 4.1956 4.1984 4.7778 4.7782 5.0609 5.0621 12.3308 12.3427 12.4899 12.4946 12.6771 12.6810 12.7961 12.8019 13.6643 13.6663 k = 0.0494 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6366 -13.6366 -13.3540 -13.3540 -10.7175 -10.7173 -10.3317 -10.3316 -8.6228 -8.6157 -8.5746 -8.5669 -3.2055 -3.2047 -2.6889 -2.6887 -1.4284 -1.4276 -1.2804 -1.2767 -0.9245 -0.9226 -0.1349 -0.1342 0.3710 0.3750 0.7385 0.7445 1.7935 1.7998 2.1087 2.1140 2.4315 2.4373 2.6818 2.6886 3.3303 3.3340 3.5797 3.5808 3.9550 3.9586 4.1921 4.1945 4.7777 4.7780 5.0664 5.0674 12.3512 12.3618 12.4824 12.4879 12.6712 12.6755 12.7712 12.7769 13.6533 13.6548 k = 0.0329 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6379 -13.6379 -13.3545 -13.3545 -10.6952 -10.6951 -10.3531 -10.3530 -8.6137 -8.6065 -8.5815 -8.5739 -3.1988 -3.1982 -2.7094 -2.7093 -1.4318 -1.4314 -1.2749 -1.2726 -0.9153 -0.9140 -0.1300 -0.1296 0.3987 0.4024 0.6998 0.7048 1.8239 1.8289 2.0860 2.0902 2.4445 2.4486 2.6711 2.6760 3.3275 3.3300 3.5803 3.5810 3.9634 3.9660 4.1896 4.1913 4.7778 4.7780 5.0705 5.0711 12.3688 12.3774 12.4755 12.4809 12.6717 12.6760 12.7484 12.7537 13.6454 13.6464 k = 0.0165 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6386 -13.6386 -13.3549 -13.3548 -10.6803 -10.6802 -10.3674 -10.3674 -8.6050 -8.5977 -8.5888 -8.5814 -3.1942 -3.1939 -2.7222 -2.7221 -1.4339 -1.4337 -1.2715 -1.2703 -0.9093 -0.9087 -0.1276 -0.1274 0.4215 0.4239 0.6720 0.6750 1.8463 1.8492 2.0693 2.0718 2.4534 2.4557 2.6647 2.6674 3.3259 3.3272 3.5808 3.5812 3.9689 3.9702 4.1881 4.1890 4.7779 4.7780 5.0730 5.0733 12.3821 12.3872 12.4707 12.4743 12.6772 12.6807 12.7303 12.7343 13.6407 13.6412 k = 0.0000 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6389 -13.6389 -13.3550 -13.3550 -10.6749 -10.6749 -10.3725 -10.3725 -8.5968 -8.5968 -8.5892 -8.5892 -3.1925 -3.1925 -2.7265 -2.7265 -1.4346 -1.4346 -1.2700 -1.2700 -0.9071 -0.9071 -0.1268 -0.1268 0.4316 0.4316 0.6625 0.6625 1.8557 1.8557 2.0638 2.0638 2.4574 2.4574 2.6634 2.6634 3.3258 3.3258 3.5811 3.5811 3.9712 3.9712 4.1879 4.1879 4.7780 4.7780 5.0739 5.0739 12.3890 12.3890 12.4702 12.4702 12.6827 12.6827 12.7240 12.7240 13.6393 13.6393 k = 0.0000 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6389 -13.6389 -13.3550 -13.3550 -10.6749 -10.6749 -10.3725 -10.3725 -8.5968 -8.5968 -8.5892 -8.5892 -3.1925 -3.1925 -2.7265 -2.7265 -1.4346 -1.4346 -1.2700 -1.2700 -0.9071 -0.9071 -0.1268 -0.1268 0.4316 0.4316 0.6625 0.6625 1.8557 1.8557 2.0638 2.0638 2.4574 2.4574 2.6634 2.6634 3.3258 3.3258 3.5811 3.5811 3.9712 3.9712 4.1879 4.1879 4.7780 4.7780 5.0739 5.0739 12.3890 12.3890 12.4702 12.4702 12.6827 12.6827 12.7240 12.7240 13.6393 13.6393 k = 0.0000 0.5587 0.0163 ( 4314 PWs) bands (ev): -13.6387 -13.6387 -13.3551 -13.3551 -10.6741 -10.6741 -10.3719 -10.3718 -8.5985 -8.5983 -8.5909 -8.5908 -3.1925 -3.1924 -2.7265 -2.7264 -1.4350 -1.4347 -1.2673 -1.2670 -0.9040 -0.9036 -0.1270 -0.1270 0.4305 0.4305 0.6611 0.6612 1.8548 1.8548 2.0640 2.0641 2.4563 2.4564 2.6643 2.6643 3.3265 3.3266 3.5811 3.5813 3.9703 3.9703 4.1883 4.1885 4.7779 4.7780 5.0736 5.0736 12.3826 12.3828 12.4638 12.4641 12.6813 12.6815 12.7298 12.7298 13.6441 13.6442 k = 0.0000 0.5587 0.0326 ( 4306 PWs) bands (ev): -13.6380 -13.6380 -13.3554 -13.3554 -10.6716 -10.6716 -10.3699 -10.3698 -8.6033 -8.6031 -8.5958 -8.5957 -3.1924 -3.1921 -2.7265 -2.7262 -1.4358 -1.4353 -1.2590 -1.2584 -0.8943 -0.8936 -0.1275 -0.1275 0.4271 0.4272 0.6571 0.6572 1.8520 1.8521 2.0648 2.0649 2.4534 2.4534 2.6670 2.6670 3.3288 3.3289 3.5814 3.5817 3.9675 3.9677 4.1897 4.1901 4.7778 4.7779 5.0726 5.0726 12.3651 12.3654 12.4455 12.4461 12.6773 12.6778 12.7461 12.7461 13.6582 13.6584 k = 0.0000 0.5587 0.0489 ( 4298 PWs) bands (ev): -13.6370 -13.6369 -13.3559 -13.3559 -10.6674 -10.6674 -10.3666 -10.3665 -8.6114 -8.6110 -8.6039 -8.6038 -3.1920 -3.1916 -2.7264 -2.7260 -1.4371 -1.4364 -1.2452 -1.2443 -0.8782 -0.8771 -0.1284 -0.1284 0.4217 0.4218 0.6504 0.6507 1.8474 1.8475 2.0659 2.0661 2.4485 2.4486 2.6713 2.6713 3.3326 3.3327 3.5817 3.5822 3.9630 3.9631 4.1920 4.1926 4.7776 4.7778 5.0710 5.0710 12.3392 12.3395 12.4166 12.4174 12.6708 12.6715 12.7700 12.7701 13.6801 13.6804 k = 0.0000 0.5587 0.0652 ( 4302 PWs) bands (ev): -13.6355 -13.6354 -13.3566 -13.3566 -10.6616 -10.6616 -10.3620 -10.3618 -8.6226 -8.6222 -8.6150 -8.6149 -3.1914 -3.1908 -2.7263 -2.7258 -1.4387 -1.4377 -1.2261 -1.2249 -0.8559 -0.8545 -0.1297 -0.1297 0.4144 0.4145 0.6413 0.6417 1.8411 1.8413 2.0674 2.0676 2.4420 2.4421 2.6770 2.6771 3.3379 3.3381 3.5821 3.5826 3.9565 3.9568 4.1952 4.1960 4.7773 4.7775 5.0687 5.0687 12.3079 12.3083 12.3789 12.3800 12.6619 12.6629 12.7989 12.7990 13.7075 13.7077 k = 0.0000 0.5587 0.0815 ( 4302 PWs) bands (ev): -13.6336 -13.6335 -13.3575 -13.3575 -10.6542 -10.6542 -10.3560 -10.3558 -8.6371 -8.6367 -8.6290 -8.6289 -3.1905 -3.1898 -2.7261 -2.7256 -1.4403 -1.4391 -1.2019 -1.2005 -0.8277 -0.8260 -0.1316 -0.1315 0.4056 0.4058 0.6299 0.6304 1.8333 1.8336 2.0690 2.0692 2.4340 2.4341 2.6840 2.6840 3.3449 3.3450 3.5822 3.5829 3.9481 3.9484 4.1993 4.2002 4.7768 4.7771 5.0657 5.0657 12.2734 12.2738 12.3345 12.3358 12.6510 12.6521 12.8306 12.8308 13.7379 13.7381 k = 0.0000 0.5587 0.0978 ( 4300 PWs) bands (ev): -13.6313 -13.6312 -13.3587 -13.3586 -10.6451 -10.6451 -10.3488 -10.3485 -8.6549 -8.6544 -8.6457 -8.6457 -3.1892 -3.1884 -2.7259 -2.7253 -1.4418 -1.4405 -1.1732 -1.1714 -0.7938 -0.7918 -0.1340 -0.1340 0.3957 0.3959 0.6164 0.6169 1.8241 1.8244 2.0704 2.0707 2.4249 2.4250 2.6918 2.6919 3.3534 3.3536 3.5820 3.5828 3.9377 3.9381 4.2041 4.2052 4.7761 4.7765 5.0621 5.0621 12.2374 12.2379 12.2854 12.2870 12.6382 12.6396 12.8636 12.8640 13.7688 13.7689 k = 0.0000 0.5587 0.1141 ( 4300 PWs) bands (ev): -13.6286 -13.6285 -13.3600 -13.3600 -10.6343 -10.6343 -10.3402 -10.3399 -8.6757 -8.6753 -8.6651 -8.6650 -3.1874 -3.1865 -2.7257 -2.7250 -1.4431 -1.4417 -1.1402 -1.1382 -0.7546 -0.7525 -0.1372 -0.1370 0.3851 0.3853 0.6010 0.6016 1.8137 1.8141 2.0715 2.0718 2.4150 2.4151 2.7003 2.7004 3.3636 3.3638 3.5812 3.5822 3.9252 3.9257 4.2094 4.2107 4.7753 4.7757 5.0578 5.0578 12.2010 12.2017 12.2334 12.2356 12.6240 12.6255 12.8969 12.8974 13.7979 13.7980 k = 0.0000 0.5587 0.1304 ( 4294 PWs) bands (ev): -13.6255 -13.6254 -13.3616 -13.3615 -10.6220 -10.6219 -10.3303 -10.3300 -8.6996 -8.6992 -8.6870 -8.6868 -3.1851 -3.1841 -2.7255 -2.7248 -1.4440 -1.4425 -1.1036 -1.1013 -0.7105 -0.7081 -0.1411 -0.1409 0.3744 0.3748 0.5839 0.5847 1.8022 1.8026 2.0718 2.0721 2.4047 2.4048 2.7092 2.7092 3.3754 3.3756 3.5797 3.5807 3.9106 3.9111 4.2152 4.2167 4.7742 4.7746 5.0528 5.0529 12.1643 12.1660 12.1806 12.1839 12.6087 12.6104 12.9297 12.9305 13.8233 13.8237 k = 0.0000 0.5587 0.1467 ( 4298 PWs) bands (ev): -13.6220 -13.6219 -13.3634 -13.3633 -10.6079 -10.6079 -10.3191 -10.3187 -8.7264 -8.7260 -8.7113 -8.7109 -3.1822 -3.1811 -2.7254 -2.7246 -1.4443 -1.4428 -1.0640 -1.0614 -0.6617 -0.6593 -0.1459 -0.1457 0.3643 0.3648 0.5655 0.5663 1.7898 1.7903 2.0712 2.0715 2.3944 2.3944 2.7179 2.7180 3.3889 3.3890 3.5772 3.5783 3.8938 3.8943 4.2213 4.2229 4.7728 4.7732 5.0472 5.0473 12.1233 12.1252 12.1343 12.1381 12.5926 12.5944 12.9615 12.9626 13.8442 13.8448 k = 0.0000 0.5587 0.1629 ( 4294 PWs) bands (ev): -13.6182 -13.6181 -13.3654 -13.3653 -10.5923 -10.5923 -10.3066 -10.3062 -8.7558 -8.7555 -8.7377 -8.7373 -3.1785 -3.1773 -2.7254 -2.7246 -1.4441 -1.4424 -1.0221 -1.0193 -0.6088 -0.6061 -0.1517 -0.1513 0.3555 0.3561 0.5460 0.5469 1.7767 1.7773 2.0693 2.0695 2.3844 2.3845 2.7264 2.7265 3.4039 3.4041 3.5735 3.5747 3.8746 3.8752 4.2274 4.2292 4.7711 4.7716 5.0409 5.0410 12.0744 12.0745 12.1018 12.1038 12.5761 12.5781 12.9918 12.9931 13.8601 13.8610 k = 0.0000 0.5587 0.1792 ( 4298 PWs) bands (ev): -13.6140 -13.6139 -13.3676 -13.3675 -10.5751 -10.5751 -10.2928 -10.2924 -8.7878 -8.7875 -8.7664 -8.7658 -3.1741 -3.1728 -2.7255 -2.7247 -1.4431 -1.4414 -0.9788 -0.9758 -0.5519 -0.5492 -0.1584 -0.1578 0.3487 0.3494 0.5256 0.5267 1.7629 1.7636 2.0657 2.0659 2.3752 2.3753 2.7344 2.7345 3.4206 3.4208 3.5684 3.5697 3.8531 3.8538 4.2333 4.2352 4.7692 4.7697 5.0339 5.0341 12.0251 12.0258 12.0730 12.0745 12.5597 12.5618 13.0200 13.0217 13.8715 13.8726 k = 0.0000 0.5587 0.1955 ( 4296 PWs) bands (ev): -13.6095 -13.6094 -13.3700 -13.3699 -10.5563 -10.5563 -10.2777 -10.2772 -8.8221 -8.8218 -8.7970 -8.7964 -3.1688 -3.1675 -2.7258 -2.7251 -1.4412 -1.4395 -0.9353 -0.9320 -0.4917 -0.4889 -0.1657 -0.1650 0.3446 0.3455 0.5048 0.5060 1.7487 1.7494 2.0602 2.0604 2.3671 2.3672 2.7415 2.7417 3.4389 3.4390 3.5619 3.5633 3.8292 3.8299 4.2387 4.2408 4.7670 4.7676 5.0264 5.0265 11.9790 11.9801 12.0477 12.0490 12.5435 12.5458 13.0458 13.0478 13.8791 13.8803 k = 0.0000 0.5587 0.2118 ( 4300 PWs) bands (ev): -13.6046 -13.6045 -13.3727 -13.3726 -10.5359 -10.5359 -10.2614 -10.2608 -8.8586 -8.8583 -8.8294 -8.8287 -3.1627 -3.1613 -2.7265 -2.7258 -1.4385 -1.4367 -0.8925 -0.8891 -0.4284 -0.4255 -0.1735 -0.1726 0.3441 0.3452 0.4839 0.4853 1.7341 1.7349 2.0527 2.0528 2.3603 2.3604 2.7477 2.7480 3.4586 3.4586 3.5537 3.5552 3.8028 3.8037 4.2434 4.2455 4.7647 4.7653 5.0182 5.0184 11.9369 11.9382 12.0262 12.0275 12.5280 12.5304 13.0685 13.0709 13.8837 13.8851 k = 0.0000 0.5587 0.2281 ( 4296 PWs) bands (ev): -13.5995 -13.5994 -13.3756 -13.3755 -10.5140 -10.5139 -10.2438 -10.2432 -8.8970 -8.8968 -8.8635 -8.8627 -3.1556 -3.1542 -2.7275 -2.7268 -1.4348 -1.4330 -0.8520 -0.8485 -0.3628 -0.3598 -0.1811 -0.1799 0.3479 0.3490 0.4632 0.4648 1.7192 1.7201 2.0430 2.0431 2.3550 2.3552 2.7528 2.7531 3.4796 3.4797 3.5438 3.5454 3.7741 3.7750 4.2471 4.2493 4.7624 4.7630 5.0095 5.0097 11.8996 11.9010 12.0091 12.0103 12.5135 12.5159 13.0879 13.0906 13.8863 13.8877 k = 0.0000 0.5587 0.2444 ( 4298 PWs) bands (ev): -13.5941 -13.5939 -13.3787 -13.3786 -10.4905 -10.4905 -10.2249 -10.2243 -8.9372 -8.9369 -8.8991 -8.8983 -3.1477 -3.1462 -2.7289 -2.7283 -1.4300 -1.4281 -0.8153 -0.8117 -0.2953 -0.2922 -0.1877 -0.1863 0.3565 0.3578 0.4434 0.4450 1.7042 1.7051 2.0312 2.0312 2.3512 2.3514 2.7566 2.7570 3.5016 3.5020 3.5322 3.5340 3.7431 3.7441 4.2495 4.2517 4.7601 4.7606 5.0002 5.0005 11.8676 11.8691 11.9965 11.9978 12.5001 12.5026 13.1034 13.1065 13.8874 13.8887 k = 0.0000 0.5587 0.2607 ( 4302 PWs) bands (ev): -13.5884 -13.5882 -13.3820 -13.3819 -10.4655 -10.4655 -10.2049 -10.2042 -8.9789 -8.9787 -8.9360 -8.9352 -3.1388 -3.1373 -2.7308 -2.7303 -1.4240 -1.4221 -0.7841 -0.7805 -0.2269 -0.2237 -0.1925 -0.1907 0.3704 0.3719 0.4248 0.4267 1.6889 1.6899 2.0173 2.0174 2.3488 2.3491 2.7591 2.7596 3.5182 3.5186 3.5256 3.5273 3.7099 3.7110 4.2503 4.2526 4.7579 4.7585 4.9905 4.9907 11.8413 11.8429 11.9888 11.9901 12.4882 12.4907 13.1146 13.1181 13.8637 13.8649 k = 0.0000 0.5587 0.2770 ( 4298 PWs) bands (ev): -13.5824 -13.5823 -13.3856 -13.3855 -10.4390 -10.4390 -10.1836 -10.1829 -9.0221 -9.0219 -8.9741 -8.9732 -3.1289 -3.1274 -2.7333 -2.7329 -1.4168 -1.4149 -0.7598 -0.7562 -0.1946 -0.1927 -0.1581 -0.1551 0.3902 0.3917 0.4086 0.4107 1.6736 1.6747 2.0016 2.0016 2.3478 2.3482 2.7602 2.7607 3.5036 3.5046 3.5496 3.5497 3.6749 3.6760 4.2492 4.2516 4.7562 4.7567 4.9803 4.9806 11.8212 11.8228 11.9861 11.9875 12.4778 12.4803 13.1212 13.1251 13.8072 13.8085 k = 0.0000 0.5587 0.2933 ( 4294 PWs) bands (ev): -13.5763 -13.5761 -13.3894 -13.3893 -10.4111 -10.4111 -10.1612 -10.1605 -9.0664 -9.0662 -9.0133 -9.0123 -3.1182 -3.1167 -2.7365 -2.7361 -1.4083 -1.4063 -0.7437 -0.7402 -0.1930 -0.1907 -0.0915 -0.0884 0.3959 0.3981 0.4162 0.4176 1.6583 1.6594 1.9842 1.9842 2.3480 2.3484 2.7597 2.7603 3.4866 3.4877 3.5734 3.5736 3.6392 3.6402 4.2462 4.2486 4.7549 4.7554 4.9699 4.9702 11.8075 11.8091 11.9886 11.9900 12.4691 12.4717 13.1228 13.1271 13.7474 13.7488 k = 0.0000 0.5587 0.3096 ( 4298 PWs) bands (ev): -13.5699 -13.5698 -13.3935 -13.3934 -10.3818 -10.3818 -10.1377 -10.1369 -9.1117 -9.1115 -9.0532 -9.0523 -3.1066 -3.1051 -2.7404 -2.7402 -1.3984 -1.3964 -0.7363 -0.7331 -0.1876 -0.1849 -0.0289 -0.0257 0.3890 0.3913 0.4482 0.4496 1.6430 1.6441 1.9653 1.9653 2.3493 2.3497 2.7576 2.7583 3.4681 3.4691 3.5848 3.5864 3.6148 3.6150 4.2411 4.2434 4.7542 4.7547 4.9591 4.9594 11.8004 11.8020 11.9962 11.9976 12.4622 12.4647 13.1190 13.1237 13.6854 13.6869 k = 0.0000 0.5587 0.3259 ( 4304 PWs) bands (ev): -13.5634 -13.5632 -13.3978 -13.3976 -10.3511 -10.3511 -10.1131 -10.1123 -9.1577 -9.1576 -9.0939 -9.0929 -3.0942 -3.0926 -2.7452 -2.7450 -1.3871 -1.3850 -0.7376 -0.7345 -0.1786 -0.1757 0.0262 0.0292 0.3909 0.3932 0.4862 0.4875 1.6277 1.6288 1.9449 1.9449 2.3515 2.3520 2.7537 2.7545 3.4481 3.4490 3.5536 3.5555 3.6325 3.6328 4.2338 4.2360 4.7542 4.7546 4.9481 4.9485 11.8001 11.8016 12.0089 12.0103 12.4571 12.4596 13.1096 13.1145 13.6222 13.6237 k = 0.0000 0.5587 0.3422 ( 4308 PWs) bands (ev): -13.5567 -13.5566 -13.4023 -13.4021 -10.3191 -10.3190 -10.0875 -10.0867 -9.2044 -9.2042 -9.1351 -9.1340 -3.0810 -3.0794 -2.7508 -2.7507 -1.3742 -1.3721 -0.7467 -0.7438 -0.1669 -0.1638 0.0695 0.0721 0.4058 0.4078 0.5297 0.5309 1.6125 1.6137 1.9232 1.9232 2.3546 2.3552 2.7480 2.7489 3.4267 3.4276 3.5140 3.5159 3.6587 3.6588 4.2243 4.2265 4.7550 4.7554 4.9371 4.9374 11.8065 11.8080 12.0264 12.0278 12.4539 12.4563 13.0939 13.0991 13.5592 13.5606 k = 0.0000 0.5587 0.3585 ( 4306 PWs) bands (ev): -13.5499 -13.5497 -13.4070 -13.4069 -10.2858 -10.2857 -10.0611 -10.0602 -9.2513 -9.2512 -9.1766 -9.1755 -3.0671 -3.0655 -2.7574 -2.7573 -1.3598 -1.3577 -0.7625 -0.7597 -0.1531 -0.1499 0.0978 0.0998 0.4363 0.4379 0.5780 0.5791 1.5974 1.5986 1.9001 1.9001 2.3587 2.3593 2.7403 2.7412 3.4044 3.4051 3.4734 3.4755 3.6860 3.6860 4.2126 4.2147 4.7566 4.7570 4.9260 4.9263 11.8196 11.8210 12.0484 12.0499 12.4524 12.4547 13.0715 13.0766 13.4982 13.4995 k = 0.0000 0.5587 0.3748 ( 4304 PWs) bands (ev): -13.5430 -13.5428 -13.4120 -13.4118 -10.2513 -10.2512 -10.0338 -10.0330 -9.2984 -9.2982 -9.2183 -9.2172 -3.0525 -3.0509 -2.7650 -2.7648 -1.3437 -1.3416 -0.7836 -0.7809 -0.1383 -0.1351 0.1114 0.1127 0.4813 0.4823 0.6302 0.6310 1.5826 1.5838 1.8757 1.8757 2.3638 2.3644 2.7303 2.7314 3.3814 3.3820 3.4332 3.4354 3.7138 3.7138 4.1989 4.2009 4.7591 4.7593 4.9149 4.9153 11.8393 11.8406 12.0744 12.0759 12.4525 12.4547 13.0415 13.0465 13.4412 13.4422 k = 0.0000 0.5587 0.3911 ( 4306 PWs) bands (ev): -13.5360 -13.5358 -13.4172 -13.4170 -10.2157 -10.2156 -10.0060 -10.0051 -9.3452 -9.3450 -9.2600 -9.2589 -3.0373 -3.0358 -2.7735 -2.7732 -1.3260 -1.3239 -0.8088 -0.8062 -0.1230 -0.1198 0.1140 0.1146 0.5365 0.5371 0.6850 0.6855 1.5681 1.5694 1.8498 1.8499 2.3701 2.3706 2.7180 2.7191 3.3581 3.3585 3.3943 3.3966 3.7417 3.7418 4.1834 4.1853 4.7623 4.7625 4.9039 4.9043 11.8653 11.8665 12.1038 12.1054 12.4542 12.4562 13.0033 13.0079 13.3905 13.3909 k = 0.0000 0.5587 0.4074 ( 4314 PWs) bands (ev): -13.5289 -13.5287 -13.4226 -13.4224 -10.1791 -10.1790 -9.9778 -9.9770 -9.3914 -9.3912 -9.3015 -9.3004 -3.0217 -3.0201 -2.7831 -2.7827 -1.3067 -1.3045 -0.8371 -0.8346 -0.1077 -0.1046 0.1095 0.1096 0.5973 0.5975 0.7409 0.7412 1.5543 1.5556 1.8224 1.8225 2.3776 2.3782 2.7031 2.7043 3.3350 3.3352 3.3575 3.3600 3.7697 3.7699 4.1661 4.1679 4.7662 4.7663 4.8931 4.8935 11.8973 11.8985 12.1358 12.1374 12.4571 12.4590 12.9567 12.9608 13.3473 13.3477 k = 0.0000 0.5587 0.4237 ( 4312 PWs) bands (ev): -13.5217 -13.5215 -13.4282 -13.4280 -10.1416 -10.1415 -9.9497 -9.9489 -9.4365 -9.4363 -9.3427 -9.3416 -3.0056 -3.0041 -2.7936 -2.7930 -1.2858 -1.2835 -0.8676 -0.8651 -0.0926 -0.0896 0.1005 0.1009 0.6601 0.6601 0.7963 0.7964 1.5416 1.5428 1.7933 1.7935 2.3868 2.3873 2.6856 2.6868 3.3124 3.3125 3.3237 3.3263 3.7977 3.7980 4.1473 4.1490 4.7708 4.7709 4.8825 4.8829 11.9351 11.9360 12.1694 12.1709 12.4610 12.4627 12.9025 12.9058 13.3127 13.3139 k = 0.0000 0.5587 0.4400 ( 4306 PWs) bands (ev): -13.5146 -13.5144 -13.4340 -13.4338 -10.1033 -10.1032 -9.9224 -9.9215 -9.4798 -9.4796 -9.3832 -9.3821 -2.9892 -2.9878 -2.8050 -2.8044 -1.2632 -1.2609 -0.8995 -0.8971 -0.0777 -0.0748 0.0891 0.0898 0.7221 0.7222 0.8493 0.8493 1.5306 1.5318 1.7627 1.7629 2.3977 2.3983 2.6655 2.6667 3.2906 3.2908 3.2938 3.2967 3.8256 3.8260 4.1272 4.1288 4.7760 4.7760 4.8722 4.8726 11.9779 11.9788 12.2032 12.2047 12.4657 12.4670 12.8422 12.8448 13.2875 13.2894 k = 0.0000 0.5587 0.4563 ( 4298 PWs) bands (ev): -13.5074 -13.5072 -13.4399 -13.4398 -10.0646 -10.0645 -9.8968 -9.8960 -9.5201 -9.5198 -9.4229 -9.4218 -2.9726 -2.9712 -2.8173 -2.8166 -1.2390 -1.2367 -0.9324 -0.9300 -0.0632 -0.0604 0.0763 0.0773 0.7816 0.7818 0.8975 0.8977 1.5223 1.5235 1.7306 1.7308 2.4108 2.4114 2.6428 2.6440 3.2677 3.2690 3.2713 3.2731 3.8533 3.8537 4.1060 4.1074 4.7817 4.7818 4.8622 4.8625 12.0253 12.0260 12.2356 12.2369 12.4707 12.4718 12.7781 12.7801 13.2717 13.2743 k = 0.0000 0.5587 0.4725 ( 4302 PWs) bands (ev): -13.5003 -13.5001 -13.4461 -13.4459 -10.0258 -10.0256 -9.8750 -9.8741 -9.5554 -9.5551 -9.4612 -9.4602 -2.9559 -2.9545 -2.8305 -2.8296 -1.2133 -1.2110 -0.9658 -0.9634 -0.0489 -0.0463 0.0629 0.0641 0.8369 0.8372 0.9385 0.9388 1.5182 1.5192 1.6972 1.6974 2.4262 2.4268 2.6181 2.6193 3.2471 3.2490 3.2536 3.2549 3.8807 3.8812 4.0837 4.0850 4.7879 4.7880 4.8524 4.8528 12.0762 12.0767 12.2643 12.2655 12.4759 12.4767 12.7129 12.7142 13.2655 13.2686 k = 0.0000 0.5587 0.4888 ( 4304 PWs) bands (ev): -13.4932 -13.4930 -13.4524 -13.4523 -9.9873 -9.9871 -9.8598 -9.8591 -9.5826 -9.5822 -9.4978 -9.4967 -2.9392 -2.9378 -2.8444 -2.8435 -1.1861 -1.1838 -0.9992 -0.9968 -0.0347 -0.0323 0.0491 0.0505 0.8865 0.8868 0.9696 0.9699 1.5197 1.5206 1.6631 1.6633 2.4441 2.4447 2.5919 2.5930 3.2314 3.2335 3.2387 3.2400 3.9078 3.9084 4.0605 4.0617 4.7946 4.7947 4.8431 4.8434 12.1293 12.1296 12.2865 12.2875 12.4814 12.4818 12.6496 12.6503 13.2692 13.2726 k = 0.0000 0.5587 0.5051 ( 4310 PWs) bands (ev): -13.4861 -13.4860 -13.4589 -13.4587 -9.9500 -9.9498 -9.8554 -9.8548 -9.5978 -9.5973 -9.5316 -9.5306 -2.9225 -2.9213 -2.8590 -2.8580 -1.1575 -1.1552 -1.0323 -1.0300 -0.0207 -0.0184 0.0351 0.0367 0.9288 0.9289 0.9883 0.9885 1.5284 1.5291 1.6293 1.6294 2.4644 2.4651 2.5650 2.5659 3.2210 3.2230 3.2270 3.2284 3.9345 3.9352 4.0366 4.0376 4.8017 4.8019 4.8340 4.8343 12.1824 12.1826 12.2982 12.2988 12.4880 12.4880 12.5924 12.5926 13.2831 13.2867 k = 0.0000 0.5587 0.5214 ( 4306 PWs) bands (ev): -13.4792 -13.4790 -13.4656 -13.4654 -9.9153 -9.9151 -9.8643 -9.8639 -9.5982 -9.5974 -9.5614 -9.5605 -2.9061 -2.9049 -2.8742 -2.8732 -1.1277 -1.1254 -1.0649 -1.0626 -0.0068 -0.0047 0.0211 0.0229 0.9619 0.9620 0.9931 0.9932 1.5448 1.5453 1.5971 1.5972 2.4871 2.4879 2.5380 2.5389 3.2156 3.2175 3.2189 3.2206 3.9608 3.9616 4.0119 4.0129 4.8092 4.8094 4.8254 4.8257 12.2318 12.2318 12.2944 12.2946 12.4975 12.4977 12.5461 12.5463 13.3075 13.3112 k = 0.0000 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.4723 -13.4723 -13.4721 -13.4721 -9.8856 -9.8856 -9.8853 -9.8853 -9.5848 -9.5848 -9.5839 -9.5839 -2.8900 -2.8900 -2.8888 -2.8888 -1.0968 -1.0968 -1.0945 -1.0945 0.0072 0.0072 0.0091 0.0091 0.9839 0.9839 0.9840 0.9840 1.5682 1.5682 1.5685 1.5685 2.5118 2.5118 2.5126 2.5126 3.2150 3.2150 3.2168 3.2168 3.9866 3.9866 3.9875 3.9875 4.8171 4.8171 4.8174 4.8174 12.2714 12.2714 12.2715 12.2715 12.5150 12.5150 12.5153 12.5153 13.3422 13.3422 k = 0.0000 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.4723 -13.4723 -13.4721 -13.4721 -9.8856 -9.8856 -9.8853 -9.8853 -9.5848 -9.5848 -9.5839 -9.5839 -2.8900 -2.8900 -2.8888 -2.8888 -1.0968 -1.0968 -1.0945 -1.0945 0.0072 0.0072 0.0091 0.0091 0.9839 0.9839 0.9840 0.9840 1.5682 1.5682 1.5685 1.5685 2.5118 2.5118 2.5126 2.5126 3.2150 3.2150 3.2168 3.2168 3.9866 3.9866 3.9875 3.9875 4.8171 4.8171 4.8174 4.8174 12.2714 12.2714 12.2715 12.2715 12.5150 12.5150 12.5153 12.5153 13.3422 13.3422 k = 0.0165 0.5587 0.5377 ( 4308 PWs) bands (ev): -13.4722 -13.4722 -13.4720 -13.4720 -9.8882 -9.8882 -9.8877 -9.8877 -9.5826 -9.5826 -9.5816 -9.5816 -2.8882 -2.8882 -2.8870 -2.8870 -1.1010 -1.1010 -1.0986 -1.0986 0.0102 0.0102 0.0122 0.0122 0.9832 0.9832 0.9838 0.9838 1.5683 1.5683 1.5692 1.5692 2.5107 2.5107 2.5117 2.5117 3.2162 3.2162 3.2180 3.2180 3.9873 3.9873 3.9882 3.9882 4.8153 4.8153 4.8156 4.8156 12.2711 12.2711 12.2717 12.2717 12.5147 12.5147 12.5158 12.5158 13.3417 13.3417 k = 0.0329 0.5587 0.5377 ( 4312 PWs) bands (ev): -13.4717 -13.4717 -13.4715 -13.4715 -9.8956 -9.8956 -9.8947 -9.8947 -9.5762 -9.5762 -9.5750 -9.5750 -2.8828 -2.8828 -2.8816 -2.8816 -1.1133 -1.1133 -1.1110 -1.1110 0.0192 0.0192 0.0212 0.0212 0.9817 0.9817 0.9827 0.9827 1.5690 1.5690 1.5707 1.5707 2.5074 2.5074 2.5089 2.5089 3.2197 3.2197 3.2217 3.2217 3.9894 3.9894 3.9903 3.9903 4.8098 4.8098 4.8104 4.8104 12.2705 12.2705 12.2717 12.2717 12.5144 12.5144 12.5167 12.5167 13.3403 13.3403 k = 0.0494 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.4710 -13.4710 -13.4708 -13.4708 -9.9072 -9.9072 -9.9059 -9.9059 -9.5662 -9.5662 -9.5647 -9.5647 -2.8740 -2.8740 -2.8727 -2.8727 -1.1335 -1.1335 -1.1311 -1.1311 0.0338 0.0338 0.0357 0.0357 0.9793 0.9793 0.9808 0.9808 1.5704 1.5704 1.5729 1.5729 2.5023 2.5023 2.5043 2.5043 3.2253 3.2253 3.2276 3.2276 3.9928 3.9928 3.9938 3.9938 4.8008 4.8008 4.8017 4.8017 12.2697 12.2697 12.2715 12.2715 12.5143 12.5143 12.5177 12.5177 13.3380 13.3380 k = 0.0659 0.5587 0.5377 ( 4296 PWs) bands (ev): -13.4700 -13.4700 -13.4698 -13.4698 -9.9221 -9.9221 -9.9206 -9.9206 -9.5532 -9.5532 -9.5514 -9.5514 -2.8616 -2.8616 -2.8603 -2.8603 -1.1607 -1.1607 -1.1584 -1.1584 0.0533 0.0533 0.0551 0.0551 0.9761 0.9761 0.9782 0.9782 1.5724 1.5724 1.5757 1.5757 2.4955 2.4955 2.4980 2.4980 3.2329 3.2329 3.2354 3.2354 3.9977 3.9977 3.9988 3.9988 4.7884 4.7884 4.7896 4.7896 12.2688 12.2688 12.2712 12.2712 12.5144 12.5144 12.5189 12.5189 13.3350 13.3350 k = 0.0823 0.5587 0.5377 ( 4296 PWs) bands (ev): -13.4688 -13.4688 -13.4686 -13.4686 -9.9396 -9.9396 -9.9379 -9.9379 -9.5380 -9.5380 -9.5360 -9.5360 -2.8458 -2.8458 -2.8444 -2.8444 -1.1944 -1.1944 -1.1921 -1.1921 0.0769 0.0769 0.0787 0.0787 0.9723 0.9723 0.9748 0.9748 1.5749 1.5749 1.5789 1.5789 2.4873 2.4873 2.4903 2.4903 3.2422 3.2422 3.2449 3.2449 4.0040 4.0040 4.0053 4.0053 4.7728 4.7728 4.7742 4.7742 12.2675 12.2675 12.2705 12.2705 12.5147 12.5147 12.5202 12.5202 13.3313 13.3313 k = 0.0988 0.5587 0.5377 ( 4290 PWs) bands (ev): -13.4672 -13.4672 -13.4671 -13.4671 -9.9591 -9.9591 -9.9573 -9.9573 -9.5211 -9.5211 -9.5190 -9.5190 -2.8266 -2.8266 -2.8251 -2.8251 -1.2338 -1.2338 -1.2314 -1.2314 0.1041 0.1041 0.1057 0.1057 0.9679 0.9679 0.9709 0.9709 1.5777 1.5777 1.5825 1.5825 2.4781 2.4781 2.4815 2.4815 3.2528 3.2528 3.2557 3.2557 4.0119 4.0119 4.0132 4.0132 4.7541 4.7541 4.7558 4.7558 12.2659 12.2659 12.2696 12.2696 12.5152 12.5152 12.5217 12.5217 13.3271 13.3271 k = 0.1153 0.5587 0.5377 ( 4294 PWs) bands (ev): -13.4655 -13.4655 -13.4653 -13.4653 -9.9800 -9.9800 -9.9781 -9.9781 -9.5031 -9.5031 -9.5008 -9.5008 -2.8041 -2.8041 -2.8025 -2.8025 -1.2781 -1.2781 -1.2757 -1.2757 0.1339 0.1339 0.1354 0.1354 0.9631 0.9631 0.9665 0.9665 1.5807 1.5807 1.5861 1.5861 2.4682 2.4682 2.4720 2.4720 3.2643 3.2643 3.2673 3.2673 4.0213 4.0213 4.0227 4.0227 4.7326 4.7326 4.7345 4.7345 12.2639 12.2639 12.2681 12.2681 12.5159 12.5159 12.5235 12.5235 13.3226 13.3226 k = 0.1317 0.5587 0.5377 ( 4286 PWs) bands (ev): -13.4636 -13.4636 -13.4634 -13.4634 -10.0019 -10.0019 -9.9999 -9.9999 -9.4843 -9.4843 -9.4820 -9.4820 -2.7784 -2.7784 -2.7768 -2.7768 -1.3267 -1.3267 -1.3242 -1.3242 0.1657 0.1657 0.1672 0.1672 0.9580 0.9580 0.9617 0.9617 1.5837 1.5837 1.5898 1.5898 2.4579 2.4579 2.4620 2.4620 3.2763 3.2763 3.2794 3.2794 4.0322 4.0322 4.0338 4.0338 4.7085 4.7085 4.7106 4.7106 12.2612 12.2612 12.2660 12.2660 12.5168 12.5168 12.5255 12.5255 13.3180 13.3180 k = 0.1482 0.5587 0.5377 ( 4278 PWs) bands (ev): -13.4614 -13.4614 -13.4613 -13.4613 -10.0245 -10.0245 -10.0224 -10.0224 -9.4651 -9.4651 -9.4626 -9.4626 -2.7496 -2.7496 -2.7479 -2.7479 -1.3789 -1.3789 -1.3764 -1.3764 0.1989 0.1989 0.2004 0.2004 0.9527 0.9527 0.9567 0.9567 1.5865 1.5865 1.5932 1.5932 2.4476 2.4476 2.4519 2.4519 3.2886 3.2886 3.2916 3.2916 4.0448 4.0448 4.0465 4.0465 4.6820 4.6820 4.6844 4.6844 12.2577 12.2577 12.2631 12.2631 12.5182 12.5182 12.5278 12.5278 13.3136 13.3136 k = 0.1646 0.5587 0.5377 ( 4280 PWs) bands (ev): -13.4592 -13.4592 -13.4590 -13.4590 -10.0474 -10.0474 -10.0453 -10.0453 -9.4455 -9.4455 -9.4431 -9.4431 -2.7179 -2.7179 -2.7161 -2.7161 -1.4343 -1.4343 -1.4318 -1.4318 0.2331 0.2331 0.2345 0.2345 0.9473 0.9473 0.9515 0.9515 1.5889 1.5889 1.5962 1.5962 2.4375 2.4375 2.4420 2.4420 3.3007 3.3007 3.3037 3.3037 4.0590 4.0590 4.0608 4.0608 4.6536 4.6536 4.6562 4.6562 12.2532 12.2532 12.2591 12.2591 12.5201 12.5201 12.5306 12.5306 13.3094 13.3094 k = 0.1811 0.5587 0.5377 ( 4286 PWs) bands (ev): -13.4567 -13.4567 -13.4566 -13.4566 -10.0704 -10.0704 -10.0684 -10.0684 -9.4258 -9.4258 -9.4233 -9.4233 -2.6834 -2.6834 -2.6815 -2.6815 -1.4924 -1.4924 -1.4899 -1.4899 0.2677 0.2677 0.2690 0.2690 0.9421 0.9421 0.9465 0.9465 1.5908 1.5908 1.5986 1.5986 2.4280 2.4280 2.4326 2.4326 3.3123 3.3123 3.3151 3.3151 4.0748 4.0748 4.0767 4.0767 4.6236 4.6236 4.6264 4.6264 12.2473 12.2473 12.2538 12.2538 12.5227 12.5227 12.5339 12.5339 13.3059 13.3059 k = 0.1976 0.5587 0.5377 ( 4278 PWs) bands (ev): -13.4542 -13.4542 -13.4541 -13.4541 -10.0934 -10.0934 -10.0914 -10.0914 -9.4061 -9.4061 -9.4036 -9.4036 -2.6462 -2.6462 -2.6442 -2.6442 -1.5528 -1.5528 -1.5502 -1.5502 0.3023 0.3023 0.3037 0.3037 0.9370 0.9370 0.9416 0.9416 1.5920 1.5920 1.6003 1.6003 2.4192 2.4192 2.4239 2.4239 3.3231 3.3231 3.3258 3.3258 4.0921 4.0921 4.0941 4.0941 4.5924 4.5924 4.5953 4.5953 12.2398 12.2398 12.2468 12.2468 12.5260 12.5260 12.5379 12.5379 13.3031 13.3031 k = 0.2140 0.5587 0.5377 ( 4280 PWs) bands (ev): -13.4517 -13.4517 -13.4516 -13.4516 -10.1162 -10.1162 -10.1142 -10.1142 -9.3865 -9.3865 -9.3840 -9.3840 -2.6065 -2.6065 -2.6044 -2.6044 -1.6153 -1.6153 -1.6126 -1.6126 0.3367 0.3367 0.3381 0.3381 0.9323 0.9323 0.9370 0.9370 1.5922 1.5922 1.6009 1.6009 2.4115 2.4115 2.4162 2.4162 3.3330 3.3330 3.3355 3.3355 4.1107 4.1107 4.1129 4.1129 4.5605 4.5605 4.5636 4.5636 12.2306 12.2306 12.2379 12.2379 12.5301 12.5301 12.5426 12.5426 13.3014 13.3014 k = 0.2305 0.5587 0.5377 ( 4290 PWs) bands (ev): -13.4491 -13.4491 -13.4490 -13.4490 -10.1386 -10.1386 -10.1366 -10.1366 -9.3670 -9.3670 -9.3645 -9.3645 -2.5645 -2.5645 -2.5624 -2.5624 -1.6794 -1.6794 -1.6768 -1.6768 0.3705 0.3705 0.3720 0.3720 0.9280 0.9280 0.9328 0.9328 1.5913 1.5913 1.6005 1.6005 2.4051 2.4051 2.4098 2.4098 3.3417 3.3417 3.3440 3.3440 4.1303 4.1303 4.1327 4.1327 4.5284 4.5284 4.5316 4.5316 12.2193 12.2193 12.2269 12.2269 12.5350 12.5350 12.5479 12.5479 13.3011 13.3011 k = 0.2470 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.4466 -13.4466 -13.4464 -13.4464 -10.1605 -10.1605 -10.1585 -10.1585 -9.3477 -9.3477 -9.3452 -9.3452 -2.5203 -2.5203 -2.5182 -2.5182 -1.7451 -1.7451 -1.7424 -1.7424 0.4035 0.4035 0.4050 0.4050 0.9243 0.9243 0.9292 0.9292 1.5892 1.5892 1.5988 1.5988 2.4000 2.4000 2.4047 2.4047 3.3491 3.3491 3.3511 3.3511 4.1506 4.1506 4.1532 4.1532 4.4969 4.4969 4.5001 4.5001 12.2059 12.2059 12.2137 12.2137 12.5407 12.5407 12.5539 12.5539 13.3023 13.3023 k = 0.2634 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.4440 -13.4440 -13.4439 -13.4439 -10.1817 -10.1817 -10.1797 -10.1797 -9.3286 -9.3286 -9.3261 -9.3261 -2.4743 -2.4743 -2.4721 -2.4721 -1.8119 -1.8119 -1.8092 -1.8092 0.4353 0.4353 0.4369 0.4369 0.9214 0.9214 0.9263 0.9263 1.5859 1.5859 1.5957 1.5957 2.3965 2.3965 2.4012 2.4012 3.3551 3.3551 3.3569 3.3569 4.1708 4.1708 4.1736 4.1736 4.4670 4.4670 4.4701 4.4701 12.1903 12.1903 12.1982 12.1982 12.5470 12.5470 12.5603 12.5603 13.3053 13.3053 k = 0.2799 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.4416 -13.4416 -13.4415 -13.4415 -10.2022 -10.2022 -10.2002 -10.2002 -9.3097 -9.3097 -9.3072 -9.3072 -2.4266 -2.4266 -2.4244 -2.4244 -1.8797 -1.8797 -1.8769 -1.8769 0.4657 0.4657 0.4675 0.4675 0.9194 0.9194 0.9243 0.9243 1.5811 1.5811 1.5912 1.5912 2.3947 2.3947 2.3993 2.3993 3.3598 3.3598 3.3613 3.3613 4.1895 4.1895 4.1925 4.1925 4.4402 4.4402 4.4432 4.4432 12.1725 12.1725 12.1804 12.1804 12.5537 12.5537 12.5669 12.5669 13.3104 13.3104 k = 0.2964 0.5587 0.5377 ( 4294 PWs) bands (ev): -13.4394 -13.4394 -13.4393 -13.4393 -10.2218 -10.2218 -10.2199 -10.2199 -9.2911 -9.2911 -9.2886 -9.2886 -2.3777 -2.3777 -2.3755 -2.3755 -1.9481 -1.9481 -1.9453 -1.9453 0.4945 0.4945 0.4964 0.4964 0.9184 0.9184 0.9233 0.9233 1.5749 1.5749 1.5852 1.5852 2.3946 2.3946 2.3991 2.3991 3.3630 3.3630 3.3643 3.3643 4.2044 4.2044 4.2077 4.2077 4.4190 4.4190 4.4216 4.4216 12.1524 12.1524 12.1603 12.1603 12.5604 12.5604 12.5735 12.5735 13.3178 13.3178 k = 0.3128 0.5587 0.5377 ( 4302 PWs) bands (ev): -13.4373 -13.4373 -13.4372 -13.4372 -10.2404 -10.2404 -10.2386 -10.2386 -9.2727 -9.2727 -9.2703 -9.2703 -2.3280 -2.3280 -2.3260 -2.3260 -2.0165 -2.0165 -2.0138 -2.0138 0.5214 0.5214 0.5234 0.5234 0.9187 0.9187 0.9234 0.9234 1.5672 1.5672 1.5778 1.5778 2.3964 2.3964 2.4008 2.4008 3.3649 3.3649 3.3661 3.3661 4.2123 4.2123 4.2157 4.2157 4.4069 4.4069 4.4089 4.4089 12.1303 12.1303 12.1381 12.1381 12.5669 12.5669 12.5798 12.5798 13.3275 13.3275 k = 0.3293 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4354 -13.4354 -13.4353 -13.4353 -10.2580 -10.2580 -10.2562 -10.2562 -9.2546 -9.2546 -9.2522 -9.2522 -2.2794 -2.2794 -2.2777 -2.2777 -2.0833 -2.0833 -2.0807 -2.0807 0.5461 0.5461 0.5482 0.5482 0.9203 0.9203 0.9249 0.9249 1.5581 1.5581 1.5689 1.5689 2.4000 2.4000 2.4044 2.4044 3.3656 3.3656 3.3666 3.3666 4.2101 4.2101 4.2138 4.2138 4.4067 4.4067 4.4081 4.4081 12.1062 12.1062 12.1139 12.1139 12.5729 12.5729 12.5855 12.5855 13.3398 13.3398 k = 0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4337 -13.4337 -13.4336 -13.4336 -10.2744 -10.2744 -10.2726 -10.2726 -9.2368 -9.2368 -9.2344 -9.2344 -2.2404 -2.2404 -2.2399 -2.2399 -2.1394 -2.1394 -2.1372 -2.1372 0.5683 0.5683 0.5706 0.5706 0.9235 0.9235 0.9280 0.9280 1.5477 1.5477 1.5585 1.5585 2.4056 2.4056 2.4099 2.4099 3.3651 3.3651 3.3660 3.3660 4.1980 4.1980 4.2017 4.2017 4.4184 4.4184 4.4196 4.4196 12.0802 12.0802 12.0878 12.0878 12.5781 12.5781 12.5904 12.5904 13.3545 13.3545 k = 0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4337 -13.4337 -13.4336 -13.4336 -10.2744 -10.2744 -10.2726 -10.2726 -9.2368 -9.2368 -9.2344 -9.2344 -2.2404 -2.2404 -2.2399 -2.2399 -2.1394 -2.1394 -2.1372 -2.1372 0.5683 0.5683 0.5706 0.5706 0.9235 0.9235 0.9280 0.9280 1.5477 1.5477 1.5585 1.5585 2.4056 2.4056 2.4099 2.4099 3.3651 3.3651 3.3660 3.3660 4.1980 4.1980 4.2017 4.2017 4.4184 4.4184 4.4196 4.4196 12.0802 12.0802 12.0878 12.0878 12.5781 12.5781 12.5904 12.5904 13.3545 13.3545 k = 0.3371 0.5447 0.5377 ( 4298 PWs) bands (ev): -13.4366 -13.4366 -13.4366 -13.4366 -10.2436 -10.2436 -10.2418 -10.2418 -9.2706 -9.2706 -9.2681 -9.2681 -2.2834 -2.2834 -2.2828 -2.2828 -2.0629 -2.0629 -2.0606 -2.0606 0.5282 0.5282 0.5302 0.5302 0.9158 0.9158 0.9206 0.9206 1.5689 1.5689 1.5796 1.5796 2.3935 2.3935 2.3979 2.3979 3.3667 3.3667 3.3678 3.3678 4.2295 4.2295 4.2332 4.2332 4.3871 4.3871 4.3882 4.3882 12.1305 12.1305 12.1383 12.1383 12.5681 12.5681 12.5809 12.5809 13.3257 13.3257 k = 0.3285 0.5307 0.5377 ( 4290 PWs) bands (ev): -13.4397 -13.4397 -13.4396 -13.4396 -10.2115 -10.2115 -10.2095 -10.2095 -9.3048 -9.3048 -9.3023 -9.3023 -2.3286 -2.3286 -2.3280 -2.3280 -1.9844 -1.9844 -1.9822 -1.9822 0.4870 0.4870 0.4886 0.4886 0.9082 0.9082 0.9132 0.9132 1.5905 1.5905 1.6011 1.6011 2.3818 2.3818 2.3864 2.3864 3.3678 3.3678 3.3690 3.3690 4.2624 4.2624 4.2660 4.2660 4.3565 4.3565 4.3576 4.3576 12.1790 12.1790 12.1870 12.1870 12.5556 12.5556 12.5690 12.5690 13.3000 13.3000 k = 0.3198 0.5168 0.5377 ( 4290 PWs) bands (ev): -13.4429 -13.4429 -13.4428 -13.4428 -10.1779 -10.1779 -10.1759 -10.1759 -9.3392 -9.3392 -9.3367 -9.3367 -2.3758 -2.3758 -2.3753 -2.3753 -1.9043 -1.9043 -1.9021 -1.9021 0.4449 0.4449 0.4462 0.4462 0.9006 0.9006 0.9058 0.9058 1.6127 1.6127 1.6230 1.6230 2.3708 2.3708 2.3755 2.3755 3.3682 3.3682 3.3696 3.3696 4.2967 4.2967 4.3001 4.3001 4.3268 4.3268 4.3278 4.3278 12.2243 12.2243 12.2325 12.2325 12.5402 12.5402 12.5541 12.5541 13.2785 13.2785 k = 0.3112 0.5028 0.5377 ( 4294 PWs) bands (ev): -13.4462 -13.4462 -13.4462 -13.4462 -10.1429 -10.1429 -10.1409 -10.1409 -9.3739 -9.3739 -9.3713 -9.3713 -2.4251 -2.4251 -2.4246 -2.4246 -1.8228 -1.8228 -1.8207 -1.8207 0.4019 0.4019 0.4029 0.4029 0.8930 0.8930 0.8985 0.8985 1.6352 1.6352 1.6454 1.6454 2.3605 2.3605 2.3654 2.3654 3.3680 3.3680 3.3696 3.3696 4.2977 4.2977 4.2988 4.2988 4.3324 4.3324 4.3359 4.3359 12.2653 12.2653 12.2735 12.2735 12.5217 12.5217 12.5359 12.5359 13.2626 13.2626 k = 0.3025 0.4888 0.5377 ( 4286 PWs) bands (ev): -13.4497 -13.4497 -13.4496 -13.4496 -10.1067 -10.1067 -10.1045 -10.1045 -9.4085 -9.4085 -9.4060 -9.4060 -2.4763 -2.4763 -2.4759 -2.4759 -1.7403 -1.7403 -1.7382 -1.7382 0.3582 0.3582 0.3589 0.3589 0.8855 0.8855 0.8912 0.8912 1.6583 1.6583 1.6682 1.6682 2.3511 2.3511 2.3561 2.3561 3.3671 3.3671 3.3690 3.3690 4.2701 4.2701 4.2712 4.2712 4.3690 4.3690 4.3723 4.3723 12.3003 12.3003 12.3084 12.3084 12.4997 12.4997 12.5142 12.5142 13.2538 13.2538 k = 0.2939 0.4749 0.5377 ( 4284 PWs) bands (ev): -13.4532 -13.4532 -13.4531 -13.4531 -10.0692 -10.0692 -10.0670 -10.0670 -9.4431 -9.4431 -9.4406 -9.4406 -2.5294 -2.5294 -2.5291 -2.5291 -1.6570 -1.6570 -1.6549 -1.6549 0.3140 0.3140 0.3144 0.3144 0.8780 0.8780 0.8840 0.8840 1.6817 1.6817 1.6914 1.6914 2.3428 2.3428 2.3480 2.3480 3.3657 3.3657 3.3678 3.3678 4.2437 4.2437 4.2448 4.2448 4.4066 4.4066 4.4098 4.4098 12.3282 12.3282 12.3361 12.3361 12.4742 12.4742 12.4889 12.4889 13.2534 13.2534 k = 0.2853 0.4609 0.5377 ( 4290 PWs) bands (ev): -13.4568 -13.4568 -13.4567 -13.4567 -10.0305 -10.0305 -10.0282 -10.0282 -9.4775 -9.4775 -9.4749 -9.4749 -2.5844 -2.5844 -2.5842 -2.5842 -1.5731 -1.5731 -1.5712 -1.5712 0.2693 0.2693 0.2695 0.2695 0.8706 0.8706 0.8768 0.8768 1.7055 1.7055 1.7150 1.7150 2.3357 2.3357 2.3411 2.3411 3.3637 3.3637 3.3660 3.3660 4.2187 4.2187 4.2197 4.2197 4.4451 4.4451 4.4481 4.4481 12.3478 12.3478 12.3554 12.3554 12.4450 12.4450 12.4597 12.4597 13.2622 13.2622 k = 0.2766 0.4469 0.5377 ( 4296 PWs) bands (ev): -13.4606 -13.4606 -13.4605 -13.4605 -9.9906 -9.9906 -9.9883 -9.9883 -9.5116 -9.5116 -9.5090 -9.5090 -2.6410 -2.6410 -2.6409 -2.6409 -1.4890 -1.4890 -1.4872 -1.4872 0.2243 0.2243 0.2243 0.2243 0.8633 0.8633 0.8697 0.8697 1.7297 1.7297 1.7390 1.7390 2.3300 2.3300 2.3355 2.3355 3.3611 3.3611 3.3637 3.3637 4.1950 4.1950 4.1959 4.1959 4.4843 4.4843 4.4872 4.4872 12.3586 12.3586 12.3660 12.3660 12.4122 12.4122 12.4268 12.4268 13.2807 13.2807 k = 0.2680 0.4330 0.5377 ( 4300 PWs) bands (ev): -13.4644 -13.4644 -13.4643 -13.4643 -9.9497 -9.9497 -9.9474 -9.9474 -9.5452 -9.5452 -9.5427 -9.5427 -2.6993 -2.6993 -2.6993 -2.6993 -1.4050 -1.4050 -1.4034 -1.4034 0.1789 0.1789 0.1791 0.1791 0.8561 0.8561 0.8628 0.8628 1.7542 1.7542 1.7632 1.7632 2.3257 2.3257 2.3314 2.3314 3.3579 3.3579 3.3608 3.3608 4.1727 4.1727 4.1736 4.1736 4.5242 4.5242 4.5268 4.5268 12.3598 12.3598 12.3681 12.3681 12.3772 12.3772 12.3903 12.3903 13.3083 13.3083 k = 0.2593 0.4190 0.5377 ( 4300 PWs) bands (ev): -13.4682 -13.4682 -13.4681 -13.4681 -9.9078 -9.9078 -9.9054 -9.9054 -9.5784 -9.5784 -9.5759 -9.5759 -2.7592 -2.7592 -2.7592 -2.7592 -1.3213 -1.3213 -1.3198 -1.3198 0.1337 0.1337 0.1340 0.1340 0.8489 0.8489 0.8558 0.8558 1.7790 1.7790 1.7877 1.7877 2.3230 2.3230 2.3289 2.3289 3.3543 3.3543 3.3575 3.3575 4.1518 4.1518 4.1526 4.1526 4.5645 4.5645 4.5669 4.5669 12.3337 12.3337 12.3499 12.3499 12.3586 12.3586 12.3632 12.3632 13.3438 13.3438 k = 0.2507 0.4050 0.5377 ( 4296 PWs) bands (ev): -13.4722 -13.4722 -13.4721 -13.4721 -9.8650 -9.8650 -9.8626 -9.8626 -9.6111 -9.6111 -9.6086 -9.6086 -2.8206 -2.8206 -2.8204 -2.8204 -1.2382 -1.2382 -1.2369 -1.2369 0.0886 0.0886 0.0891 0.0891 0.8419 0.8419 0.8490 0.8490 1.8040 1.8040 1.8125 1.8125 2.3220 2.3220 2.3280 2.3280 3.3502 3.3502 3.3536 3.3536 4.1324 4.1324 4.1332 4.1332 4.6051 4.6051 4.6074 4.6074 12.2915 12.2915 12.3069 12.3069 12.3469 12.3469 12.3515 12.3515 13.3855 13.3855 k = 0.2420 0.3911 0.5377 ( 4296 PWs) bands (ev): -13.4761 -13.4761 -13.4760 -13.4760 -9.8214 -9.8214 -9.8189 -9.8189 -9.6431 -9.6431 -9.6406 -9.6406 -2.8831 -2.8831 -2.8828 -2.8828 -1.1561 -1.1561 -1.1549 -1.1549 0.0439 0.0439 0.0445 0.0445 0.8349 0.8349 0.8423 0.8423 1.8292 1.8292 1.8374 1.8374 2.3228 2.3228 2.3290 2.3290 3.3457 3.3457 3.3494 3.3494 4.1145 4.1145 4.1151 4.1151 4.6459 4.6459 4.6480 4.6480 12.2458 12.2458 12.2608 12.2608 12.3309 12.3309 12.3352 12.3352 13.4316 13.4316 k = 0.2334 0.3771 0.5377 ( 4296 PWs) bands (ev): -13.4801 -13.4801 -13.4801 -13.4801 -9.7771 -9.7771 -9.7745 -9.7745 -9.6743 -9.6743 -9.6720 -9.6720 -2.9468 -2.9468 -2.9464 -2.9464 -1.0750 -1.0750 -1.0741 -1.0741 -0.0003 -0.0003 0.0004 0.0004 0.8281 0.8281 0.8356 0.8356 1.8545 1.8545 1.8625 1.8625 2.3253 2.3253 2.3317 2.3317 3.3409 3.3409 3.3449 3.3449 4.0979 4.0979 4.0985 4.0985 4.6868 4.6868 4.6887 4.6887 12.1975 12.1975 12.2121 12.2121 12.3115 12.3115 12.3155 12.3155 13.4796 13.4796 k = 0.2247 0.3631 0.5377 ( 4288 PWs) bands (ev): -13.4842 -13.4842 -13.4841 -13.4841 -9.7321 -9.7321 -9.7295 -9.7295 -9.7048 -9.7048 -9.7025 -9.7025 -3.0114 -3.0114 -3.0109 -3.0109 -0.9954 -0.9954 -0.9948 -0.9948 -0.0439 -0.0439 -0.0431 -0.0431 0.8213 0.8213 0.8290 0.8290 1.8799 1.8799 1.8876 1.8876 2.3297 2.3297 2.3362 2.3362 3.3358 3.3358 3.3401 3.3401 4.0828 4.0828 4.0833 4.0833 4.7276 4.7276 4.7293 4.7293 12.1470 12.1470 12.1613 12.1613 12.2899 12.2899 12.2936 12.2936 13.5272 13.5272 k = 0.2161 0.3492 0.5377 ( 4292 PWs) bands (ev): -13.4882 -13.4882 -13.4881 -13.4881 -9.7346 -9.7346 -9.7323 -9.7323 -9.6864 -9.6864 -9.6839 -9.6839 -3.0768 -3.0768 -3.0762 -3.0762 -0.9175 -0.9175 -0.9171 -0.9171 -0.0867 -0.0867 -0.0858 -0.0858 0.8146 0.8146 0.8226 0.8226 1.9052 1.9052 1.9127 1.9127 2.3358 2.3358 2.3426 2.3426 3.3304 3.3304 3.3351 3.3351 4.0689 4.0689 4.0694 4.0694 4.7681 4.7681 4.7696 4.7696 12.0948 12.0948 12.1087 12.1087 12.2670 12.2670 12.2704 12.2704 13.5716 13.5716 k = 0.2075 0.3352 0.5377 ( 4296 PWs) bands (ev): -13.4923 -13.4923 -13.4922 -13.4922 -9.7634 -9.7634 -9.7612 -9.7612 -9.6405 -9.6405 -9.6379 -9.6379 -3.1428 -3.1428 -3.1421 -3.1421 -0.8415 -0.8415 -0.8413 -0.8413 -0.1285 -0.1285 -0.1276 -0.1276 0.8081 0.8081 0.8162 0.8162 1.9305 1.9305 1.9378 1.9378 2.3438 2.3438 2.3507 2.3507 3.3250 3.3250 3.3299 3.3299 4.0564 4.0564 4.0568 4.0568 4.8083 4.8083 4.8097 4.8097 12.0412 12.0412 12.0547 12.0547 12.2437 12.2437 12.2468 12.2468 13.6098 13.6098 k = 0.1988 0.3212 0.5377 ( 4300 PWs) bands (ev): -13.4963 -13.4963 -13.4962 -13.4962 -9.7913 -9.7913 -9.7891 -9.7891 -9.5942 -9.5942 -9.5916 -9.5916 -3.2092 -3.2092 -3.2084 -3.2084 -0.7678 -0.7678 -0.7676 -0.7676 -0.1694 -0.1694 -0.1684 -0.1684 0.8017 0.8017 0.8100 0.8100 1.9557 1.9557 1.9626 1.9626 2.3535 2.3535 2.3606 2.3606 3.3196 3.3196 3.3248 3.3248 4.0451 4.0451 4.0454 4.0454 4.8480 4.8480 4.8492 4.8492 11.9867 11.9867 11.9998 11.9998 12.2206 12.2206 12.2234 12.2234 13.6381 13.6381 k = 0.1902 0.3073 0.5377 ( 4312 PWs) bands (ev): -13.5003 -13.5003 -13.5002 -13.5002 -9.8182 -9.8182 -9.8161 -9.8161 -9.5478 -9.5478 -9.5452 -9.5452 -3.2757 -3.2757 -3.2748 -3.2748 -0.6966 -0.6966 -0.6962 -0.6962 -0.2091 -0.2091 -0.2081 -0.2081 0.7954 0.7954 0.8039 0.8039 1.9806 1.9806 1.9873 1.9873 2.3649 2.3649 2.3721 2.3721 3.3142 3.3142 3.3197 3.3197 4.0350 4.0350 4.0353 4.0353 4.8871 4.8871 4.8881 4.8881 11.9315 11.9315 11.9442 11.9442 12.1983 12.1983 12.2008 12.2008 13.6533 13.6533 k = 0.1815 0.2933 0.5377 ( 4320 PWs) bands (ev): -13.5043 -13.5043 -13.5042 -13.5042 -9.8441 -9.8441 -9.8421 -9.8421 -9.5013 -9.5013 -9.4987 -9.4987 -3.3422 -3.3422 -3.3412 -3.3412 -0.6280 -0.6280 -0.6273 -0.6273 -0.2476 -0.2476 -0.2466 -0.2466 0.7894 0.7894 0.7980 0.7980 2.0052 2.0052 2.0116 2.0116 2.3777 2.3777 2.3851 2.3851 3.3089 3.3089 3.3147 3.3147 4.0260 4.0260 4.0262 4.0262 4.9255 4.9255 4.9263 4.9263 11.8761 11.8761 11.8883 11.8883 12.1771 12.1771 12.1794 12.1794 13.6531 13.6531 k = 0.1729 0.2793 0.5377 ( 4324 PWs) bands (ev): -13.5082 -13.5082 -13.5081 -13.5081 -9.8690 -9.8690 -9.8670 -9.8670 -9.4549 -9.4549 -9.4524 -9.4524 -3.4084 -3.4084 -3.4074 -3.4074 -0.5621 -0.5621 -0.5611 -0.5611 -0.2847 -0.2847 -0.2837 -0.2837 0.7836 0.7836 0.7923 0.7923 2.0295 2.0295 2.0356 2.0356 2.3919 2.3919 2.3994 2.3994 3.3040 3.3040 3.3101 3.3101 4.0181 4.0181 4.0182 4.0182 4.9629 4.9629 4.9635 4.9635 11.8209 11.8209 11.8326 11.8326 12.1574 12.1574 12.1595 12.1595 13.6372 13.6372 k = 0.1642 0.2654 0.5377 ( 4328 PWs) bands (ev): -13.5120 -13.5120 -13.5119 -13.5119 -9.8927 -9.8927 -9.8909 -9.8909 -9.4089 -9.4089 -9.4064 -9.4064 -3.4740 -3.4740 -3.4730 -3.4730 -0.4992 -0.4992 -0.4979 -0.4979 -0.3204 -0.3204 -0.3194 -0.3194 0.7780 0.7780 0.7868 0.7868 2.0532 2.0532 2.0591 2.0591 2.4072 2.4072 2.4148 2.4148 3.2995 3.2995 3.3058 3.3058 4.0111 4.0111 4.0112 4.0112 4.9994 4.9994 4.9998 4.9998 11.7661 11.7661 11.7773 11.7773 12.1394 12.1394 12.1413 12.1413 13.6078 13.6078 k = 0.1556 0.2514 0.5377 ( 4324 PWs) bands (ev): -13.5157 -13.5157 -13.5156 -13.5156 -9.9154 -9.9154 -9.9136 -9.9136 -9.3633 -9.3633 -9.3608 -9.3608 -3.5389 -3.5389 -3.5378 -3.5378 -0.4394 -0.4394 -0.4378 -0.4378 -0.3545 -0.3545 -0.3536 -0.3536 0.7728 0.7728 0.7816 0.7816 2.0765 2.0765 2.0820 2.0820 2.4234 2.4234 2.4311 2.4311 3.2954 3.2954 3.3020 3.3020 4.0050 4.0050 4.0051 4.0051 5.0347 5.0347 5.0350 5.0350 11.7122 11.7122 11.7228 11.7228 12.1233 12.1233 12.1250 12.1250 13.5684 13.5684 k = 0.1469 0.2374 0.5377 ( 4324 PWs) bands (ev): -13.5194 -13.5194 -13.5193 -13.5193 -9.9370 -9.9370 -9.9353 -9.9353 -9.3183 -9.3183 -9.3158 -9.3158 -3.6027 -3.6027 -3.6015 -3.6015 -0.3884 -0.3884 -0.3882 -0.3882 -0.3808 -0.3808 -0.3797 -0.3797 0.7678 0.7678 0.7767 0.7767 2.0990 2.0990 2.1043 2.1043 2.4403 2.4403 2.4480 2.4480 3.2920 3.2920 3.2987 3.2987 3.9998 3.9998 3.9998 3.9998 5.0688 5.0688 5.0690 5.0690 11.6593 11.6593 11.6694 11.6694 12.1092 12.1092 12.1107 12.1107 13.5223 13.5224 k = 0.1383 0.2235 0.5377 ( 4312 PWs) bands (ev): -13.5229 -13.5229 -13.5228 -13.5228 -9.9574 -9.9574 -9.9558 -9.9558 -9.2741 -9.2741 -9.2717 -9.2717 -3.6651 -3.6651 -3.6639 -3.6639 -0.4184 -0.4184 -0.4175 -0.4175 -0.3291 -0.3291 -0.3271 -0.3271 0.7633 0.7633 0.7721 0.7721 2.1209 2.1209 2.1259 2.1259 2.4575 2.4575 2.4653 2.4653 3.2893 3.2893 3.2962 3.2962 3.9953 3.9953 3.9954 3.9954 5.1016 5.1016 5.1016 5.1016 11.6078 11.6078 11.6174 11.6174 12.0971 12.0971 12.0984 12.0984 13.4725 13.4725 k = 0.1297 0.2095 0.5377 ( 4316 PWs) bands (ev): -13.5263 -13.5263 -13.5262 -13.5262 -9.9766 -9.9766 -9.9751 -9.9751 -9.2309 -9.2309 -9.2287 -9.2287 -3.7259 -3.7259 -3.7247 -3.7247 -0.4477 -0.4477 -0.4469 -0.4469 -0.2792 -0.2792 -0.2769 -0.2769 0.7591 0.7591 0.7679 0.7679 2.1419 2.1419 2.1466 2.1466 2.4748 2.4748 2.4825 2.4825 3.2874 3.2874 3.2944 3.2944 3.9915 3.9915 3.9916 3.9916 5.1328 5.1328 5.1328 5.1328 11.5581 11.5581 11.5671 11.5671 12.0870 12.0870 12.0882 12.0882 13.4213 13.4213 k = 0.1210 0.1955 0.5377 ( 4324 PWs) bands (ev): -13.5295 -13.5295 -13.5294 -13.5294 -9.9946 -9.9946 -9.9932 -9.9932 -9.1890 -9.1890 -9.1868 -9.1868 -3.7847 -3.7847 -3.7835 -3.7835 -0.4753 -0.4753 -0.4745 -0.4745 -0.2326 -0.2326 -0.2301 -0.2301 0.7554 0.7554 0.7640 0.7640 2.1621 2.1621 2.1664 2.1664 2.4919 2.4919 2.4996 2.4996 3.2864 3.2864 3.2934 3.2934 3.9884 3.9884 3.9885 3.9885 5.1624 5.1624 5.1626 5.1626 11.5103 11.5103 11.5188 11.5188 12.0788 12.0788 12.0799 12.0799 13.3703 13.3703 k = 0.1124 0.1816 0.5377 ( 4312 PWs) bands (ev): -13.5326 -13.5326 -13.5325 -13.5325 -10.0115 -10.0115 -10.0101 -10.0101 -9.1486 -9.1486 -9.1465 -9.1465 -3.8413 -3.8413 -3.8401 -3.8401 -0.5011 -0.5011 -0.5004 -0.5004 -0.1895 -0.1895 -0.1868 -0.1868 0.7522 0.7522 0.7606 0.7606 2.1813 2.1813 2.1853 2.1853 2.5086 2.5086 2.5161 2.5161 3.2863 3.2863 3.2933 3.2933 3.9858 3.9858 3.9859 3.9859 5.1904 5.1904 5.1906 5.1906 11.4647 11.4647 11.4726 11.4726 12.0725 12.0725 12.0734 12.0734 13.3209 13.3209 k = 0.1037 0.1676 0.5377 ( 4308 PWs) bands (ev): -13.5355 -13.5355 -13.5354 -13.5354 -10.0271 -10.0271 -10.0259 -10.0259 -9.1098 -9.1098 -9.1078 -9.1078 -3.8954 -3.8954 -3.8942 -3.8942 -0.5251 -0.5251 -0.5244 -0.5244 -0.1498 -0.1498 -0.1470 -0.1470 0.7494 0.7494 0.7575 0.7575 2.1994 2.1994 2.2031 2.2031 2.5245 2.5245 2.5318 2.5318 3.2872 3.2872 3.2941 3.2941 3.9837 3.9837 3.9839 3.9839 5.2167 5.2167 5.2170 5.2170 11.4215 11.4215 11.4288 11.4288 12.0678 12.0678 12.0686 12.0686 13.2739 13.2739 k = 0.0951 0.1536 0.5377 ( 4316 PWs) bands (ev): -13.5382 -13.5382 -13.5382 -13.5382 -10.0415 -10.0415 -10.0404 -10.0404 -9.0730 -9.0730 -9.0711 -9.0711 -3.9466 -3.9466 -3.9454 -3.9454 -0.5473 -0.5473 -0.5467 -0.5467 -0.1136 -0.1136 -0.1108 -0.1108 0.7471 0.7471 0.7549 0.7549 2.2164 2.2164 2.2198 2.2198 2.5395 2.5395 2.5466 2.5466 3.2889 3.2889 3.2956 3.2956 3.9820 3.9820 3.9822 3.9822 5.2411 5.2411 5.2415 5.2415 11.3809 11.3809 11.3877 11.3877 12.0645 12.0645 12.0652 12.0652 13.2300 13.2300 k = 0.0864 0.1397 0.5377 ( 4320 PWs) bands (ev): -13.5408 -13.5408 -13.5407 -13.5407 -10.0547 -10.0547 -10.0536 -10.0536 -9.0383 -9.0383 -9.0365 -9.0365 -3.9946 -3.9946 -3.9935 -3.9935 -0.5677 -0.5677 -0.5671 -0.5671 -0.0808 -0.0808 -0.0780 -0.0780 0.7452 0.7452 0.7527 0.7527 2.2322 2.2322 2.2353 2.2353 2.5534 2.5534 2.5601 2.5601 3.2915 3.2915 3.2979 3.2979 3.9808 3.9808 3.9810 3.9810 5.2637 5.2637 5.2641 5.2641 11.3433 11.3433 11.3495 11.3495 12.0625 12.0625 12.0631 12.0631 13.1898 13.1898 k = 0.0778 0.1257 0.5377 ( 4308 PWs) bands (ev): -13.5431 -13.5431 -13.5430 -13.5430 -10.0666 -10.0666 -10.0657 -10.0657 -9.0059 -9.0059 -9.0043 -9.0043 -4.0392 -4.0392 -4.0381 -4.0381 -0.5861 -0.5861 -0.5856 -0.5856 -0.0515 -0.0515 -0.0487 -0.0487 0.7438 0.7438 0.7508 0.7508 2.2467 2.2467 2.2495 2.2495 2.5660 2.5660 2.5723 2.5723 3.2948 3.2948 3.3009 3.3009 3.9798 3.9798 3.9800 3.9800 5.2843 5.2843 5.2847 5.2847 11.3086 11.3086 11.3142 11.3142 12.0614 12.0614 12.0619 12.0619 13.1536 13.1536 k = 0.0692 0.1117 0.5377 ( 4308 PWs) bands (ev): -13.5452 -13.5452 -13.5451 -13.5451 -10.0773 -10.0773 -10.0765 -10.0765 -8.9762 -8.9762 -8.9747 -8.9747 -4.0800 -4.0800 -4.0790 -4.0790 -0.6027 -0.6027 -0.6022 -0.6022 -0.0255 -0.0255 -0.0228 -0.0228 0.7429 0.7429 0.7493 0.7493 2.2599 2.2599 2.2624 2.2624 2.5773 2.5773 2.5831 2.5831 3.2986 3.2986 3.3043 3.3043 3.9791 3.9791 3.9793 3.9793 5.3029 5.3029 5.3034 5.3034 11.2772 11.2772 11.2822 11.2822 12.0611 12.0611 12.0616 12.0616 13.1215 13.1215 k = 0.0605 0.0978 0.5377 ( 4308 PWs) bands (ev): -13.5471 -13.5471 -13.5470 -13.5470 -10.0867 -10.0867 -10.0860 -10.0860 -8.9494 -8.9494 -8.9480 -8.9480 -4.1167 -4.1167 -4.1158 -4.1158 -0.6173 -0.6173 -0.6169 -0.6169 -0.0027 -0.0027 -0.0002 -0.0002 0.7423 0.7423 0.7481 0.7481 2.2717 2.2717 2.2739 2.2739 2.5872 2.5872 2.5924 2.5924 3.3028 3.3028 3.3079 3.3079 3.9786 3.9786 3.9788 3.9788 5.3195 5.3195 5.3199 5.3199 11.2492 11.2492 11.2535 11.2535 12.0613 12.0613 12.0617 12.0617 13.0937 13.0937 k = 0.0519 0.0838 0.5377 ( 4304 PWs) bands (ev): -13.5487 -13.5487 -13.5487 -13.5487 -10.0949 -10.0949 -10.0943 -10.0943 -8.9256 -8.9256 -8.9244 -8.9244 -4.1491 -4.1491 -4.1484 -4.1484 -0.6300 -0.6300 -0.6296 -0.6296 0.0168 0.0168 0.0191 0.0191 0.7420 0.7420 0.7472 0.7472 2.2820 2.2820 2.2839 2.2839 2.5957 2.5957 2.6003 2.6003 3.3071 3.3071 3.3116 3.3116 3.9783 3.9783 3.9785 3.9785 5.3339 5.3339 5.3343 5.3343 11.2246 11.2246 11.2284 11.2284 12.0619 12.0619 12.0622 12.0622 13.0703 13.0703 k = 0.0432 0.0698 0.5377 ( 4294 PWs) bands (ev): -13.5501 -13.5501 -13.5501 -13.5501 -10.1018 -10.1018 -10.1013 -10.1013 -8.9051 -8.9051 -8.9041 -8.9041 -4.1770 -4.1770 -4.1764 -4.1764 -0.6408 -0.6408 -0.6405 -0.6405 0.0332 0.0332 0.0352 0.0352 0.7420 0.7420 0.7464 0.7464 2.2909 2.2909 2.2925 2.2925 2.6029 2.6029 2.6068 2.6068 3.3113 3.3113 3.3152 3.3152 3.9781 3.9781 3.9783 3.9783 5.3462 5.3462 5.3466 5.3466 11.2037 11.2037 11.2068 11.2068 12.0625 12.0625 12.0628 12.0628 13.0510 13.0510 k = 0.0346 0.0559 0.5377 ( 4292 PWs) bands (ev): -13.5513 -13.5513 -13.5513 -13.5513 -10.1075 -10.1075 -10.1071 -10.1071 -8.8880 -8.8880 -8.8872 -8.8872 -4.2002 -4.2002 -4.1996 -4.1996 -0.6496 -0.6496 -0.6493 -0.6493 0.0466 0.0466 0.0482 0.0482 0.7422 0.7422 0.7458 0.7458 2.2983 2.2983 2.2995 2.2995 2.6087 2.6087 2.6119 2.6119 3.3152 3.3152 3.3184 3.3184 3.9780 3.9780 3.9781 3.9781 5.3563 5.3563 5.3566 5.3566 11.1865 11.1865 11.1890 11.1890 12.0632 12.0632 12.0634 12.0634 13.0358 13.0358 k = 0.0259 0.0419 0.5377 ( 4284 PWs) bands (ev): -13.5522 -13.5522 -13.5522 -13.5522 -10.1119 -10.1119 -10.1116 -10.1116 -8.8745 -8.8745 -8.8739 -8.8739 -4.2183 -4.2183 -4.2179 -4.2179 -0.6564 -0.6564 -0.6562 -0.6562 0.0569 0.0569 0.0582 0.0582 0.7425 0.7425 0.7453 0.7453 2.3040 2.3040 2.3050 2.3050 2.6132 2.6132 2.6157 2.6157 3.3185 3.3185 3.3210 3.3210 3.9780 3.9780 3.9781 3.9781 5.3643 5.3643 5.3645 5.3645 11.1731 11.1731 11.1750 11.1750 12.0638 12.0638 12.0640 12.0640 13.0243 13.0243 k = 0.0173 0.0279 0.5377 ( 4292 PWs) bands (ev): -13.5529 -13.5529 -13.5528 -13.5528 -10.1150 -10.1150 -10.1148 -10.1148 -8.8648 -8.8648 -8.8644 -8.8644 -4.2314 -4.2314 -4.2311 -4.2311 -0.6613 -0.6613 -0.6612 -0.6612 0.0644 0.0644 0.0652 0.0652 0.7429 0.7429 0.7448 0.7448 2.3082 2.3082 2.3089 2.3089 2.6166 2.6166 2.6182 2.6182 3.3212 3.3212 3.3228 3.3228 3.9780 3.9780 3.9780 3.9780 5.3699 5.3699 5.3701 5.3701 11.1636 11.1636 11.1648 11.1648 12.0643 12.0643 12.0644 12.0644 13.0164 13.0164 k = 0.0086 0.0140 0.5377 ( 4284 PWs) bands (ev): -13.5532 -13.5532 -13.5532 -13.5532 -10.1168 -10.1168 -10.1167 -10.1167 -8.8588 -8.8588 -8.8586 -8.8586 -4.2392 -4.2392 -4.2391 -4.2391 -0.6642 -0.6642 -0.6642 -0.6642 0.0689 0.0689 0.0693 0.0693 0.7434 0.7434 0.7443 0.7443 2.3108 2.3108 2.3111 2.3111 2.6187 2.6187 2.6195 2.6195 3.3230 3.3230 3.3238 3.3238 3.9780 3.9780 3.9780 3.9780 5.3734 5.3734 5.3734 5.3734 11.1579 11.1579 11.1586 11.1586 12.0646 12.0646 12.0647 12.0647 13.0118 13.0118 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -10.1174 -10.1174 -10.1174 -10.1174 -8.8568 -8.8568 -8.8568 -8.8568 -4.2418 -4.2418 -4.2418 -4.2418 -0.6652 -0.6652 -0.6652 -0.6652 0.0705 0.0705 0.0705 0.0705 0.7439 0.7439 0.7439 0.7439 2.3118 2.3118 2.3118 2.3118 2.6197 2.6197 2.6197 2.6197 3.3239 3.3239 3.3239 3.3239 3.9780 3.9780 3.9780 3.9780 5.3745 5.3745 5.3745 5.3745 11.1563 11.1563 11.1563 11.1563 12.0647 12.0647 12.0647 12.0647 13.0103 13.0103 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -10.1174 -10.1174 -10.1174 -10.1174 -8.8568 -8.8568 -8.8568 -8.8568 -4.2418 -4.2418 -4.2418 -4.2418 -0.6652 -0.6652 -0.6652 -0.6652 0.0705 0.0705 0.0705 0.0705 0.7439 0.7439 0.7439 0.7439 2.3118 2.3118 2.3118 2.3118 2.6197 2.6197 2.6197 2.6197 3.3239 3.3239 3.3239 3.3239 3.9780 3.9780 3.9780 3.9780 5.3745 5.3745 5.3745 5.3745 11.1563 11.1563 11.1563 11.1563 12.0647 12.0647 12.0647 12.0647 13.0103 13.0103 k = 0.0000 0.0000 0.5214 ( 4286 PWs) bands (ev): -13.5660 -13.5660 -13.5408 -13.5408 -10.1589 -10.1589 -10.0749 -10.0749 -8.8616 -8.8616 -8.8526 -8.8526 -4.2429 -4.2429 -4.2383 -4.2383 -0.6827 -0.6827 -0.6472 -0.6472 0.0447 0.0447 0.0799 0.0799 0.6660 0.6660 0.8377 0.8377 2.2869 2.2869 2.3321 2.3321 2.6142 2.6142 2.6278 2.6278 3.3149 3.3149 3.3325 3.3325 3.9526 3.9526 4.0018 4.0018 5.3556 5.3556 5.3922 5.3922 11.1528 11.1528 11.1702 11.1702 12.0573 12.0573 12.0718 12.0718 12.9755 12.9755 k = 0.0000 0.0000 0.5051 ( 4282 PWs) bands (ev): -13.5788 -13.5788 -13.5284 -13.5284 -10.1993 -10.1993 -10.0313 -10.0313 -8.8669 -8.8669 -8.8489 -8.8489 -4.2417 -4.2417 -4.2323 -4.2323 -0.6996 -0.6996 -0.6289 -0.6289 -0.0021 -0.0021 0.0779 0.0779 0.6093 0.6093 0.9420 0.9420 2.2576 2.2576 2.3479 2.3479 2.6109 2.6109 2.6388 2.6388 3.3057 3.3057 3.3409 3.3409 3.9257 3.9257 4.0240 4.0240 5.3354 5.3354 5.4085 5.4085 11.1598 11.1598 11.1943 11.1943 12.0502 12.0502 12.0777 12.0777 12.9383 12.9383 k = 0.0000 0.0000 0.4888 ( 4298 PWs) bands (ev): -13.5917 -13.5917 -13.5162 -13.5162 -10.2386 -10.2386 -9.9869 -9.9869 -8.8728 -8.8728 -8.8459 -8.8459 -4.2381 -4.2381 -4.2238 -4.2238 -0.7160 -0.7160 -0.6103 -0.6103 -0.0711 -0.0711 0.0685 0.0685 0.5751 0.5751 1.0521 1.0521 2.2240 2.2240 2.3589 2.3589 2.6096 2.6096 2.6531 2.6531 3.2961 3.2961 3.3488 3.3488 3.8974 3.8974 4.0447 4.0447 5.3141 5.3141 5.4236 5.4236 11.1773 11.1773 11.2286 11.2286 12.0437 12.0437 12.0814 12.0814 12.9005 12.9005 k = 0.0000 0.0000 0.4725 ( 4296 PWs) bands (ev): -13.6045 -13.6045 -13.5042 -13.5042 -10.2767 -10.2767 -9.9415 -9.9415 -8.8792 -8.8792 -8.8434 -8.8434 -4.2322 -4.2322 -4.2129 -4.2129 -0.7316 -0.7316 -0.5914 -0.5914 -0.1589 -0.1589 0.0544 0.0544 0.5604 0.5604 1.1646 1.1646 2.1863 2.1863 2.3651 2.3651 2.6100 2.6100 2.6713 2.6713 3.2863 3.2863 3.3563 3.3563 3.8680 3.8680 4.0639 4.0639 5.2917 5.2917 5.4373 5.4373 11.2051 11.2051 11.2727 11.2727 12.0382 12.0382 12.0815 12.0815 12.8643 12.8643 k = 0.0000 0.0000 0.4563 ( 4292 PWs) bands (ev): -13.6174 -13.6174 -13.4924 -13.4924 -10.3135 -10.3135 -9.8954 -9.8954 -8.8860 -8.8860 -8.8415 -8.8415 -4.2242 -4.2242 -4.1995 -4.1995 -0.7465 -0.7465 -0.5725 -0.5725 -0.2600 -0.2600 0.0375 0.0375 0.5601 0.5601 1.2771 1.2771 2.1445 2.1445 2.3665 2.3665 2.6118 2.6118 2.6941 2.6941 3.2764 3.2764 3.3635 3.3635 3.8377 3.8377 4.0818 4.0818 5.2683 5.2683 5.4496 5.4496 11.2430 11.2430 11.3261 11.3261 12.0337 12.0337 12.0765 12.0765 12.8318 12.8318 k = 0.0000 0.0000 0.4400 ( 4300 PWs) bands (ev): -13.6302 -13.6302 -13.4809 -13.4809 -10.3492 -10.3492 -9.8486 -9.8486 -8.8933 -8.8933 -8.8402 -8.8402 -4.2141 -4.2141 -4.1838 -4.1838 -0.7605 -0.7605 -0.5534 -0.5534 -0.3698 -0.3698 0.0187 0.0187 0.5698 0.5698 1.3874 1.3874 2.0989 2.0989 2.3629 2.3629 2.6150 2.6150 2.7220 2.7220 3.2662 3.2662 3.3702 3.3702 3.8067 3.8067 4.0985 4.0985 5.2439 5.2439 5.4607 5.4607 11.2907 11.2907 11.3886 11.3886 12.0304 12.0304 12.0648 12.0648 12.8056 12.8056 k = 0.0000 0.0000 0.4237 ( 4292 PWs) bands (ev): -13.6430 -13.6430 -13.4697 -13.4697 -10.3835 -10.3835 -9.8012 -9.8012 -8.9009 -8.9009 -8.8394 -8.8394 -4.2021 -4.2021 -4.1658 -4.1658 -0.7736 -0.7736 -0.5345 -0.5345 -0.4844 -0.4844 -0.0012 -0.0012 0.5862 0.5862 1.4939 1.4939 2.0497 2.0497 2.3543 2.3543 2.6193 2.6193 2.7558 2.7558 3.2560 3.2560 3.3766 3.3766 3.7756 3.7756 4.1143 4.1143 5.2187 5.2187 5.4705 5.4705 11.3480 11.3480 11.4596 11.4596 12.0283 12.0283 12.0448 12.0448 12.7875 12.7875 k = 0.0000 0.0000 0.4074 ( 4288 PWs) bands (ev): -13.6557 -13.6557 -13.4587 -13.4587 -10.4166 -10.4166 -9.7533 -9.7533 -8.9089 -8.9089 -8.8392 -8.8392 -4.1882 -4.1882 -4.1456 -4.1456 -0.7857 -0.7857 -0.6022 -0.6022 -0.5152 -0.5152 -0.0216 -0.0216 0.6069 0.6069 1.5951 1.5951 1.9972 1.9972 2.3408 2.3408 2.6245 2.6245 2.7962 2.7962 3.2457 3.2457 3.3825 3.3825 3.7446 3.7446 4.1292 4.1292 5.1929 5.1929 5.4791 5.4791 11.4145 11.4145 11.5384 11.5384 12.0158 12.0158 12.0273 12.0273 12.7789 12.7789 k = 0.0000 0.0000 0.3911 ( 4284 PWs) bands (ev): -13.6682 -13.6682 -13.4481 -13.4481 -10.4484 -10.4484 -9.7050 -9.7050 -8.9172 -8.9172 -8.8395 -8.8395 -4.1727 -4.1727 -4.1233 -4.1233 -0.7967 -0.7967 -0.7206 -0.7206 -0.4965 -0.4965 -0.0422 -0.0422 0.6308 0.6308 1.6896 1.6896 1.9416 1.9416 2.3222 2.3222 2.6304 2.6304 2.8439 2.8439 3.2355 3.2355 3.3880 3.3880 3.7142 3.7142 4.1434 4.1434 5.1665 5.1665 5.4865 5.4865 11.4897 11.4897 11.6244 11.6244 11.9778 11.9778 12.0274 12.0274 12.7801 12.7801 k = 0.0000 0.0000 0.3748 ( 4280 PWs) bands (ev): -13.6806 -13.6806 -13.4378 -13.4378 -10.4789 -10.4789 -9.6565 -9.6565 -8.9256 -8.9256 -8.8402 -8.8402 -4.1557 -4.1557 -4.0990 -4.0990 -0.8390 -0.8390 -0.8066 -0.8066 -0.4778 -0.4778 -0.0628 -0.0628 0.6568 0.6568 1.7764 1.7764 1.8832 1.8832 2.2987 2.2987 2.6370 2.6370 2.8991 2.8991 3.2255 3.2255 3.3931 3.3931 3.6847 3.6847 4.1572 4.1572 5.1396 5.1396 5.4929 5.4929 11.5732 11.5732 11.7169 11.7169 11.9313 11.9313 12.0284 12.0284 12.7908 12.7908 k = 0.0000 0.0000 0.3585 ( 4282 PWs) bands (ev): -13.6927 -13.6927 -13.4279 -13.4279 -10.5081 -10.5081 -9.6078 -9.6078 -8.9343 -8.9343 -8.8414 -8.8414 -4.1373 -4.1373 -4.0728 -4.0728 -0.9565 -0.9565 -0.8153 -0.8153 -0.4595 -0.4595 -0.0831 -0.0831 0.6842 0.6842 1.8224 1.8224 1.8550 1.8550 2.2705 2.2705 2.6441 2.6441 2.9618 2.9618 3.2162 3.2162 3.3978 3.3978 3.6564 3.6564 4.1705 4.1705 5.1124 5.1124 5.4982 5.4982 11.6644 11.6644 11.8149 11.8149 11.8778 11.8778 12.0301 12.0301 12.8099 12.8099 k = 0.0000 0.0000 0.3422 ( 4292 PWs) bands (ev): -13.7046 -13.7046 -13.4183 -13.4183 -10.5359 -10.5359 -9.5592 -9.5592 -8.9430 -8.9430 -8.8430 -8.8430 -4.1177 -4.1177 -4.0449 -4.0449 -1.0724 -1.0724 -0.8228 -0.8228 -0.4415 -0.4415 -0.1030 -0.1030 0.7127 0.7127 1.7595 1.7595 1.9249 1.9249 2.2377 2.2377 2.6514 2.6514 3.0305 3.0305 3.2086 3.2086 3.4021 3.4021 3.6297 3.6297 4.1835 4.1835 5.0850 5.0850 5.5027 5.5027 11.7629 11.7629 11.8185 11.8185 11.9173 11.9173 12.0324 12.0324 12.8364 12.8364 k = 0.0000 0.0000 0.3259 ( 4292 PWs) bands (ev): -13.7162 -13.7162 -13.4092 -13.4092 -10.5624 -10.5624 -9.5108 -9.5108 -8.9519 -8.9519 -8.8449 -8.8449 -4.0972 -4.0972 -4.0155 -4.0155 -1.1862 -1.1862 -0.8290 -0.8290 -0.4238 -0.4238 -0.1225 -0.1225 0.7418 0.7418 1.6949 1.6949 1.9865 1.9865 2.2006 2.2006 2.6590 2.6590 3.0999 3.0999 3.2073 3.2073 3.4060 3.4060 3.6047 3.6047 4.1964 4.1964 5.0577 5.0577 5.5064 5.5064 11.7546 11.7546 11.8683 11.8683 12.0225 12.0225 12.0354 12.0354 12.8688 12.8688 k = 0.0000 0.0000 0.3096 ( 4296 PWs) bands (ev): -13.7275 -13.7275 -13.4004 -13.4004 -10.5876 -10.5876 -9.4627 -9.4627 -8.9607 -8.9607 -8.8471 -8.8471 -4.0758 -4.0758 -3.9849 -3.9849 -1.2974 -1.2974 -0.8339 -0.8339 -0.4066 -0.4066 -0.1414 -0.1414 0.7713 0.7713 1.6291 1.6291 2.0404 2.0404 2.1596 2.1596 2.6665 2.6665 3.1462 3.1462 3.2353 3.2353 3.4097 3.4097 3.5817 3.5817 4.2090 4.2090 5.0304 5.0304 5.5094 5.5094 11.6877 11.6877 11.9797 11.9797 12.0379 12.0379 12.1296 12.1296 12.9062 12.9062 k = 0.0000 0.0000 0.2933 ( 4290 PWs) bands (ev): -13.7385 -13.7385 -13.3920 -13.3920 -10.6114 -10.6114 -9.4151 -9.4151 -8.9694 -8.9694 -8.8496 -8.8496 -4.0539 -4.0539 -3.9530 -3.9530 -1.4057 -1.4057 -0.8374 -0.8374 -0.3899 -0.3899 -0.1595 -0.1595 0.8009 0.8009 1.5624 1.5624 2.0874 2.0874 2.1152 2.1152 2.6740 2.6740 3.1528 3.1528 3.3075 3.3075 3.4131 3.4131 3.5606 3.5606 4.2216 4.2216 5.0035 5.0035 5.5118 5.5118 11.6185 11.6185 12.0408 12.0408 12.0968 12.0968 12.2352 12.2352 12.9476 12.9476 k = 0.0000 0.0000 0.2770 ( 4298 PWs) bands (ev): -13.7491 -13.7491 -13.3840 -13.3840 -10.6339 -10.6339 -9.3683 -9.3683 -8.9781 -8.9781 -8.8523 -8.8523 -4.0316 -4.0316 -3.9204 -3.9204 -1.5106 -1.5106 -0.8396 -0.8396 -0.3737 -0.3737 -0.1770 -0.1770 0.8304 0.8304 1.4954 1.4954 2.0679 2.0679 2.1285 2.1285 2.6813 2.6813 3.1470 3.1470 3.3939 3.3939 3.4177 3.4177 3.5415 3.5415 4.2341 4.2341 4.9769 4.9769 5.5139 5.5139 11.5480 11.5480 12.0435 12.0435 12.2189 12.2189 12.3359 12.3359 12.9921 12.9921 k = 0.0000 0.0000 0.2607 ( 4306 PWs) bands (ev): -13.7592 -13.7592 -13.3764 -13.3764 -10.6551 -10.6551 -9.3224 -9.3224 -8.9866 -8.9866 -8.8552 -8.8552 -4.0091 -4.0091 -3.8871 -3.8871 -1.6118 -1.6118 -0.8405 -0.8405 -0.3581 -0.3581 -0.1937 -0.1937 0.8596 0.8596 1.4284 1.4284 2.0182 2.0182 2.1645 2.1645 2.6882 2.6882 3.1386 3.1386 3.4178 3.4178 3.4887 3.4887 3.5248 3.5248 4.2464 4.2464 4.9509 4.9509 5.5156 5.5156 11.4769 11.4769 12.0459 12.0459 12.3455 12.3455 12.4266 12.4266 13.0386 13.0386 k = 0.0000 0.0000 0.2444 ( 4310 PWs) bands (ev): -13.7690 -13.7690 -13.3693 -13.3693 -10.6750 -10.6750 -9.2776 -9.2776 -8.9948 -8.9948 -8.8581 -8.8581 -3.9867 -3.9867 -3.8535 -3.8535 -1.7089 -1.7089 -0.8402 -0.8402 -0.3431 -0.3431 -0.2095 -0.2095 0.8883 0.8883 1.3619 1.3619 1.9668 1.9668 2.1963 2.1963 2.6948 2.6948 3.1293 3.1293 3.4207 3.4207 3.5084 3.5084 3.5836 3.5836 4.2585 4.2585 4.9257 4.9257 5.5173 5.5173 11.4059 11.4059 12.0478 12.0478 12.4758 12.4758 12.5009 12.5009 13.0673 13.0673 k = 0.0000 0.0000 0.2281 ( 4308 PWs) bands (ev): -13.7782 -13.7782 -13.3626 -13.3626 -10.6935 -10.6935 -9.2341 -9.2341 -9.0028 -9.0028 -8.8611 -8.8611 -3.9645 -3.9645 -3.8198 -3.8198 -1.8018 -1.8018 -0.8386 -0.8386 -0.3287 -0.3287 -0.2245 -0.2245 0.9164 0.9164 1.2965 1.2965 1.9143 1.9143 2.2244 2.2244 2.7008 2.7008 3.1199 3.1199 3.4230 3.4230 3.4951 3.4951 3.6770 3.6770 4.2705 4.2705 4.9013 4.9013 5.5189 5.5189 11.3357 11.3357 12.0492 12.0492 12.5510 12.5510 12.6100 12.6100 13.0772 13.0772 k = 0.0000 0.0000 0.2118 ( 4300 PWs) bands (ev): -13.7869 -13.7869 -13.3563 -13.3563 -10.7108 -10.7108 -9.1923 -9.1923 -9.0104 -9.0104 -8.8642 -8.8642 -3.9427 -3.9427 -3.7863 -3.7863 -1.8899 -1.8899 -0.8359 -0.8359 -0.3151 -0.3151 -0.2385 -0.2385 0.9436 0.9436 1.2325 1.2325 1.8615 1.8615 2.2496 2.2496 2.7063 2.7063 3.1104 3.1104 3.4252 3.4252 3.4832 3.4832 3.7688 3.7688 4.2821 4.2821 4.8780 4.8780 5.5207 5.5207 11.2668 11.2668 12.0500 12.0500 12.5747 12.5747 12.7463 12.7463 13.0901 13.0901 k = 0.0000 0.0000 0.1955 ( 4294 PWs) bands (ev): -13.7951 -13.7951 -13.3505 -13.3505 -10.7267 -10.7267 -9.1522 -9.1522 -9.0177 -9.0177 -8.8672 -8.8672 -3.9216 -3.9216 -3.7534 -3.7534 -1.9730 -1.9730 -0.8321 -0.8321 -0.3023 -0.3023 -0.2516 -0.2516 0.9698 0.9698 1.1706 1.1706 1.8088 1.8088 2.2721 2.2721 2.7112 2.7112 3.1012 3.1012 3.4271 3.4271 3.4729 3.4729 3.8577 3.8577 4.2934 4.2934 4.8557 4.8557 5.5227 5.5227 11.1998 11.1998 12.0502 12.0502 12.5741 12.5741 12.8847 12.8847 13.1065 13.1065 k = 0.0000 0.0000 0.1792 ( 4290 PWs) bands (ev): -13.8028 -13.8028 -13.3452 -13.3452 -10.7413 -10.7413 -9.1142 -9.1142 -9.0245 -9.0245 -8.8702 -8.8702 -3.9014 -3.9014 -3.7214 -3.7214 -2.0509 -2.0509 -0.8275 -0.8275 -0.2903 -0.2903 -0.2635 -0.2635 0.9948 0.9948 1.1111 1.1111 1.7572 1.7572 2.2924 2.2924 2.7155 2.7155 3.0923 3.0923 3.4288 3.4288 3.4640 3.4640 3.9427 3.9427 4.3043 4.3043 4.8348 4.8348 5.5251 5.5251 11.1352 11.1352 12.0500 12.0500 12.5560 12.5560 13.0244 13.0244 13.1262 13.1262 k = 0.0000 0.0000 0.1629 ( 4302 PWs) bands (ev): -13.8099 -13.8099 -13.3403 -13.3403 -10.7547 -10.7547 -9.0786 -9.0786 -9.0309 -9.0309 -8.8730 -8.8730 -3.8822 -3.8822 -3.6906 -3.6906 -2.1232 -2.1232 -0.8221 -0.8221 -0.2805 -0.2805 -0.2732 -0.2732 1.0182 1.0182 1.0548 1.0548 1.7071 1.7071 2.3106 2.3106 2.7191 2.7191 3.0837 3.0837 3.4301 3.4301 3.4566 3.4566 4.0228 4.0228 4.3146 4.3146 4.8152 4.8152 5.5278 5.5278 11.0737 11.0737 12.0492 12.0492 12.5276 12.5276 13.1489 13.1489 13.1648 13.1648 k = 0.0000 0.0000 0.1467 ( 4310 PWs) bands (ev): -13.8163 -13.8163 -13.3358 -13.3358 -10.7667 -10.7667 -9.0458 -9.0458 -9.0363 -9.0363 -8.8757 -8.8757 -3.8643 -3.8643 -3.6614 -3.6614 -2.1896 -2.1896 -0.8161 -0.8161 -0.2859 -0.2859 -0.2674 -0.2674 1.0012 1.0012 1.0409 1.0409 1.6593 1.6593 2.3270 2.3270 2.7221 2.7221 3.0757 3.0757 3.4310 3.4310 3.4507 3.4507 4.0972 4.0972 4.3243 4.3243 4.7971 4.7971 5.5310 5.5310 11.0157 11.0157 12.0481 12.0481 12.4941 12.4941 13.1746 13.1746 13.3048 13.3048 k = 0.0000 0.0000 0.1304 ( 4310 PWs) bands (ev): -13.8222 -13.8222 -13.3319 -13.3319 -10.7775 -10.7775 -9.0425 -9.0425 -9.0146 -9.0146 -8.8782 -8.8782 -3.8477 -3.8477 -3.6341 -3.6341 -2.2499 -2.2499 -0.8099 -0.8099 -0.2948 -0.2948 -0.2581 -0.2581 0.9523 0.9523 1.0610 1.0610 1.6144 1.6144 2.3416 2.3416 2.7245 2.7245 3.0682 3.0682 3.4310 3.4310 3.4466 3.4466 4.1653 4.1653 4.3333 4.3333 4.7807 4.7807 5.5346 5.5346 10.9619 10.9619 12.0467 12.0467 12.4593 12.4593 13.2026 13.2026 13.4211 13.4211 k = 0.0000 0.0000 0.1141 ( 4310 PWs) bands (ev): -13.8274 -13.8274 -13.3283 -13.3283 -10.7869 -10.7869 -9.0472 -9.0472 -8.9872 -8.9872 -8.8805 -8.8805 -3.8327 -3.8327 -3.6091 -3.6091 -2.3038 -2.3038 -0.8035 -0.8035 -0.3028 -0.3028 -0.2495 -0.2495 0.9077 0.9077 1.0794 1.0794 1.5731 1.5731 2.3545 2.3545 2.7264 2.7264 3.0613 3.0613 3.4299 3.4299 3.4443 3.4443 4.2265 4.2265 4.3415 4.3415 4.7659 4.7659 5.5385 5.5385 10.9128 10.9128 12.0451 12.0451 12.4254 12.4254 13.2325 13.2325 13.4601 13.4601 k = 0.0000 0.0000 0.0978 ( 4306 PWs) bands (ev): -13.8319 -13.8319 -13.3253 -13.3253 -10.7951 -10.7951 -9.0515 -9.0515 -8.9630 -8.9630 -8.8825 -8.8825 -3.8194 -3.8194 -3.5866 -3.5866 -2.3510 -2.3510 -0.7973 -0.7973 -0.3098 -0.3098 -0.2418 -0.2418 0.8679 0.8679 1.0958 1.0958 1.5359 1.5359 2.3657 2.3657 2.7278 2.7278 3.0552 3.0552 3.4279 3.4279 3.4436 3.4436 4.2803 4.2803 4.3488 4.3488 4.7529 4.7529 5.5426 5.5426 10.8689 10.8689 12.0435 12.0435 12.3941 12.3941 13.2636 13.2636 13.4948 13.4948 k = 0.0000 0.0000 0.0815 ( 4304 PWs) bands (ev): -13.8358 -13.8358 -13.3227 -13.3227 -10.8021 -10.8021 -9.0551 -9.0551 -8.9421 -8.9421 -8.8843 -8.8843 -3.8080 -3.8080 -3.5670 -3.5670 -2.3913 -2.3913 -0.7915 -0.7915 -0.3158 -0.3158 -0.2352 -0.2352 0.8334 0.8334 1.1099 1.1099 1.5033 1.5033 2.3752 2.3752 2.7288 2.7288 3.0499 3.0499 3.4257 3.4257 3.4438 3.4438 4.3262 4.3262 4.3551 4.3551 4.7418 4.7418 5.5466 5.5466 10.8308 10.8308 12.0419 12.0419 12.3663 12.3663 13.2948 13.2948 13.5247 13.5247 k = 0.0000 0.0000 0.0652 ( 4308 PWs) bands (ev): -13.8389 -13.8389 -13.3206 -13.3206 -10.8077 -10.8077 -9.0581 -9.0581 -8.9247 -8.9247 -8.8857 -8.8857 -3.7984 -3.7984 -3.5506 -3.5506 -2.4247 -2.4247 -0.7864 -0.7864 -0.3207 -0.3207 -0.2297 -0.2297 0.8045 0.8045 1.1217 1.1217 1.4760 1.4760 2.3831 2.3831 2.7295 2.7295 3.0454 3.0454 3.4236 3.4236 3.4442 3.4442 4.3603 4.3603 4.3641 4.3641 4.7327 4.7327 5.5504 5.5504 10.7988 10.7988 12.0405 12.0405 12.3428 12.3428 13.3248 13.3248 13.5496 13.5496 k = 0.0000 0.0000 0.0489 ( 4304 PWs) bands (ev): -13.8414 -13.8414 -13.3189 -13.3189 -10.8121 -10.8121 -9.0604 -9.0604 -8.9111 -8.9111 -8.8869 -8.8869 -3.7909 -3.7909 -3.5375 -3.5375 -2.4507 -2.4507 -0.7821 -0.7821 -0.3245 -0.3245 -0.2253 -0.2253 0.7817 0.7817 1.1309 1.1309 1.4542 1.4542 2.3892 2.3892 2.7300 2.7300 3.0418 3.0418 3.4219 3.4219 3.4448 3.4448 4.3646 4.3646 4.3936 4.3936 4.7255 4.7255 5.5538 5.5538 10.7736 10.7736 12.0393 12.0393 12.3242 12.3242 13.3520 13.3520 13.5691 13.5691 k = 0.0000 0.0000 0.0326 ( 4303 PWs) bands (ev): -13.8432 -13.8432 -13.3178 -13.3178 -10.8153 -10.8153 -9.0621 -9.0621 -8.9013 -8.9013 -8.8877 -8.8877 -3.7855 -3.7855 -3.5280 -3.5280 -2.4695 -2.4695 -0.7789 -0.7789 -0.3272 -0.3272 -0.2221 -0.2221 0.7652 0.7652 1.1376 1.1376 1.4384 1.4384 2.3936 2.3936 2.7303 2.7303 3.0392 3.0392 3.4207 3.4207 3.4452 3.4452 4.3676 4.3676 4.4148 4.4148 4.7203 4.7203 5.5563 5.5563 10.7552 10.7552 12.0384 12.0384 12.3106 12.3106 13.3740 13.3740 13.5830 13.5830 k = 0.0000 0.0000 0.0163 ( 4303 PWs) bands (ev): -13.8443 -13.8443 -13.3171 -13.3171 -10.8172 -10.8172 -9.0631 -9.0631 -8.8954 -8.8954 -8.8881 -8.8881 -3.7822 -3.7822 -3.5223 -3.5223 -2.4807 -2.4807 -0.7770 -0.7770 -0.3289 -0.3289 -0.2202 -0.2202 0.7552 0.7552 1.1417 1.1417 1.4288 1.4288 2.3963 2.3963 2.7304 2.7304 3.0377 3.0377 3.4200 3.4200 3.4455 3.4455 4.3694 4.3694 4.4276 4.4276 4.7172 4.7172 5.5580 5.5580 10.7441 10.7441 12.0378 12.0378 12.3024 12.3024 13.3886 13.3886 13.5914 13.5914 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8446 -13.8446 -13.3168 -13.3168 -10.8178 -10.8178 -9.0635 -9.0635 -8.8936 -8.8936 -8.8881 -8.8881 -3.7811 -3.7811 -3.5203 -3.5203 -2.4845 -2.4845 -0.7763 -0.7763 -0.3294 -0.3294 -0.2196 -0.2196 0.7519 0.7519 1.1430 1.1430 1.4256 1.4256 2.3972 2.3972 2.7305 2.7305 3.0372 3.0372 3.4197 3.4197 3.4456 3.4456 4.3700 4.3700 4.4318 4.4318 4.7161 4.7161 5.5586 5.5586 10.7404 10.7404 12.0376 12.0376 12.2996 12.2996 13.3938 13.3938 13.5941 13.5941 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8446 -13.8446 -13.3168 -13.3168 -10.8178 -10.8178 -9.0635 -9.0635 -8.8936 -8.8936 -8.8881 -8.8881 -3.7811 -3.7811 -3.5203 -3.5203 -2.4845 -2.4845 -0.7763 -0.7763 -0.3294 -0.3294 -0.2196 -0.2196 0.7519 0.7519 1.1430 1.1430 1.4256 1.4256 2.3972 2.3972 2.7305 2.7305 3.0372 3.0372 3.4197 3.4197 3.4456 3.4456 4.3700 4.3700 4.4318 4.4318 4.7161 4.7161 5.5586 5.5586 10.7404 10.7404 12.0376 12.0376 12.2996 12.2996 13.3938 13.3938 13.5941 13.5941 k =-0.0139 0.0086 0.0000 ( 4301 PWs) bands (ev): -13.8441 -13.8441 -13.3168 -13.3168 -10.8192 -10.8192 -9.0634 -9.0633 -8.8997 -8.8974 -8.8844 -8.8819 -3.7789 -3.7787 -3.5203 -3.5201 -2.4836 -2.4834 -0.7774 -0.7770 -0.3280 -0.3279 -0.2214 -0.2210 0.7505 0.7506 1.1442 1.1443 1.4241 1.4242 2.3989 2.3989 2.7304 2.7304 3.0366 3.0368 3.4170 3.4171 3.4448 3.4449 4.3699 4.3701 4.4311 4.4314 4.7171 4.7173 5.5579 5.5579 10.7436 10.7436 12.0302 12.0304 12.3069 12.3081 13.3942 13.3942 13.5930 13.5934 k =-0.0278 0.0172 0.0000 ( 4303 PWs) bands (ev): -13.8426 -13.8426 -13.3169 -13.3168 -10.8235 -10.8235 -9.0630 -9.0629 -8.9068 -8.9044 -8.8774 -8.8748 -3.7720 -3.7716 -3.5199 -3.5194 -2.4808 -2.4804 -0.7802 -0.7795 -0.3234 -0.3232 -0.2264 -0.2257 0.7466 0.7468 1.1477 1.1480 1.4197 1.4199 2.4040 2.4040 2.7302 2.7303 3.0353 3.0357 3.4087 3.4088 3.4429 3.4430 4.3698 4.3702 4.4294 4.4300 4.7202 4.7204 5.5558 5.5558 10.7530 10.7531 12.0105 12.0108 12.3276 12.3298 13.3957 13.3957 13.5901 13.5907 k =-0.0417 0.0258 0.0000 ( 4303 PWs) bands (ev): -13.8401 -13.8401 -13.3169 -13.3168 -10.8306 -10.8305 -9.0624 -9.0622 -8.9140 -8.9116 -8.8704 -8.8676 -3.7605 -3.7598 -3.5192 -3.5185 -2.4760 -2.4754 -0.7848 -0.7838 -0.3159 -0.3156 -0.2347 -0.2336 0.7401 0.7404 1.1537 1.1540 1.4126 1.4129 2.4124 2.4124 2.7298 2.7299 3.0330 3.0337 3.3947 3.3949 3.4399 3.4401 4.3698 4.3703 4.4267 4.4274 4.7252 4.7256 5.5524 5.5524 10.7687 10.7689 11.9833 11.9835 12.3571 12.3601 13.3981 13.3981 13.5852 13.5861 k =-0.0556 0.0344 0.0000 ( 4303 PWs) bands (ev): -13.8366 -13.8366 -13.3170 -13.3169 -10.8404 -10.8403 -9.0615 -9.0613 -8.9210 -8.9188 -8.8635 -8.8606 -3.7443 -3.7435 -3.5180 -3.5171 -2.4694 -2.4686 -0.7911 -0.7897 -0.3055 -0.3052 -0.2460 -0.2446 0.7311 0.7314 1.1620 1.1624 1.4029 1.4032 2.4239 2.4239 2.7292 2.7294 3.0299 3.0308 3.3753 3.3754 3.4361 3.4363 4.3699 4.3705 4.4228 4.4238 4.7320 4.7325 5.5477 5.5477 10.7906 10.7907 11.9524 11.9525 12.3914 12.3951 13.4014 13.4015 13.5784 13.5795 k =-0.0694 0.0430 0.0000 ( 4309 PWs) bands (ev): -13.8322 -13.8321 -13.3171 -13.3169 -10.8528 -10.8527 -9.0604 -9.0602 -8.9280 -8.9257 -8.8567 -8.8538 -3.7237 -3.7226 -3.5165 -3.5153 -2.4610 -2.4600 -0.7988 -0.7972 -0.2926 -0.2920 -0.2602 -0.2585 0.7197 0.7201 1.1726 1.1731 1.3906 1.3910 2.4381 2.4382 2.7284 2.7286 3.0259 3.0270 3.3506 3.3507 3.4315 3.4317 4.3701 4.3709 4.4178 4.4190 4.7405 4.7411 5.5417 5.5417 10.8183 10.8185 11.9201 11.9205 12.4281 12.4323 13.4057 13.4059 13.5695 13.5708 k =-0.0833 0.0516 0.0000 ( 4313 PWs) bands (ev): -13.8267 -13.8266 -13.3172 -13.3170 -10.8678 -10.8677 -9.0592 -9.0589 -8.9347 -8.9326 -8.8502 -8.8472 -3.6985 -3.6973 -3.5144 -3.5131 -2.4510 -2.4497 -0.8080 -0.8061 -0.2808 -0.2782 -0.2734 -0.2733 0.7061 0.7065 1.1854 1.1860 1.3760 1.3765 2.4549 2.4550 2.7274 2.7276 3.0208 3.0223 3.3212 3.3213 3.4260 3.4262 4.3706 4.3714 4.4117 4.4131 4.7504 4.7510 5.5345 5.5345 10.8518 10.8521 11.8882 11.8888 12.4657 12.4703 13.4110 13.4111 13.5586 13.5601 k =-0.0972 0.0602 0.0000 ( 4305 PWs) bands (ev): -13.8203 -13.8202 -13.3173 -13.3171 -10.8852 -10.8850 -9.0578 -9.0574 -8.9412 -8.9392 -8.8439 -8.8409 -3.6691 -3.6676 -3.5118 -3.5102 -2.4394 -2.4379 -0.8184 -0.8162 -0.2981 -0.2953 -0.2577 -0.2575 0.6902 0.6907 1.2004 1.2010 1.3593 1.3598 2.4737 2.4739 2.7260 2.7263 3.0147 3.0166 3.2876 3.2878 3.4198 3.4200 4.3713 4.3722 4.4044 4.4060 4.7614 4.7621 5.5263 5.5263 10.8908 10.8910 11.8577 11.8586 12.5030 12.5081 13.4172 13.4174 13.5456 13.5471 k =-0.1111 0.0688 0.0000 ( 4297 PWs) bands (ev): -13.8131 -13.8129 -13.3174 -13.3172 -10.9049 -10.9047 -9.0562 -9.0559 -8.9475 -8.9455 -8.8379 -8.8348 -3.6354 -3.6337 -3.5085 -3.5068 -2.4264 -2.4246 -0.8301 -0.8276 -0.3203 -0.3172 -0.2373 -0.2370 0.6724 0.6728 1.2175 1.2181 1.3406 1.3412 2.4942 2.4945 2.7242 2.7246 3.0071 3.0095 3.2505 3.2509 3.4128 3.4131 4.3724 4.3733 4.3959 4.3976 4.7733 4.7740 5.5170 5.5170 10.9349 10.9352 11.8293 11.8306 12.5396 12.5450 13.4243 13.4245 13.5303 13.5320 k =-0.1250 0.0774 0.0000 ( 4298 PWs) bands (ev): -13.8049 -13.8047 -13.3175 -13.3173 -10.9266 -10.9264 -9.0546 -9.0542 -8.9535 -8.9516 -8.8322 -8.8291 -3.5976 -3.5957 -3.5046 -3.5027 -2.4122 -2.4102 -0.8428 -0.8400 -0.3449 -0.3415 -0.2145 -0.2142 0.6526 0.6530 1.2365 1.2372 1.3201 1.3208 2.5159 2.5163 2.7220 2.7225 2.9978 3.0008 3.2110 3.2119 3.4052 3.4054 4.3737 4.3746 4.3861 4.3880 4.7859 4.7866 5.5068 5.5068 10.9839 10.9842 11.8035 11.8051 12.5748 12.5806 13.4323 13.4326 13.5129 13.5146 k =-0.1389 0.0860 0.0000 ( 4298 PWs) bands (ev): -13.7959 -13.7957 -13.3177 -13.3174 -10.9503 -10.9500 -9.0529 -9.0525 -8.9592 -8.9573 -8.8269 -8.8237 -3.5559 -3.5538 -3.5000 -3.4979 -2.3969 -2.3946 -0.8565 -0.8535 -0.3716 -0.3678 -0.1897 -0.1893 0.6310 0.6315 1.2574 1.2582 1.2981 1.2986 2.5382 2.5387 2.7194 2.7199 2.9857 2.9895 3.1707 3.1721 3.3969 3.3971 4.3743 4.3749 4.3771 4.3776 4.7989 4.7995 5.4959 5.4959 11.0375 11.0378 11.7809 11.7827 12.6084 12.6144 13.4410 13.4415 13.4932 13.4951 k =-0.1528 0.0946 0.0000 ( 4298 PWs) bands (ev): -13.7860 -13.7859 -13.3178 -13.3176 -10.9757 -10.9754 -9.0512 -9.0507 -8.9646 -8.9628 -8.8219 -8.8187 -3.5103 -3.5081 -3.4945 -3.4923 -2.3807 -2.3782 -0.8712 -0.8679 -0.4000 -0.3958 -0.1629 -0.1625 0.6079 0.6083 1.2730 1.2749 1.2810 1.2816 2.5604 2.5611 2.7162 2.7168 2.9694 2.9742 3.1321 3.1342 3.3881 3.3883 4.3625 4.3647 4.3775 4.3784 4.8121 4.8127 5.4843 5.4843 11.0952 11.0955 11.7616 11.7637 12.6400 12.6463 13.4496 13.4507 13.4721 13.4743 k =-0.1667 0.1032 0.0000 ( 4290 PWs) bands (ev): -13.7755 -13.7753 -13.3180 -13.3177 -11.0026 -11.0024 -9.0495 -9.0490 -8.9696 -8.9678 -8.8174 -8.8142 -3.4881 -3.4859 -3.4612 -3.4587 -2.3639 -2.3611 -0.8867 -0.8832 -0.4299 -0.4253 -0.1344 -0.1340 0.5833 0.5837 1.2488 1.2499 1.3052 1.3055 2.5816 2.5826 2.7124 2.7130 2.9468 2.9525 3.0988 3.1014 3.3787 3.3790 4.3489 4.3512 4.3796 4.3804 4.8254 4.8259 5.4722 5.4722 11.1567 11.1570 11.7459 11.7482 12.6696 12.6760 13.4446 13.4447 13.4648 13.4660 k =-0.1806 0.1117 0.0000 ( 4290 PWs) bands (ev): -13.7642 -13.7640 -13.3181 -13.3179 -11.0309 -11.0306 -9.0478 -9.0473 -8.9743 -8.9726 -8.8133 -8.8100 -3.4809 -3.4785 -3.4086 -3.4059 -2.3466 -2.3435 -0.9031 -0.8993 -0.4609 -0.4560 -0.1041 -0.1037 0.5574 0.5578 1.2224 1.2234 1.3313 1.3317 2.6008 2.6021 2.7079 2.7087 2.9160 2.9222 3.0740 3.0767 3.3690 3.3692 4.3340 4.3363 4.3819 4.3826 4.8385 4.8389 5.4598 5.4598 11.2216 11.2219 11.7340 11.7365 12.6969 12.7035 13.4193 13.4200 13.4758 13.4760 k =-0.1944 0.1203 0.0000 ( 4302 PWs) bands (ev): -13.7522 -13.7520 -13.3183 -13.3181 -11.0603 -11.0600 -9.0461 -9.0456 -8.9786 -8.9769 -8.8096 -8.8063 -3.4727 -3.4703 -3.3527 -3.3499 -2.3290 -2.3256 -0.9204 -0.9164 -0.4928 -0.4876 -0.0724 -0.0720 0.5303 0.5307 1.1946 1.1956 1.3591 1.3593 2.6163 2.6180 2.7028 2.7037 2.8780 2.8842 3.0589 3.0612 3.3588 3.3591 4.3178 4.3202 4.3843 4.3849 4.8513 4.8517 5.4471 5.4471 11.2895 11.2898 11.7260 11.7286 12.7220 12.7286 13.3911 13.3918 13.4884 13.4885 k =-0.2083 0.1289 0.0000 ( 4294 PWs) bands (ev): -13.7397 -13.7395 -13.3185 -13.3182 -11.0907 -11.0903 -9.0446 -9.0440 -8.9824 -8.9808 -8.8063 -8.8031 -3.4636 -3.4611 -3.2939 -3.2909 -2.3114 -2.3077 -0.9385 -0.9342 -0.5252 -0.5196 -0.0392 -0.0388 0.5023 0.5027 1.1656 1.1666 1.3882 1.3884 2.6259 2.6281 2.6970 2.6979 2.8364 2.8424 3.0523 3.0538 3.3484 3.3486 4.3003 4.3027 4.3866 4.3872 4.8637 4.8640 5.4343 5.4343 11.3601 11.3603 11.7219 11.7246 12.7447 12.7514 13.3609 13.3616 13.5020 13.5022 k =-0.2222 0.1375 0.0000 ( 4282 PWs) bands (ev): -13.7266 -13.7264 -13.3187 -13.3184 -11.1217 -11.1214 -9.0431 -9.0425 -8.9859 -8.9843 -8.8035 -8.8003 -3.4535 -3.4510 -3.2322 -3.2290 -2.2939 -2.2901 -0.9574 -0.9530 -0.5578 -0.5519 -0.0048 -0.0044 0.4734 0.4738 1.1354 1.1365 1.4187 1.4188 2.6262 2.6287 2.6904 2.6914 2.7963 2.8020 3.0527 3.0535 3.3377 3.3380 4.2815 4.2840 4.3889 4.3894 4.8755 4.8758 5.4216 5.4216 11.4328 11.4330 11.7217 11.7245 12.7651 12.7717 13.3291 13.3297 13.5164 13.5168 k =-0.2361 0.1461 0.0000 ( 4280 PWs) bands (ev): -13.7131 -13.7129 -13.3189 -13.3186 -11.1532 -11.1529 -9.0417 -9.0411 -8.9890 -8.9875 -8.8012 -8.7980 -3.4425 -3.4399 -3.1679 -3.1646 -2.2769 -2.2728 -0.9772 -0.9725 -0.5902 -0.5841 0.0307 0.0310 0.4439 0.4443 1.1041 1.1052 1.4503 1.4504 2.6130 2.6154 2.6829 2.6841 2.7636 2.7685 3.0592 3.0593 3.3268 3.3271 4.2616 4.2641 4.3910 4.3915 4.8868 4.8871 5.4090 5.4090 11.5074 11.5075 11.7254 11.7283 12.7832 12.7897 13.2959 13.2964 13.5316 13.5322 k =-0.2500 0.1547 0.0000 ( 4276 PWs) bands (ev): -13.6993 -13.6990 -13.3191 -13.3188 -11.1850 -11.1846 -9.0404 -9.0398 -8.9917 -8.9902 -8.7992 -8.7961 -3.4305 -3.4279 -3.1013 -3.0978 -2.2606 -2.2562 -0.9979 -0.9930 -0.6222 -0.6157 0.0670 0.0674 0.4139 0.4144 1.0717 1.0728 1.4830 1.4830 2.5843 2.5859 2.6746 2.6758 2.7412 2.7448 3.0708 3.0712 3.3158 3.3162 4.2406 4.2432 4.3930 4.3933 4.8975 4.8976 5.3967 5.3967 11.5833 11.5834 11.7328 11.7358 12.7991 12.8055 13.2617 13.2622 13.5475 13.5482 k =-0.2639 0.1633 0.0000 ( 4276 PWs) bands (ev): -13.6852 -13.6849 -13.3193 -13.3190 -11.2168 -11.2165 -9.0392 -9.0386 -8.9940 -8.9925 -8.7977 -8.7946 -3.4176 -3.4151 -3.0326 -3.0289 -2.2451 -2.2405 -1.0196 -1.0145 -0.6533 -0.6466 0.1041 0.1045 0.3837 0.3842 1.0383 1.0395 1.5165 1.5166 2.5439 2.5446 2.6655 2.6667 2.7258 2.7281 3.0874 3.0883 3.3048 3.3052 4.2186 4.2211 4.3946 4.3949 4.9074 4.9075 5.3848 5.3848 11.6601 11.6602 11.7439 11.7468 12.8127 12.8190 13.2268 13.2272 13.5638 13.5647 k =-0.2778 0.1719 0.0000 ( 4272 PWs) bands (ev): -13.6709 -13.6706 -13.3194 -13.3192 -11.2485 -11.2481 -9.0381 -9.0376 -8.9959 -8.9945 -8.7966 -8.7936 -3.4040 -3.4015 -2.9621 -2.9582 -2.2307 -2.2260 -1.0422 -1.0370 -0.6832 -0.6763 0.1417 0.1420 0.3533 0.3538 1.0041 1.0053 1.5508 1.5509 2.4971 2.4973 2.6555 2.6568 2.7127 2.7141 3.1084 3.1097 3.2938 3.2942 4.1956 4.1981 4.3960 4.3962 4.9167 4.9168 5.3733 5.3733 11.7375 11.7375 11.7583 11.7613 12.8243 12.8304 13.1916 13.1919 13.5805 13.5815 k =-0.2917 0.1805 0.0000 ( 4266 PWs) bands (ev): -13.6565 -13.6562 -13.3196 -13.3194 -11.2797 -11.2794 -9.0371 -9.0366 -8.9974 -8.9961 -8.7959 -8.7930 -3.3896 -3.3872 -2.8900 -2.8860 -2.2177 -2.2128 -1.0660 -1.0605 -0.7116 -0.7046 0.1796 0.1799 0.3231 0.3236 0.9691 0.9703 1.5856 1.5858 2.4479 2.4480 2.6446 2.6461 2.6993 2.7001 3.1329 3.1345 3.2829 3.2833 4.1718 4.1743 4.3971 4.3972 4.9252 4.9252 5.3623 5.3623 11.7759 11.7789 11.8149 11.8149 12.8339 12.8398 13.1564 13.1566 13.5973 13.5984 k =-0.3056 0.1891 0.0000 ( 4270 PWs) bands (ev): -13.6422 -13.6419 -13.3198 -13.3195 -11.3104 -11.3100 -9.0363 -9.0358 -8.9986 -8.9973 -8.7956 -8.7927 -3.3746 -3.3723 -2.8167 -2.8125 -2.2061 -2.2011 -1.0909 -1.0853 -0.7382 -0.7311 0.2174 0.2178 0.2931 0.2936 0.9336 0.9348 1.6208 1.6211 2.3984 2.3988 2.6330 2.6345 2.6845 2.6850 3.1602 3.1619 3.2721 3.2726 4.1472 4.1498 4.3978 4.3979 4.9330 4.9330 5.3519 5.3519 11.7964 11.7993 11.8919 11.8920 12.8416 12.8473 13.1216 13.1218 13.6140 13.6153 k =-0.3194 0.1977 0.0000 ( 4272 PWs) bands (ev): -13.6280 -13.6277 -13.3200 -13.3197 -11.3401 -11.3398 -9.0355 -9.0350 -8.9995 -8.9982 -8.7955 -8.7928 -3.3592 -3.3569 -2.7424 -2.7381 -2.1961 -2.1911 -1.1171 -1.1113 -0.7628 -0.7557 0.2551 0.2552 0.2638 0.2642 0.8977 0.8990 1.6562 1.6566 2.3503 2.3508 2.6206 2.6222 2.6684 2.6686 3.1893 3.1913 3.2617 3.2622 4.1221 4.1246 4.3982 4.3982 4.9401 4.9401 5.3422 5.3422 11.8194 11.8222 11.9680 11.9681 12.8474 12.8528 13.0876 13.0878 13.6305 13.6319 k =-0.3333 0.2063 0.0000 ( 4274 PWs) bands (ev): -13.6141 -13.6139 -13.3202 -13.3199 -11.3689 -11.3685 -9.0349 -9.0344 -9.0000 -8.9989 -8.7958 -8.7931 -3.3434 -3.3413 -2.6676 -2.6631 -2.1878 -2.1828 -1.1447 -1.1387 -0.7851 -0.7780 0.2347 0.2354 0.2922 0.2925 0.8618 0.8631 1.6915 1.6920 2.3042 2.3047 2.6074 2.6090 2.6512 2.6512 3.2194 3.2214 3.2521 3.2526 4.0965 4.0990 4.3983 4.3983 4.9465 4.9466 5.3331 5.3331 11.8445 11.8472 12.0427 12.0429 12.8514 12.8566 13.0548 13.0550 13.6466 13.6481 k =-0.3472 0.2149 0.0000 ( 4266 PWs) bands (ev): -13.6006 -13.6004 -13.3203 -13.3201 -11.3963 -11.3960 -9.0343 -9.0338 -9.0003 -8.9992 -8.7963 -8.7938 -3.3275 -3.3255 -2.5925 -2.5879 -2.1813 -2.1764 -1.1736 -1.1676 -0.8050 -0.7981 0.2069 0.2075 0.3285 0.3287 0.8262 0.8275 1.7266 1.7272 2.2607 2.2612 2.5935 2.5952 2.6330 2.6331 3.2385 3.2387 3.2552 3.2566 4.0705 4.0731 4.3981 4.3981 4.9523 4.9524 5.3248 5.3248 11.8713 11.8738 12.1155 12.1157 12.8537 12.8585 13.0236 13.0238 13.6620 13.6636 k =-0.3611 0.2235 0.0000 ( 4266 PWs) bands (ev): -13.5877 -13.5875 -13.3205 -13.3202 -11.4222 -11.4219 -9.0338 -9.0334 -9.0004 -8.9994 -8.7969 -8.7946 -3.3117 -3.3098 -2.5176 -2.5129 -2.1765 -2.1717 -1.2041 -1.1980 -0.8225 -0.8157 0.1802 0.1808 0.3635 0.3638 0.7914 0.7926 1.7612 1.7618 2.2202 2.2207 2.5790 2.5808 2.6145 2.6147 3.2309 3.2312 3.2850 3.2869 4.0445 4.0469 4.3976 4.3976 4.9575 4.9575 5.3171 5.3172 11.8993 11.9016 12.1857 12.1860 12.8543 12.8589 12.9943 12.9945 13.6765 13.6783 k =-0.3750 0.2321 0.0000 ( 4258 PWs) bands (ev): -13.5755 -13.5752 -13.3206 -13.3204 -11.4465 -11.4462 -9.0334 -9.0330 -9.0003 -8.9993 -8.7977 -8.7956 -3.2962 -3.2945 -2.4434 -2.4386 -2.1733 -2.1687 -1.2361 -1.2299 -0.8374 -0.8310 0.1550 0.1556 0.3970 0.3972 0.7576 0.7588 1.7949 1.7955 2.1830 2.1835 2.5641 2.5658 2.5961 2.5963 3.2223 3.2227 3.3165 3.3186 4.0184 4.0208 4.3969 4.3970 4.9620 4.9621 5.3103 5.3103 11.9278 11.9300 12.2528 12.2531 12.8534 12.8576 12.9673 12.9676 13.6901 13.6919 k =-0.3889 0.2407 0.0000 ( 4258 PWs) bands (ev): -13.5640 -13.5638 -13.3207 -13.3205 -11.4688 -11.4685 -9.0330 -9.0327 -9.0000 -8.9991 -8.7986 -8.7967 -3.2812 -3.2797 -2.3704 -2.3656 -2.1715 -2.1673 -1.2695 -1.2634 -0.8498 -0.8439 0.1314 0.1320 0.4285 0.4287 0.7256 0.7267 1.8274 1.8281 2.1493 2.1497 2.5489 2.5506 2.5781 2.5784 3.2142 3.2146 3.3478 3.3499 3.9926 3.9950 4.3961 4.3962 4.9660 4.9661 5.3041 5.3041 11.9564 11.9583 12.3159 12.3163 12.8511 12.8550 12.9429 12.9433 13.7024 13.7043 k =-0.4028 0.2493 0.0000 ( 4258 PWs) bands (ev): -13.5536 -13.5534 -13.3208 -13.3207 -11.4890 -11.4888 -9.0327 -9.0324 -8.9996 -8.9988 -8.7996 -8.7978 -3.2671 -3.2657 -2.2993 -2.2944 -2.1710 -2.1671 -1.3042 -1.2982 -0.8600 -0.8545 0.1097 0.1103 0.4576 0.4578 0.6957 0.6967 1.8583 1.8590 2.1192 2.1196 2.5337 2.5354 2.5610 2.5613 3.2067 3.2071 3.3783 3.3803 3.9673 3.9696 4.3953 4.3953 4.9694 4.9695 5.2987 5.2987 11.9843 11.9860 12.3742 12.3747 12.8477 12.8512 12.9215 12.9219 13.7135 13.7153 k =-0.4167 0.2579 0.0000 ( 4258 PWs) bands (ev): -13.5442 -13.5440 -13.3209 -13.3208 -11.5070 -11.5067 -9.0325 -9.0322 -8.9992 -8.9985 -8.8005 -8.7989 -3.2540 -3.2528 -2.2307 -2.2259 -2.1715 -2.1680 -1.3399 -1.3341 -0.8680 -0.8631 0.0903 0.0908 0.4840 0.4841 0.6684 0.6694 1.8871 1.8878 2.0930 2.0933 2.5189 2.5205 2.5452 2.5455 3.2000 3.2004 3.4075 3.4094 3.9430 3.9451 4.3944 4.3944 4.9723 4.9724 5.2940 5.2940 12.0108 12.0123 12.4270 12.4274 12.8434 12.8465 12.9034 12.9039 13.7231 13.7247 k =-0.4306 0.2665 0.0000 ( 4270 PWs) bands (ev): -13.5360 -13.5359 -13.3210 -13.3209 -11.5224 -11.5223 -9.0323 -9.0321 -8.9987 -8.9981 -8.8014 -8.8000 -3.2424 -3.2414 -2.1726 -2.1696 -2.1659 -2.1612 -1.3760 -1.3704 -0.8741 -0.8699 0.0733 0.0738 0.5071 0.5073 0.6443 0.6452 1.9132 1.9139 2.0707 2.0710 2.5049 2.5064 2.5309 2.5312 3.1942 3.1946 3.4347 3.4365 3.9200 3.9219 4.3935 4.3936 4.9748 4.9748 5.2900 5.2900 12.0352 12.0365 12.4731 12.4736 12.8386 12.8412 12.8888 12.8893 13.7128 13.7131 k =-0.4444 0.2751 0.0000 ( 4272 PWs) bands (ev): -13.5291 -13.5290 -13.3211 -13.3210 -11.5353 -11.5352 -9.0321 -9.0320 -8.9983 -8.9977 -8.8021 -8.8010 -3.2324 -3.2316 -2.1739 -2.1715 -2.1063 -2.1019 -1.4112 -1.4061 -0.8786 -0.8751 0.0590 0.0595 0.5268 0.5269 0.6239 0.6247 1.9361 1.9367 2.0523 2.0525 2.4923 2.4936 2.5187 2.5190 3.1894 3.1897 3.4594 3.4610 3.8990 3.9008 4.3927 4.3928 4.9767 4.9768 5.2868 5.2868 12.0567 12.0577 12.5118 12.5122 12.8337 12.8359 12.8778 12.8783 13.6947 13.6949 k =-0.4583 0.2837 0.0000 ( 4276 PWs) bands (ev): -13.5237 -13.5236 -13.3211 -13.3211 -11.5455 -11.5454 -9.0320 -9.0319 -8.9978 -8.9974 -8.8027 -8.8019 -3.2243 -3.2237 -2.1753 -2.1735 -2.0539 -2.0500 -1.4440 -1.4395 -0.8816 -0.8790 0.0477 0.0480 0.5425 0.5426 0.6075 0.6081 1.9550 1.9555 2.0379 2.0381 2.4816 2.4826 2.5088 2.5090 3.1856 3.1858 3.4805 3.4818 3.8810 3.8824 4.3921 4.3921 4.9782 4.9783 5.2843 5.2843 12.0744 12.0751 12.5422 12.5426 12.8293 12.8309 12.8703 12.8707 13.6793 13.6794 k =-0.4722 0.2923 0.0000 ( 4274 PWs) bands (ev): -13.5197 -13.5197 -13.3212 -13.3211 -11.5528 -11.5527 -9.0319 -9.0318 -8.9975 -8.9972 -8.8031 -8.8026 -3.2183 -3.2179 -2.1764 -2.1752 -2.0116 -2.0087 -1.4714 -1.4681 -0.8835 -0.8817 0.0395 0.0397 0.5541 0.5541 0.5955 0.5959 1.9692 1.9695 2.0277 2.0278 2.4734 2.4741 2.5015 2.5016 3.1828 3.1830 3.4969 3.4979 3.8669 3.8679 4.3916 4.3916 4.9793 4.9793 5.2825 5.2825 12.0877 12.0882 12.5640 12.5643 12.8258 12.8269 12.8658 12.8661 13.6675 13.6676 k =-0.4861 0.3009 0.0000 ( 4284 PWs) bands (ev): -13.5173 -13.5173 -13.3212 -13.3212 -11.5572 -11.5572 -9.0319 -9.0318 -8.9973 -8.9971 -8.8033 -8.8031 -3.2146 -3.2144 -2.1771 -2.1764 -1.9833 -1.9817 -1.4899 -1.4881 -0.8844 -0.8835 0.0345 0.0346 0.5613 0.5613 0.5880 0.5883 1.9780 1.9782 2.0215 2.0216 2.4683 2.4687 2.4970 2.4971 3.1812 3.1813 3.5076 3.5081 3.8579 3.8584 4.3913 4.3913 4.9799 4.9800 5.2814 5.2814 12.0960 12.0962 12.5770 12.5772 12.8236 12.8241 12.8636 12.8637 13.6601 13.6601 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5165 -13.5165 -13.3212 -13.3212 -11.5587 -11.5587 -9.0318 -9.0318 -8.9971 -8.9971 -8.8033 -8.8033 -3.2133 -3.2133 -2.1771 -2.1771 -1.9727 -1.9727 -1.4960 -1.4960 -0.8843 -0.8843 0.0329 0.0329 0.5638 0.5638 0.5856 0.5856 1.9811 1.9811 2.0195 2.0195 2.4667 2.4667 2.4956 2.4956 3.1807 3.1807 3.5114 3.5114 3.8550 3.8550 4.3912 4.3912 4.9802 4.9802 5.2811 5.2811 12.0989 12.0989 12.5814 12.5814 12.8230 12.8230 12.8630 12.8630 13.6575 13.6575 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5165 -13.5165 -13.3212 -13.3212 -11.5587 -11.5587 -9.0318 -9.0318 -8.9971 -8.9971 -8.8033 -8.8033 -3.2133 -3.2133 -2.1771 -2.1771 -1.9727 -1.9727 -1.4960 -1.4960 -0.8843 -0.8843 0.0329 0.0329 0.5638 0.5638 0.5856 0.5856 1.9811 1.9811 2.0195 2.0195 2.4667 2.4667 2.4956 2.4956 3.1807 3.1807 3.5114 3.5114 3.8550 3.8550 4.3912 4.3912 4.9802 4.9802 5.2811 5.2811 12.0989 12.0989 12.5814 12.5814 12.8230 12.8230 12.8630 12.8630 13.6575 13.6575 k =-0.4914 0.3233-0.0000 ( 4274 PWs) bands (ev): -13.5167 -13.5166 -13.3212 -13.3212 -11.5577 -11.5577 -9.0405 -9.0392 -8.9967 -8.9964 -8.7978 -8.7961 -3.2132 -3.2131 -2.1811 -2.1809 -1.9648 -1.9642 -1.4967 -1.4966 -0.8856 -0.8853 0.0231 0.0258 0.5635 0.5639 0.5912 0.5940 1.9795 1.9799 2.0189 2.0191 2.4540 2.4654 2.4987 2.5105 3.1813 3.1818 3.5115 3.5117 3.8531 3.8535 4.3921 4.3926 4.9773 4.9779 5.2799 5.2805 12.0989 12.0994 12.5852 12.5856 12.8237 12.8237 12.8594 12.8627 13.6554 13.6554 k =-0.4829 0.3371-0.0000 ( 4270 PWs) bands (ev): -13.5170 -13.5170 -13.3214 -13.3214 -11.5548 -11.5548 -9.0626 -9.0604 -8.9951 -8.9944 -8.7817 -8.7786 -3.2128 -3.2128 -2.1912 -2.1908 -1.9423 -1.9410 -1.4988 -1.4987 -0.8891 -0.8884 -0.0020 0.0029 0.5631 0.5637 0.6100 0.6152 1.9750 1.9759 2.0175 2.0179 2.4402 2.4532 2.5170 2.5307 3.1835 3.1845 3.5118 3.5122 3.8480 3.8487 4.3954 4.3963 4.9695 4.9707 5.2771 5.2783 12.0995 12.1004 12.5968 12.5976 12.8258 12.8258 12.8525 12.8589 13.6487 13.6488 k =-0.4743 0.3510-0.0000 ( 4278 PWs) bands (ev): -13.5177 -13.5177 -13.3218 -13.3218 -11.5500 -11.5499 -9.0939 -9.0913 -8.9922 -8.9913 -8.7592 -8.7552 -3.2122 -3.2121 -2.2039 -2.2031 -1.9087 -1.9069 -1.5023 -1.5021 -0.8948 -0.8937 -0.0396 -0.0330 0.5625 0.5634 0.6391 0.6461 1.9676 1.9690 2.0154 2.0159 2.4277 2.4405 2.5396 2.5537 3.1874 3.1890 3.5124 3.5131 3.8395 3.8405 4.4009 4.4023 4.9569 4.9586 5.2725 5.2743 12.1009 12.1020 12.6154 12.6162 12.8293 12.8294 12.8435 12.8529 13.6368 13.6369 k =-0.4657 0.3648-0.0000 ( 4268 PWs) bands (ev): -13.5186 -13.5186 -13.3222 -13.3222 -11.5432 -11.5431 -9.1310 -9.1283 -8.9881 -8.9869 -8.7338 -8.7291 -3.2114 -3.2113 -2.2161 -2.2150 -1.8671 -1.8648 -1.5071 -1.5069 -0.9025 -0.9010 -0.0863 -0.0786 0.5616 0.5628 0.6751 0.6835 1.9574 1.9592 2.0128 2.0134 2.4167 2.4288 2.5650 2.5790 3.1930 3.1951 3.5134 3.5143 3.8279 3.8292 4.4088 4.4105 4.9397 4.9419 5.2662 5.2685 12.1031 12.1043 12.6392 12.6398 12.8337 12.8342 12.8353 12.8471 13.6192 13.6193 k =-0.4572 0.3787-0.0000 ( 4274 PWs) bands (ev): -13.5199 -13.5199 -13.3227 -13.3227 -11.5345 -11.5344 -9.1720 -9.1692 -8.9829 -8.9814 -8.7076 -8.7024 -3.2104 -3.2104 -2.2262 -2.2248 -1.8192 -1.8165 -1.5133 -1.5131 -0.9122 -0.9103 -0.1396 -0.1311 0.5603 0.5618 0.7156 0.7248 1.9443 1.9466 2.0099 2.0105 2.4071 2.4184 2.5927 2.6063 3.2002 3.2028 3.5148 3.5160 3.8131 3.8147 4.4188 4.4210 4.9183 4.9209 5.2581 5.2609 12.1063 12.1073 12.6649 12.6649 12.8306 12.8403 12.8403 12.8455 13.5957 13.5957 k =-0.4486 0.3925-0.0000 ( 4284 PWs) bands (ev): -13.5214 -13.5214 -13.3234 -13.3234 -11.5239 -11.5237 -9.2155 -9.2129 -8.9764 -8.9747 -8.6819 -8.6763 -3.2094 -3.2093 -2.2332 -2.2313 -1.7663 -1.7632 -1.5208 -1.5205 -0.9237 -0.9214 -0.1976 -0.1886 0.5585 0.5603 0.7583 0.7681 1.9284 1.9311 2.0069 2.0075 2.3987 2.4091 2.6224 2.6356 3.2090 3.2121 3.5167 3.5182 3.7953 3.7973 4.4310 4.4336 4.8929 4.8959 5.2482 5.2513 12.1103 12.1110 12.6864 12.6864 12.8375 12.8476 12.8477 12.8539 13.5667 13.5668 k =-0.4400 0.4064-0.0000 ( 4280 PWs) bands (ev): -13.5232 -13.5232 -13.3241 -13.3241 -11.5113 -11.5111 -9.2609 -9.2584 -8.9689 -8.9668 -8.6573 -8.6514 -3.2084 -3.2083 -2.2363 -2.2341 -1.7090 -1.7056 -1.5297 -1.5293 -0.9368 -0.9342 -0.2589 -0.2496 0.5562 0.5582 0.8020 0.8122 1.9096 1.9127 2.0042 2.0048 2.3915 2.4008 2.6539 2.6666 3.2194 3.2229 3.5192 3.5210 3.7746 3.7769 4.4453 4.4483 4.8641 4.8673 5.2365 5.2398 12.1151 12.1151 12.6981 12.6990 12.8560 12.8561 12.8618 12.8780 13.5327 13.5329 k =-0.4314 0.4202-0.0000 ( 4272 PWs) bands (ev): -13.5253 -13.5253 -13.3249 -13.3249 -11.4968 -11.4966 -9.3076 -9.3053 -8.9602 -8.9578 -8.6343 -8.6280 -3.2074 -3.2074 -2.2354 -2.2327 -1.6480 -1.6441 -1.5398 -1.5394 -0.9515 -0.9485 -0.3225 -0.3130 0.5531 0.5554 0.8457 0.8562 1.8879 1.8914 2.0020 2.0025 2.3852 2.3935 2.6868 2.6990 3.2313 3.2353 3.5226 3.5247 3.7513 3.7539 4.4617 4.4650 4.8321 4.8356 5.2229 5.2265 12.1193 12.1202 12.7007 12.7032 12.8653 12.8656 12.9033 12.9184 13.4945 13.4947 k =-0.4229 0.4341-0.0000 ( 4278 PWs) bands (ev): -13.5278 -13.5277 -13.3257 -13.3257 -11.4805 -11.4802 -9.3554 -9.3532 -8.9504 -8.9477 -8.6131 -8.6066 -3.2067 -3.2067 -2.2301 -2.2271 -1.5838 -1.5792 -1.5511 -1.5504 -0.9674 -0.9640 -0.3879 -0.3783 0.5493 0.5518 0.8888 0.8995 1.8633 1.8672 2.0006 2.0009 2.3799 2.3870 2.7209 2.7325 3.2447 3.2492 3.5268 3.5292 3.7255 3.7284 4.4799 4.4836 4.7974 4.8010 5.2075 5.2113 12.1232 12.1253 12.6997 12.7033 12.8754 12.8758 12.9572 12.9710 13.4525 13.4528 k =-0.4143 0.4479-0.0000 ( 4266 PWs) bands (ev): -13.5305 -13.5305 -13.3266 -13.3266 -11.4622 -11.4619 -9.4039 -9.4018 -8.9395 -8.9366 -8.5940 -8.5873 -3.2063 -3.2063 -2.2204 -2.2170 -1.5638 -1.5637 -1.5154 -1.5112 -0.9843 -0.9805 -0.4544 -0.4447 0.5445 0.5472 0.9309 0.9416 1.8358 1.8401 2.0002 2.0004 2.3753 2.3813 2.7557 2.7667 3.2598 3.2647 3.5321 3.5349 3.6974 3.7006 4.5000 4.5040 4.7604 4.7641 5.1904 5.1943 12.1264 12.1297 12.6997 12.7036 12.8862 12.8866 13.0191 13.0322 13.4073 13.4075 k =-0.4057 0.4617-0.0000 ( 4272 PWs) bands (ev): -13.5337 -13.5337 -13.3275 -13.3275 -11.4420 -11.4417 -9.4528 -9.4510 -8.9275 -8.9244 -8.5771 -8.5701 -3.2064 -3.2064 -2.2064 -2.2026 -1.5775 -1.5773 -1.4451 -1.4404 -1.0021 -0.9979 -0.5216 -0.5120 0.5386 0.5415 0.9716 0.9824 1.8054 1.8101 2.0009 2.0010 2.3715 2.3763 2.7907 2.8010 3.2764 3.2816 3.5388 3.5418 3.6673 3.6709 4.5218 4.5261 4.7213 4.7251 5.1717 5.1756 12.1283 12.1331 12.7032 12.7070 12.8974 12.8980 13.0868 13.0993 13.3593 13.3594 k =-0.3972 0.4756-0.0000 ( 4268 PWs) bands (ev): -13.5372 -13.5372 -13.3284 -13.3284 -11.4199 -11.4196 -9.5021 -9.5004 -8.9146 -8.9112 -8.5624 -8.5552 -3.2071 -3.2071 -2.1879 -2.1838 -1.5925 -1.5923 -1.3721 -1.3670 -1.0204 -1.0158 -0.5893 -0.5797 0.5315 0.5346 1.0108 1.0216 1.7721 1.7772 2.0029 2.0031 2.3683 2.3720 2.8256 2.8351 3.2948 3.3001 3.5470 3.5503 3.6355 3.6393 4.5453 4.5499 4.6806 4.6845 5.1514 5.1554 12.1286 12.1349 12.7119 12.7152 12.9089 12.9096 13.1587 13.1707 13.3087 13.3087 k =-0.3886 0.4894-0.0000 ( 4278 PWs) bands (ev): -13.5411 -13.5410 -13.3292 -13.3292 -11.3960 -11.3957 -9.5515 -9.5499 -8.9007 -8.8970 -8.5499 -8.5425 -3.2086 -3.2086 -2.1651 -2.1606 -1.6086 -1.6084 -1.2968 -1.2914 -1.0389 -1.0339 -0.6571 -0.6476 0.5231 0.5264 1.0484 1.0591 1.7360 1.7414 2.0064 2.0068 2.3659 2.3684 2.8597 2.8683 3.3150 3.3203 3.5569 3.5604 3.6022 3.6064 4.5702 4.5751 4.6386 4.6425 5.1297 5.1336 12.1270 12.1349 12.7266 12.7291 12.9205 12.9214 13.2330 13.2449 13.2561 13.2565 k =-0.3800 0.5033-0.0000 ( 4280 PWs) bands (ev): -13.5454 -13.5453 -13.3301 -13.3301 -11.3703 -11.3699 -9.6009 -9.5995 -8.8859 -8.8819 -8.5396 -8.5321 -3.2111 -3.2110 -2.1380 -2.1333 -1.6259 -1.6257 -1.2195 -1.2137 -1.0574 -1.0521 -0.7249 -0.7155 0.5134 0.5168 1.0844 1.0950 1.6970 1.7028 2.0116 2.0122 2.3641 2.3655 2.8924 2.9000 3.3372 3.3423 3.5659 3.5696 3.5705 3.5751 4.5955 4.5956 4.6002 4.6016 5.1066 5.1105 12.1237 12.1330 12.7476 12.7494 12.9319 12.9331 13.2004 13.2005 13.3114 13.3224 k =-0.3715 0.5171-0.0000 ( 4288 PWs) bands (ev): -13.5500 -13.5500 -13.3309 -13.3308 -11.3427 -11.3423 -9.6501 -9.6488 -8.8702 -8.8659 -8.5316 -8.5239 -3.2146 -3.2146 -2.1070 -2.1019 -1.6444 -1.6442 -1.1404 -1.1342 -1.0755 -1.0699 -0.7925 -0.7831 0.5022 0.5057 1.1188 1.1293 1.6553 1.6613 2.0185 2.0193 2.3629 2.3633 2.9231 2.9296 3.3615 3.3662 3.5321 3.5367 3.5831 3.5871 4.5515 4.5551 4.6242 4.6294 5.0824 5.0862 12.1187 12.1293 12.7750 12.7760 12.9429 12.9445 13.1433 13.1438 13.3900 13.4009 k =-0.3629 0.5310-0.0000 ( 4286 PWs) bands (ev): -13.5551 -13.5550 -13.3316 -13.3316 -11.3132 -11.3129 -9.6991 -9.6979 -8.8537 -8.8492 -8.5257 -8.5179 -3.2195 -3.2194 -2.0720 -2.0667 -1.6641 -1.6639 -1.0935 -1.0870 -1.0591 -1.0531 -0.8596 -0.8504 0.4896 0.4932 1.1517 1.1621 1.6109 1.6171 2.0273 2.0283 2.3618 2.3625 2.9512 2.9565 3.3882 3.3922 3.4961 3.5011 3.5995 3.6034 4.5068 4.5105 4.6529 4.6584 5.0571 5.0609 12.1126 12.1243 12.8086 12.8089 12.9532 12.9553 13.0846 13.0855 13.4695 13.4801 k =-0.3543 0.5448-0.0000 ( 4285 PWs) bands (ev): -13.5605 -13.5605 -13.3322 -13.3322 -11.2820 -11.2816 -9.7476 -9.7466 -8.8364 -8.8317 -8.5220 -8.5141 -3.2258 -3.2257 -2.0333 -2.0278 -1.6850 -1.6848 -1.1098 -1.1032 -0.9776 -0.9709 -0.9257 -0.9168 0.4755 0.4792 1.1832 1.1934 1.5638 1.5703 2.0380 2.0393 2.3611 2.3628 2.9764 2.9804 3.4171 3.4203 3.4596 3.4650 3.6185 3.6222 4.4618 4.4653 4.6826 4.6883 5.0309 5.0346 12.1056 12.1182 12.8475 12.8478 12.9618 12.9653 13.0247 13.0267 13.5490 13.5594 k =-0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.5664 -13.5663 -13.3327 -13.3327 -11.2490 -11.2486 -9.7957 -9.7948 -8.8185 -8.8135 -8.5202 -8.5122 -3.2337 -3.2336 -1.9913 -1.9855 -1.7073 -1.7072 -1.1249 -1.1179 -0.9925 -0.9833 -0.8934 -0.8868 0.4600 0.4637 1.2134 1.2236 1.5141 1.5208 2.0506 2.0521 2.3611 2.3637 2.9983 3.0009 3.4230 3.4282 3.4489 3.4504 3.6400 3.6434 4.4163 4.4198 4.7132 4.7190 5.0040 5.0075 12.0983 12.1115 12.8915 12.8922 12.9533 12.9582 12.9797 12.9830 13.6281 13.6383 k =-0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.5664 -13.5663 -13.3327 -13.3327 -11.2490 -11.2486 -9.7957 -9.7948 -8.8185 -8.8135 -8.5202 -8.5122 -3.2337 -3.2336 -1.9913 -1.9855 -1.7073 -1.7072 -1.1249 -1.1179 -0.9925 -0.9833 -0.8934 -0.8868 0.4600 0.4637 1.2134 1.2236 1.5141 1.5208 2.0506 2.0521 2.3611 2.3637 2.9983 3.0009 3.4230 3.4282 3.4489 3.4504 3.6400 3.6434 4.4163 4.4198 4.7132 4.7190 5.0040 5.0075 12.0983 12.1115 12.8915 12.8922 12.9533 12.9582 12.9797 12.9830 13.6281 13.6383 k =-0.3458 0.5587 0.0163 ( 4287 PWs) bands (ev): -13.5662 -13.5662 -13.3328 -13.3328 -11.2480 -11.2476 -9.7951 -9.7943 -8.8207 -8.8157 -8.5211 -8.5132 -3.2318 -3.2317 -1.9947 -1.9890 -1.7077 -1.7076 -1.1228 -1.1158 -0.9864 -0.9772 -0.8959 -0.8893 0.4606 0.4643 1.2138 1.2239 1.5129 1.5196 2.0499 2.0514 2.3620 2.3647 2.9996 3.0022 3.4216 3.4268 3.4486 3.4501 3.6409 3.6443 4.4158 4.4192 4.7129 4.7187 5.0030 5.0065 12.0944 12.1075 12.8950 12.8955 12.9381 12.9412 12.9895 12.9911 13.6320 13.6421 k =-0.3458 0.5587 0.0326 ( 4290 PWs) bands (ev): -13.5657 -13.5657 -13.3331 -13.3331 -11.2451 -11.2448 -9.7935 -9.7926 -8.8274 -8.8224 -8.5239 -8.5159 -3.2262 -3.2261 -2.0047 -1.9990 -1.7090 -1.7089 -1.1164 -1.1095 -0.9686 -0.9593 -0.9033 -0.8968 0.4625 0.4662 1.2149 1.2249 1.5092 1.5158 2.0477 2.0492 2.3648 2.3675 3.0034 3.0060 3.4174 3.4225 3.4478 3.4492 3.6436 3.6468 4.4143 4.4177 4.7121 4.7179 4.9998 5.0034 12.0830 12.0960 12.9028 12.9048 12.9105 12.9110 12.9987 12.9997 13.6439 13.6536 k =-0.3458 0.5587 0.0489 ( 4286 PWs) bands (ev): -13.5649 -13.5648 -13.3336 -13.3336 -11.2403 -11.2400 -9.7907 -9.7898 -8.8384 -8.8335 -8.5284 -8.5205 -3.2168 -3.2168 -2.0205 -2.0148 -1.7112 -1.7112 -1.1058 -1.0989 -0.9402 -0.9310 -0.9151 -0.9087 0.4655 0.4693 1.2166 1.2264 1.5030 1.5096 2.0442 2.0456 2.3694 2.3721 3.0098 3.0124 3.4103 3.4154 3.4465 3.4478 3.6479 3.6508 4.4118 4.4152 4.7108 4.7166 4.9947 4.9982 12.0653 12.0782 12.8697 12.8729 12.9210 12.9212 13.0008 13.0018 13.6634 13.6725 k =-0.3458 0.5587 0.0652 ( 4295 PWs) bands (ev): -13.5637 -13.5637 -13.3343 -13.3343 -11.2336 -11.2332 -9.7868 -9.7859 -8.8538 -8.8489 -8.5348 -8.5269 -3.2039 -3.2039 -2.0410 -2.0354 -1.7144 -1.7143 -1.0910 -1.0841 -0.9340 -0.9275 -0.8996 -0.8906 0.4699 0.4737 1.2189 1.2284 1.4945 1.5009 2.0395 2.0407 2.3757 2.3785 3.0185 3.0211 3.4003 3.4053 3.4449 3.4461 3.6537 3.6562 4.4084 4.4117 4.7089 4.7146 4.9875 4.9910 12.0430 12.0558 12.8263 12.8296 12.9396 12.9407 12.9955 12.9967 13.6902 13.6985 k =-0.3458 0.5587 0.0815 ( 4296 PWs) bands (ev): -13.5623 -13.5622 -13.3351 -13.3351 -11.2250 -11.2246 -9.7817 -9.7809 -8.8733 -8.8685 -8.5429 -8.5351 -3.1876 -3.1875 -2.0649 -2.0593 -1.7184 -1.7183 -1.0718 -1.0650 -0.9551 -0.9490 -0.8527 -0.8435 0.4755 0.4794 1.2215 1.2306 1.4835 1.4899 2.0336 2.0347 2.3838 2.3866 3.0292 3.0318 3.3873 3.3922 3.4434 3.4444 3.6607 3.6628 4.4041 4.4073 4.7063 4.7120 4.9784 4.9819 12.0178 12.0304 12.7773 12.7808 12.9604 12.9626 12.9837 12.9851 13.7236 13.7308 k =-0.3458 0.5587 0.0978 ( 4294 PWs) bands (ev): -13.5604 -13.5604 -13.3362 -13.3362 -11.2145 -11.2140 -9.7756 -9.7748 -8.8968 -8.8921 -8.5528 -8.5451 -3.1681 -3.1680 -2.0911 -2.0856 -1.7234 -1.7233 -1.0484 -1.0416 -0.9808 -0.9749 -0.7981 -0.7889 0.4823 0.4863 1.2242 1.2330 1.4704 1.4765 2.0269 2.0278 2.3935 2.3963 3.0418 3.0445 3.3711 3.3758 3.4420 3.4428 3.6687 3.6704 4.3991 4.4022 4.7031 4.7088 4.9674 4.9708 11.9914 12.0039 12.7232 12.7270 12.9665 12.9678 12.9824 12.9855 13.7545 13.7554 k =-0.3458 0.5587 0.1141 ( 4291 PWs) bands (ev): -13.5583 -13.5583 -13.3374 -13.3374 -11.2020 -11.2016 -9.7683 -9.7676 -8.9242 -8.9195 -8.5643 -8.5568 -3.1457 -3.1454 -2.1184 -2.1131 -1.7294 -1.7293 -1.0214 -1.0140 -1.0097 -1.0046 -0.7375 -0.7282 0.4905 0.4946 1.2269 1.2352 1.4550 1.4609 2.0196 2.0203 2.4046 2.4076 3.0559 3.0586 3.3516 3.3560 3.4412 3.4417 3.6775 3.6787 4.3933 4.3963 4.6992 4.7048 4.9545 4.9579 11.9652 11.9776 12.6646 12.6687 12.9457 12.9471 13.0038 13.0082 13.7547 13.7557 k =-0.3458 0.5587 0.1304 ( 4291 PWs) bands (ev): -13.5559 -13.5558 -13.3389 -13.3388 -11.1877 -11.1873 -9.7600 -9.7593 -8.9553 -8.9507 -8.5776 -8.5701 -3.1205 -3.1201 -2.1461 -2.1409 -1.7363 -1.7363 -1.0439 -1.0382 -0.9882 -0.9819 -0.6717 -0.6624 0.5000 0.5042 1.2293 1.2371 1.4375 1.4432 2.0119 2.0124 2.4171 2.4201 3.0712 3.0739 3.3287 3.3328 3.4411 3.4414 3.6869 3.6875 4.3871 4.3900 4.6945 4.7000 4.9399 4.9432 11.9403 11.9528 12.6020 12.6063 12.9226 12.9241 13.0246 13.0300 13.7545 13.7556 k =-0.3458 0.5587 0.1467 ( 4291 PWs) bands (ev): -13.5532 -13.5531 -13.3405 -13.3405 -11.1715 -11.1711 -9.7506 -9.7499 -8.9898 -8.9853 -8.5924 -8.5851 -3.0928 -3.0923 -2.1735 -2.1683 -1.7443 -1.7443 -1.0802 -1.0748 -0.9519 -0.9456 -0.6018 -0.5926 0.5108 0.5151 1.2312 1.2386 1.4180 1.4235 2.0041 2.0044 2.4307 2.4338 3.0871 3.0899 3.3021 3.3058 3.4420 3.4421 3.6966 3.6967 4.3804 4.3832 4.6889 4.6944 4.9237 4.9269 11.9179 11.9304 12.5363 12.5409 12.8987 12.9002 13.0442 13.0506 13.7532 13.7544 k =-0.3458 0.5587 0.1629 ( 4299 PWs) bands (ev): -13.5502 -13.5501 -13.3423 -13.3423 -11.1535 -11.1530 -9.7400 -9.7394 -9.0275 -9.0231 -8.6088 -8.6016 -3.0629 -3.0624 -2.1998 -2.1948 -1.7534 -1.7533 -1.1193 -1.1142 -0.9112 -0.9051 -0.5287 -0.5194 0.5230 0.5275 1.2326 1.2393 1.3966 1.4019 1.9966 1.9966 2.4452 2.4483 3.1034 3.1062 3.2717 3.2750 3.4442 3.4442 3.7061 3.7066 4.3735 4.3761 4.6824 4.6878 4.9060 4.9091 11.8987 11.9112 12.4684 12.4732 12.8749 12.8765 13.0623 13.0697 13.7500 13.7512 k =-0.3458 0.5587 0.1792 ( 4299 PWs) bands (ev): -13.5469 -13.5468 -13.3443 -13.3443 -11.1335 -11.1330 -9.7284 -9.7279 -9.0681 -9.0638 -8.6267 -8.6197 -3.0311 -3.0305 -2.2247 -2.2199 -1.7634 -1.7634 -1.1608 -1.1560 -0.8663 -0.8604 -0.4529 -0.4436 0.5367 0.5413 1.2331 1.2393 1.3735 1.3785 1.9893 1.9896 2.4604 2.4636 3.1195 3.1224 3.2373 3.2401 3.4477 3.4480 3.7157 3.7167 4.3664 4.3690 4.6749 4.6801 4.8870 4.8899 11.8832 11.8958 12.3994 12.4045 12.8521 12.8537 13.0788 13.0871 13.7441 13.7454 k =-0.3458 0.5587 0.1955 ( 4303 PWs) bands (ev): -13.5433 -13.5433 -13.3465 -13.3465 -11.1118 -11.1112 -9.7157 -9.7153 -9.1115 -9.1073 -8.6460 -8.6392 -2.9977 -2.9970 -2.2479 -2.2431 -1.7745 -1.7745 -1.2044 -1.1999 -0.8173 -0.8116 -0.3751 -0.3658 0.5519 0.5567 1.2326 1.2383 1.3487 1.3534 1.9830 1.9835 2.4760 2.4793 3.1349 3.1378 3.1987 3.2011 3.4530 3.4535 3.7252 3.7268 4.3595 4.3619 4.6663 4.6714 4.8668 4.8695 11.8719 11.8846 12.3305 12.3358 12.8307 12.8322 13.0936 13.1026 13.7349 13.7364 k =-0.3458 0.5587 0.2118 ( 4302 PWs) bands (ev): -13.5395 -13.5395 -13.3490 -13.3489 -11.0882 -11.0876 -9.7020 -9.7016 -9.1574 -9.1533 -8.6667 -8.6600 -2.9629 -2.9621 -2.2690 -2.2644 -1.7867 -1.7867 -1.2498 -1.2454 -0.7643 -0.7588 -0.2959 -0.2866 0.5686 0.5737 1.2312 1.2362 1.3224 1.3268 1.9779 1.9787 2.4918 2.4951 3.1493 3.1515 3.1559 3.1584 3.4602 3.4608 3.7347 3.7369 4.3527 4.3551 4.6565 4.6616 4.8455 4.8481 11.8653 11.8781 12.2627 12.2682 12.8109 12.8124 13.1063 13.1162 13.7220 13.7237 k =-0.3458 0.5587 0.2281 ( 4301 PWs) bands (ev): -13.5355 -13.5354 -13.3515 -13.3515 -11.0628 -11.0622 -9.6872 -9.6869 -9.2055 -9.2016 -8.6887 -8.6822 -2.9270 -2.9262 -2.2878 -2.2833 -1.8000 -1.7999 -1.2965 -1.2924 -0.7074 -0.7022 -0.2159 -0.2067 0.5870 0.5923 1.2285 1.2330 1.2947 1.2988 1.9743 1.9755 2.5074 2.5108 3.1085 3.1095 3.1624 3.1655 3.4692 3.4700 3.7443 3.7471 4.3464 4.3487 4.6455 4.6504 4.8233 4.8258 11.8633 11.8762 12.1970 12.2027 12.7927 12.7942 13.1169 13.1274 13.7047 13.7067 k =-0.3458 0.5587 0.2444 ( 4301 PWs) bands (ev): -13.5312 -13.5311 -13.3543 -13.3543 -11.0356 -11.0349 -9.6713 -9.6711 -9.2556 -9.2518 -8.7118 -8.7056 -2.8903 -2.8894 -2.3041 -2.2998 -1.8143 -1.8143 -1.3444 -1.3405 -0.6469 -0.6420 -0.1356 -0.1264 0.6072 0.6127 1.2247 1.2286 1.2657 1.2695 1.9727 1.9742 2.5226 2.5260 3.0567 3.0571 3.1739 3.1770 3.4796 3.4806 3.7541 3.7574 4.3406 4.3428 4.6332 4.6380 4.8005 4.8028 11.8663 11.8793 12.1343 12.1403 12.7762 12.7776 13.1250 13.1361 13.6826 13.6849 k =-0.3458 0.5587 0.2607 ( 4301 PWs) bands (ev): -13.5267 -13.5267 -13.3573 -13.3573 -11.0066 -11.0059 -9.6544 -9.6543 -9.3075 -9.3038 -8.7361 -8.7301 -2.8529 -2.8519 -2.3179 -2.3138 -1.8297 -1.8296 -1.3930 -1.3894 -0.5830 -0.5785 -0.0555 -0.0463 0.6292 0.6350 1.2195 1.2229 1.2356 1.2392 1.9732 1.9751 2.5371 2.5405 3.0001 3.0003 3.1838 3.1869 3.4911 3.4923 3.7643 3.7682 4.3356 4.3377 4.6196 4.6243 4.7771 4.7792 11.8743 11.8873 12.0756 12.0818 12.7612 12.7625 13.1302 13.1419 13.6552 13.6580 k =-0.3458 0.5587 0.2770 ( 4295 PWs) bands (ev): -13.5220 -13.5220 -13.3605 -13.3605 -10.9759 -10.9752 -9.6366 -9.6365 -9.3609 -9.3573 -8.7615 -8.7556 -2.8150 -2.8140 -2.3290 -2.3250 -1.8461 -1.8460 -1.4422 -1.4387 -0.5160 -0.5119 0.0239 0.0330 0.6532 0.6593 1.2044 1.2072 1.2135 1.2159 1.9764 1.9785 2.5505 2.5540 2.9385 2.9395 3.1923 3.1954 3.5029 3.5042 3.7754 3.7798 4.3313 4.3334 4.6046 4.6092 4.7534 4.7552 11.8871 11.9002 12.0216 12.0280 12.7471 12.7483 13.1321 13.1442 13.6223 13.6256 k =-0.3458 0.5587 0.2933 ( 4297 PWs) bands (ev): -13.5172 -13.5171 -13.3638 -13.3638 -10.9435 -10.9427 -9.6178 -9.6177 -9.4156 -9.4122 -8.7878 -8.7821 -2.7769 -2.7759 -2.3374 -2.3336 -1.8635 -1.8635 -1.4916 -1.4884 -0.4462 -0.4426 0.1021 0.1112 0.6793 0.6858 1.1723 1.1752 1.2055 1.2076 1.9824 1.9848 2.5626 2.5661 2.8725 2.8741 3.1997 3.2027 3.5141 3.5154 3.7877 3.7926 4.3280 4.3300 4.5882 4.5927 4.7295 4.7311 11.9048 11.9179 11.9730 11.9796 12.7335 12.7345 13.1302 13.1427 13.5836 13.5876 k =-0.3458 0.5587 0.3096 ( 4289 PWs) bands (ev): -13.5122 -13.5121 -13.3674 -13.3674 -10.9094 -10.9085 -9.5980 -9.5978 -9.4714 -9.4682 -8.8149 -8.8095 -2.7387 -2.7376 -2.3430 -2.3393 -1.8820 -1.8820 -1.5412 -1.5380 -0.3742 -0.3710 0.1787 0.1876 0.7078 0.7146 1.1396 1.1421 1.1964 1.1980 1.9914 1.9941 2.5730 2.5766 2.8021 2.8044 3.2062 3.2091 3.5237 3.5250 3.8020 3.8071 4.3257 4.3277 4.5704 4.5748 4.7054 4.7068 11.9269 11.9305 11.9365 11.9409 12.7195 12.7204 13.1239 13.1368 13.5398 13.5443 k =-0.3458 0.5587 0.3259 ( 4293 PWs) bands (ev): -13.5070 -13.5069 -13.3711 -13.3711 -10.8736 -10.8727 -9.5773 -9.5770 -9.5282 -9.5250 -8.8428 -8.8376 -2.7005 -2.6994 -2.3458 -2.3423 -1.9016 -1.9015 -1.5905 -1.5875 -0.3002 -0.2976 0.2532 0.2619 0.7387 0.7459 1.1062 1.1085 1.1860 1.1870 2.0038 2.0067 2.5814 2.5850 2.7276 2.7306 3.2122 3.2150 3.5308 3.5319 3.8186 3.8239 4.3245 4.3264 4.5511 4.5554 4.6815 4.6827 11.8941 11.9011 11.9540 11.9672 12.7043 12.7048 13.1130 13.1260 13.4921 13.4972 k =-0.3458 0.5587 0.3422 ( 4293 PWs) bands (ev): -13.5017 -13.5016 -13.3750 -13.3750 -10.8361 -10.8352 -9.5857 -9.5827 -9.5557 -9.5552 -8.8715 -8.8665 -2.6625 -2.6614 -2.3458 -2.3425 -1.9221 -1.9220 -1.6394 -1.6366 -0.2250 -0.2229 0.3251 0.3337 0.7722 0.7797 1.0725 1.0746 1.1743 1.1748 2.0195 2.0228 2.5875 2.5911 2.6492 2.6529 3.2181 3.2207 3.5346 3.5355 3.8379 3.8432 4.3244 4.3263 4.5306 4.5348 4.6578 4.6587 11.8648 11.8719 11.9851 11.9983 12.6864 12.6866 13.0970 13.1101 13.4427 13.4481 k =-0.3458 0.5587 0.3585 ( 4292 PWs) bands (ev): -13.4963 -13.4962 -13.3791 -13.3791 -10.7971 -10.7961 -9.6436 -9.6408 -9.5332 -9.5326 -8.9007 -8.8959 -2.6246 -2.6236 -2.3431 -2.3398 -1.9436 -1.9435 -1.6878 -1.6852 -0.1490 -0.1475 0.3941 0.4025 0.8080 0.8158 1.0392 1.0412 1.1613 1.1613 2.0388 2.0423 2.5668 2.5715 2.5911 2.5951 3.2242 3.2267 3.5348 3.5353 3.8600 3.8652 4.3256 4.3274 4.5086 4.5127 4.6343 4.6351 11.8427 11.8500 12.0202 12.0334 12.6641 12.6645 13.0758 13.0889 13.3946 13.4000 k =-0.3458 0.5587 0.3748 ( 4292 PWs) bands (ev): -13.4907 -13.4907 -13.3834 -13.3833 -10.7565 -10.7555 -9.7020 -9.6992 -9.5098 -9.5091 -8.9304 -8.9258 -2.5871 -2.5861 -2.3375 -2.3344 -1.9661 -1.9660 -1.7355 -1.7329 -0.0729 -0.0720 0.4599 0.4680 0.8450 0.8526 1.0077 1.0100 1.1466 1.1470 2.0616 2.0652 2.4816 2.4868 2.5916 2.5956 3.2309 3.2331 3.5311 3.5313 3.8846 3.8897 4.3279 4.3298 4.4854 4.4894 4.6113 4.6118 11.8280 11.8355 12.0591 12.0722 12.6358 12.6369 13.0493 13.0624 13.3508 13.3560 k =-0.3458 0.5587 0.3911 ( 4297 PWs) bands (ev): -13.4851 -13.4851 -13.3878 -13.3877 -10.7144 -10.7133 -9.7606 -9.7579 -9.4856 -9.4848 -8.9605 -8.9562 -2.5500 -2.5490 -2.3293 -2.3263 -1.9896 -1.9894 -1.7822 -1.7797 0.0026 0.0029 0.5222 0.5300 0.8775 0.8835 0.9842 0.9883 1.1306 1.1314 2.0878 2.0915 2.3933 2.3992 2.5890 2.5930 3.2384 3.2404 3.5237 3.5239 3.9116 3.9165 4.3315 4.3333 4.4610 4.4649 4.5888 4.5891 11.8209 11.8285 12.1013 12.1144 12.6004 12.6024 13.0178 13.0308 13.3140 13.3188 k =-0.3458 0.5587 0.4074 ( 4298 PWs) bands (ev): -13.4795 -13.4794 -13.3923 -13.3923 -10.6708 -10.6696 -9.8192 -9.8166 -9.4606 -9.4596 -8.9910 -8.9869 -2.5133 -2.5123 -2.3183 -2.3154 -2.0140 -2.0138 -1.8279 -1.8255 0.0765 0.0768 0.5808 0.5884 0.8856 0.8876 0.9889 0.9971 1.1133 1.1146 2.1171 2.1209 2.3025 2.3091 2.5830 2.5870 3.2471 3.2487 3.5127 3.5132 3.9405 3.9452 4.3364 4.3381 4.4354 4.4392 4.5668 4.5669 11.8215 11.8292 12.1467 12.1597 12.5575 12.5603 12.9815 12.9944 13.2864 13.2905 k =-0.3458 0.5587 0.4237 ( 4302 PWs) bands (ev): -13.4737 -13.4737 -13.3971 -13.3970 -10.6257 -10.6245 -9.8777 -9.8752 -9.4349 -9.4337 -9.0217 -9.0178 -2.4771 -2.4761 -2.3046 -2.3018 -2.0393 -2.0390 -1.8724 -1.8700 0.1482 0.1491 0.6357 0.6429 0.8631 0.8633 1.0284 1.0386 1.0948 1.0965 2.1491 2.1531 2.2097 2.2169 2.5734 2.5775 3.2570 3.2583 3.4989 3.4998 3.9708 3.9753 4.3424 4.3441 4.4087 4.4125 4.5455 4.5455 11.8296 11.8375 12.1948 12.2078 12.5072 12.5110 12.9409 12.9536 13.2686 13.2720 k =-0.3458 0.5587 0.4400 ( 4303 PWs) bands (ev): -13.4680 -13.4679 -13.4019 -13.4019 -10.5793 -10.5780 -9.9359 -9.9336 -9.4084 -9.4071 -9.0526 -9.0489 -2.4415 -2.4405 -2.2884 -2.2857 -2.0656 -2.0652 -1.9155 -1.9132 0.2174 0.2188 0.6868 0.6937 0.8287 0.8293 1.0748 1.0771 1.0838 1.0946 2.1152 2.1230 2.1836 2.1877 2.5600 2.5642 3.2683 3.2693 3.4828 3.4839 4.0022 4.0065 4.3497 4.3513 4.3811 4.3847 4.5247 4.5250 11.8453 11.8532 12.2453 12.2582 12.4508 12.4554 12.8964 12.9090 13.2604 13.2631 k =-0.3458 0.5587 0.4563 ( 4303 PWs) bands (ev): -13.4622 -13.4622 -13.4070 -13.4069 -10.5315 -10.5301 -9.9939 -9.9916 -9.3812 -9.3797 -9.0835 -9.0801 -2.4064 -2.4055 -2.2695 -2.2670 -2.0926 -2.0922 -1.9572 -1.9549 0.2837 0.2856 0.7343 0.7407 0.7904 0.7913 1.0538 1.0563 1.1473 1.1585 2.0198 2.0282 2.2199 2.2240 2.5429 2.5471 3.2811 3.2818 3.4649 3.4661 4.0344 4.0385 4.3520 4.3557 4.3586 4.3602 4.5047 4.5052 11.8683 11.8762 12.2977 12.3107 12.3902 12.3954 12.8486 12.8611 13.2610 13.2631 k =-0.3458 0.5587 0.4725 ( 4299 PWs) bands (ev): -13.4565 -13.4564 -13.4121 -13.4120 -10.4824 -10.4809 -10.0513 -10.0492 -9.3534 -9.3517 -9.1145 -9.1113 -2.3719 -2.3710 -2.2483 -2.2457 -2.1206 -2.1201 -1.9972 -1.9950 0.3470 0.3491 0.7496 0.7510 0.7784 0.7846 1.0312 1.0341 1.2175 1.2288 1.9238 1.9328 2.2573 2.2615 2.5220 2.5263 3.2955 3.2958 3.4457 3.4469 4.0670 4.0710 4.3228 4.3265 4.3680 4.3696 4.4856 4.4862 11.8984 11.9063 12.3259 12.3327 12.3529 12.3648 12.7980 12.8104 13.2691 13.2707 k =-0.3458 0.5587 0.4888 ( 4297 PWs) bands (ev): -13.4507 -13.4507 -13.4173 -13.4173 -10.4321 -10.4306 -10.1082 -10.1062 -9.3250 -9.3231 -9.1454 -9.1424 -2.3380 -2.3372 -2.2246 -2.2221 -2.1493 -2.1488 -2.0356 -2.0334 0.4069 0.4092 0.7072 0.7089 0.8190 0.8247 1.0070 1.0103 1.2932 1.3047 1.8280 1.8375 2.2953 2.2995 2.4976 2.5019 3.3112 3.3112 3.4256 3.4269 4.0999 4.1038 4.2925 4.2962 4.3789 4.3804 4.4673 4.4681 11.9351 11.9430 12.2624 12.2691 12.4078 12.4202 12.7452 12.7575 13.2835 13.2846 k =-0.3458 0.5587 0.5051 ( 4296 PWs) bands (ev): -13.4450 -13.4449 -13.4227 -13.4226 -10.3806 -10.3790 -10.1644 -10.1625 -9.2960 -9.2940 -9.1761 -9.1733 -2.3048 -2.3041 -2.1988 -2.1963 -2.1787 -2.1780 -2.0721 -2.0700 0.4636 0.4661 0.6630 0.6649 0.8566 0.8619 0.9811 0.9848 1.3740 1.3853 1.7329 1.7429 2.3331 2.3373 2.4698 2.4741 3.3280 3.3284 3.4053 3.4065 4.1328 4.1366 4.2616 4.2653 4.3910 4.3924 4.4500 4.4509 11.9780 11.9859 12.1992 12.2062 12.4642 12.4766 12.6906 12.7029 13.3031 13.3039 k =-0.3458 0.5587 0.5214 ( 4298 PWs) bands (ev): -13.4393 -13.4393 -13.4282 -13.4281 -10.3280 -10.3263 -10.2198 -10.2180 -9.2666 -9.2644 -9.2066 -9.2040 -2.2723 -2.2716 -2.2094 -2.2090 -2.1698 -2.1676 -2.1068 -2.1046 0.5174 0.5198 0.6168 0.6189 0.8913 0.8962 0.9533 0.9575 1.4590 1.4702 1.6392 1.6497 2.3701 2.3743 2.4390 2.4433 3.3461 3.3467 3.3850 3.3860 4.1655 4.1693 4.2300 4.2337 4.4041 4.4054 4.4337 4.4347 12.0266 12.0343 12.1381 12.1454 12.5211 12.5334 12.6347 12.6470 13.3270 13.3275 k =-0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4337 -13.4337 -13.4336 -13.4336 -10.2744 -10.2744 -10.2726 -10.2726 -9.2368 -9.2368 -9.2344 -9.2344 -2.2404 -2.2404 -2.2399 -2.2399 -2.1394 -2.1394 -2.1372 -2.1372 0.5683 0.5683 0.5706 0.5706 0.9235 0.9235 0.9280 0.9280 1.5477 1.5477 1.5585 1.5585 2.4056 2.4056 2.4099 2.4099 3.3651 3.3651 3.3660 3.3660 4.1980 4.1980 4.2017 4.2017 4.4184 4.4184 4.4196 4.4196 12.0802 12.0802 12.0878 12.0878 12.5781 12.5781 12.5904 12.5904 13.3545 13.3545 k =-0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4337 -13.4337 -13.4336 -13.4336 -10.2744 -10.2744 -10.2726 -10.2726 -9.2368 -9.2368 -9.2344 -9.2344 -2.2404 -2.2404 -2.2399 -2.2399 -2.1394 -2.1394 -2.1372 -2.1372 0.5683 0.5683 0.5706 0.5706 0.9235 0.9235 0.9280 0.9280 1.5477 1.5477 1.5585 1.5585 2.4056 2.4056 2.4099 2.4099 3.3651 3.3651 3.3660 3.3660 4.1980 4.1980 4.2017 4.2017 4.4184 4.4184 4.4196 4.4196 12.0802 12.0802 12.0878 12.0878 12.5781 12.5781 12.5904 12.5904 13.3545 13.3547 k =-0.3543 0.5448 0.5377 ( 4298 PWs) bands (ev): -13.4309 -13.4309 -13.4309 -13.4309 -10.3034 -10.3034 -10.3017 -10.3017 -9.2038 -9.2038 -9.2015 -9.2015 -2.2141 -2.2141 -2.2115 -2.2115 -2.1994 -2.1994 -2.1984 -2.1984 0.6069 0.6069 0.6096 0.6096 0.9310 0.9310 0.9353 0.9353 1.5272 1.5272 1.5381 1.5381 2.4179 2.4179 2.4220 2.4220 3.3630 3.3630 3.3637 3.3637 4.1682 4.1682 4.1720 4.1720 4.4499 4.4499 4.4511 4.4511 12.0296 12.0296 12.0368 12.0368 12.5860 12.5860 12.5977 12.5977 13.3849 13.3849 k =-0.3629 0.5310 0.5377 ( 4302 PWs) bands (ev): -13.4283 -13.4283 -13.4282 -13.4282 -10.3309 -10.3309 -10.3293 -10.3293 -9.1716 -9.1716 -9.1693 -9.1693 -2.2847 -2.2847 -2.2824 -2.2824 -2.1616 -2.1616 -2.1608 -2.1608 0.6443 0.6443 0.6473 0.6473 0.9385 0.9385 0.9426 0.9426 1.5071 1.5071 1.5182 1.5182 2.4303 2.4303 2.4343 2.4343 3.3604 3.3604 3.3610 3.3610 4.1401 4.1401 4.1439 4.1439 4.4818 4.4818 4.4829 4.4829 11.9789 11.9789 11.9859 11.9859 12.5924 12.5924 12.6034 12.6034 13.4165 13.4165 k =-0.3715 0.5171 0.5377 ( 4300 PWs) bands (ev): -13.4258 -13.4258 -13.4258 -13.4258 -10.3569 -10.3569 -10.3554 -10.3554 -9.1402 -9.1402 -9.1380 -9.1380 -2.3532 -2.3532 -2.3510 -2.3510 -2.1255 -2.1255 -2.1247 -2.1247 0.6804 0.6804 0.6838 0.6838 0.9459 0.9459 0.9497 0.9497 1.4876 1.4876 1.4987 1.4987 2.4427 2.4427 2.4466 2.4466 3.3573 3.3573 3.3578 3.3578 4.1136 4.1136 4.1173 4.1173 4.5136 4.5136 4.5147 4.5147 11.9290 11.9290 11.9356 11.9356 12.5976 12.5976 12.6079 12.6079 13.4482 13.4483 k =-0.3800 0.5033 0.5377 ( 4296 PWs) bands (ev): -13.4235 -13.4235 -13.4234 -13.4234 -10.3814 -10.3814 -10.3800 -10.3800 -9.1098 -9.1098 -9.1077 -9.1077 -2.4189 -2.4189 -2.4168 -2.4168 -2.0916 -2.0916 -2.0909 -2.0909 0.7151 0.7151 0.7189 0.7189 0.9532 0.9532 0.9567 0.9567 1.4685 1.4685 1.4796 1.4796 2.4550 2.4550 2.4587 2.4587 3.3539 3.3539 3.3542 3.3542 4.0888 4.0888 4.0925 4.0925 4.5453 4.5453 4.5463 4.5463 11.8804 11.8804 11.8866 11.8866 12.6022 12.6022 12.6118 12.6118 13.4798 13.4798 k =-0.3886 0.4894 0.5377 ( 4292 PWs) bands (ev): -13.4213 -13.4213 -13.4212 -13.4212 -10.4042 -10.4042 -10.4029 -10.4029 -9.0806 -9.0806 -9.0786 -9.0786 -2.4813 -2.4813 -2.4793 -2.4793 -2.0600 -2.0600 -2.0593 -2.0593 0.7484 0.7484 0.7525 0.7525 0.9602 0.9602 0.9636 0.9636 1.4499 1.4499 1.4610 1.4610 2.4670 2.4670 2.4706 2.4706 3.3501 3.3501 3.3504 3.3504 4.0658 4.0658 4.0694 4.0694 4.5764 4.5764 4.5775 4.5775 11.8336 11.8336 11.8394 11.8394 12.6064 12.6064 12.6153 12.6153 13.5104 13.5105 k =-0.3972 0.4756 0.5377 ( 4296 PWs) bands (ev): -13.4192 -13.4192 -13.4192 -13.4192 -10.4255 -10.4255 -10.4243 -10.4243 -9.0527 -9.0527 -9.0508 -9.0508 -2.5404 -2.5404 -2.5384 -2.5384 -2.0307 -2.0307 -2.0300 -2.0300 0.7802 0.7802 0.7847 0.7847 0.9671 0.9671 0.9702 0.9702 1.4318 1.4318 1.4428 1.4428 2.4786 2.4786 2.4820 2.4820 3.3461 3.3461 3.3464 3.3464 4.0445 4.0445 4.0480 4.0480 4.6068 4.6068 4.6078 4.6078 11.7889 11.7889 11.7943 11.7943 12.6106 12.6106 12.6188 12.6188 13.5399 13.5400 k =-0.4057 0.4617 0.5377 ( 4300 PWs) bands (ev): -13.4173 -13.4173 -13.4173 -13.4173 -10.4451 -10.4451 -10.4440 -10.4440 -9.0262 -9.0262 -9.0244 -9.0244 -2.5957 -2.5957 -2.5938 -2.5938 -2.0037 -2.0037 -2.0030 -2.0030 0.8106 0.8106 0.8153 0.8153 0.9737 0.9737 0.9765 0.9765 1.4142 1.4142 1.4251 1.4251 2.4897 2.4897 2.4929 2.4929 3.3420 3.3420 3.3422 3.3422 4.0250 4.0250 4.0283 4.0283 4.6362 4.6362 4.6371 4.6371 11.7468 11.7468 11.7517 11.7517 12.6151 12.6151 12.6226 12.6226 13.5679 13.5679 k =-0.4143 0.4479 0.5377 ( 4304 PWs) bands (ev): -13.4156 -13.4156 -13.4156 -13.4156 -10.4631 -10.4631 -10.4621 -10.4621 -9.0014 -9.0014 -8.9998 -8.9998 -2.6471 -2.6471 -2.6454 -2.6454 -1.9790 -1.9790 -1.9783 -1.9783 0.8393 0.8393 0.8443 0.8443 0.9799 0.9799 0.9825 0.9825 1.3972 1.3972 1.4079 1.4079 2.5002 2.5002 2.5032 2.5032 3.3379 3.3379 3.3380 3.3380 4.0074 4.0074 4.0105 4.0105 4.6642 4.6642 4.6651 4.6651 11.7075 11.7075 11.7120 11.7120 12.6201 12.6201 12.6269 12.6269 13.5939 13.5940 k =-0.4229 0.4341 0.5377 ( 4306 PWs) bands (ev): -13.4140 -13.4140 -13.4140 -13.4140 -10.4794 -10.4794 -10.4785 -10.4785 -8.9784 -8.9784 -8.9769 -8.9769 -2.6943 -2.6943 -2.6928 -2.6928 -1.9566 -1.9566 -1.9560 -1.9560 0.8664 0.8664 0.8716 0.8716 0.9858 0.9858 0.9881 0.9881 1.3809 1.3809 1.3913 1.3913 2.5099 2.5099 2.5127 2.5127 3.3338 3.3338 3.3339 3.3339 3.9915 3.9915 3.9943 3.9943 4.6907 4.6907 4.6915 4.6915 11.6713 11.6713 11.6754 11.6754 12.6257 12.6257 12.6317 12.6317 13.6180 13.6180 k =-0.4314 0.4202 0.5377 ( 4306 PWs) bands (ev): -13.4126 -13.4126 -13.4126 -13.4126 -10.4941 -10.4941 -10.4932 -10.4932 -8.9573 -8.9573 -8.9560 -8.9560 -2.7372 -2.7372 -2.7358 -2.7358 -1.9365 -1.9365 -1.9360 -1.9360 0.8918 0.8918 0.8971 0.8971 0.9912 0.9912 0.9933 0.9933 1.3652 1.3652 1.3752 1.3752 2.5189 2.5189 2.5214 2.5214 3.3298 3.3298 3.3299 3.3299 3.9774 3.9774 3.9800 3.9800 4.7152 4.7152 4.7159 4.7159 11.6384 11.6384 11.6420 11.6420 12.6318 12.6318 12.6371 12.6371 13.6398 13.6398 k =-0.4400 0.4064 0.5377 ( 4302 PWs) bands (ev): -13.4114 -13.4114 -13.4114 -13.4114 -10.5070 -10.5070 -10.5063 -10.5063 -8.9384 -8.9384 -8.9371 -8.9371 -2.7756 -2.7756 -2.7743 -2.7743 -1.9188 -1.9188 -1.9183 -1.9183 0.9153 0.9153 0.9206 0.9206 0.9962 0.9962 0.9980 0.9980 1.3505 1.3505 1.3599 1.3599 2.5269 2.5269 2.5292 2.5292 3.3261 3.3261 3.3262 3.3262 3.9650 3.9650 3.9674 3.9674 4.7376 4.7376 4.7382 4.7382 11.6089 11.6089 11.6121 11.6121 12.6384 12.6384 12.6431 12.6431 13.6592 13.6592 k =-0.4486 0.3925 0.5377 ( 4298 PWs) bands (ev): -13.4103 -13.4103 -13.4103 -13.4103 -10.5182 -10.5182 -10.5176 -10.5176 -8.9216 -8.9216 -8.9205 -8.9205 -2.8092 -2.8092 -2.8080 -2.8080 -1.9034 -1.9034 -1.9030 -1.9030 0.9369 0.9369 0.9420 0.9420 1.0006 1.0006 1.0021 1.0021 1.3367 1.3367 1.3455 1.3455 2.5341 2.5341 2.5360 2.5360 3.3227 3.3227 3.3228 3.3228 3.9544 3.9544 3.9564 3.9564 4.7576 4.7576 4.7581 4.7581 11.5832 11.5832 11.5859 11.5859 12.6453 12.6453 12.6493 12.6493 13.6762 13.6762 k =-0.4572 0.3787 0.5377 ( 4302 PWs) bands (ev): -13.4094 -13.4094 -13.4094 -13.4094 -10.5278 -10.5278 -10.5272 -10.5272 -8.9072 -8.9072 -8.9063 -8.9063 -2.8379 -2.8379 -2.8369 -2.8369 -1.8904 -1.8904 -1.8900 -1.8900 0.9562 0.9562 0.9610 0.9610 1.0045 1.0045 1.0057 1.0057 1.3243 1.3243 1.3322 1.3322 2.5402 2.5402 2.5419 2.5419 3.3197 3.3197 3.3198 3.3198 3.9455 3.9455 3.9472 3.9472 4.7749 4.7749 4.7754 4.7754 11.5611 11.5611 11.5634 11.5634 12.6522 12.6522 12.6555 12.6555 13.6906 13.6907 k =-0.4657 0.3648 0.5377 ( 4308 PWs) bands (ev): -13.4086 -13.4086 -13.4086 -13.4086 -10.5356 -10.5356 -10.5351 -10.5351 -8.8952 -8.8952 -8.8945 -8.8945 -2.8615 -2.8615 -2.8608 -2.8608 -1.8797 -1.8797 -1.8794 -1.8794 0.9729 0.9729 0.9772 0.9772 1.0078 1.0078 1.0087 1.0087 1.3134 1.3134 1.3202 1.3202 2.5453 2.5453 2.5466 2.5466 3.3172 3.3172 3.3173 3.3173 3.9383 3.9383 3.9397 3.9397 4.7894 4.7894 4.7898 4.7898 11.5430 11.5430 11.5449 11.5449 12.6587 12.6587 12.6614 12.6614 13.7025 13.7025 k =-0.4743 0.3510 0.5377 ( 4308 PWs) bands (ev): -13.4081 -13.4081 -13.4081 -13.4081 -10.5416 -10.5416 -10.5413 -10.5413 -8.8858 -8.8858 -8.8852 -8.8852 -2.8800 -2.8800 -2.8795 -2.8795 -1.8714 -1.8714 -1.8712 -1.8712 0.9868 0.9868 0.9902 0.9902 1.0104 1.0104 1.0110 1.0110 1.3045 1.3045 1.3100 1.3100 2.5493 2.5493 2.5503 2.5503 3.3152 3.3152 3.3152 3.3152 3.9327 3.9327 3.9338 3.9338 4.8008 4.8008 4.8011 4.8011 11.5289 11.5289 11.5303 11.5303 12.6645 12.6645 12.6665 12.6665 13.7117 13.7117 k =-0.4829 0.3371 0.5377 ( 4320 PWs) bands (ev): -13.4076 -13.4076 -13.4076 -13.4076 -10.5459 -10.5459 -10.5457 -10.5457 -8.8790 -8.8790 -8.8786 -8.8786 -2.8933 -2.8933 -2.8929 -2.8929 -1.8654 -1.8654 -1.8653 -1.8653 0.9974 0.9974 0.9997 0.9997 1.0124 1.0124 1.0126 1.0126 1.2981 1.2981 1.3019 1.3019 2.5522 2.5522 2.5529 2.5529 3.3137 3.3137 3.3137 3.3137 3.9288 3.9288 3.9295 3.9295 4.8091 4.8091 4.8093 4.8093 11.5188 11.5188 11.5197 11.5197 12.6691 12.6691 12.6704 12.6704 13.7183 13.7183 k =-0.4914 0.3233 0.5377 ( 4320 PWs) bands (ev): -13.4074 -13.4074 -13.4074 -13.4074 -10.5485 -10.5485 -10.5484 -10.5484 -8.8748 -8.8748 -8.8746 -8.8746 -2.9012 -2.9012 -2.9011 -2.9011 -1.8618 -1.8618 -1.8618 -1.8618 1.0041 1.0041 1.0053 1.0053 1.0137 1.0137 1.0137 1.0137 1.2944 1.2944 1.2964 1.2964 2.5541 2.5541 2.5544 2.5544 3.3128 3.3128 3.3128 3.3128 3.9266 3.9266 3.9269 3.9269 4.8142 4.8142 4.8143 4.8143 11.5129 11.5129 11.5133 11.5133 12.6721 12.6721 12.6728 12.6728 13.7223 13.7223 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4073 -13.4073 -13.4073 -13.4073 -10.5493 -10.5493 -10.5493 -10.5493 -8.8734 -8.8734 -8.8734 -8.8734 -2.9038 -2.9038 -2.9038 -2.9038 -1.8606 -1.8606 -1.8606 -1.8606 1.0068 1.0068 1.0068 1.0068 1.0141 1.0141 1.0141 1.0141 1.2939 1.2939 1.2939 1.2939 2.5548 2.5548 2.5548 2.5548 3.3125 3.3125 3.3125 3.3125 3.9259 3.9259 3.9259 3.9259 4.8159 4.8159 4.8159 4.8159 11.5110 11.5110 11.5110 11.5110 12.6734 12.6734 12.6734 12.6734 13.7236 13.7236 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4073 -13.4073 -13.4073 -13.4073 -10.5493 -10.5493 -10.5493 -10.5493 -8.8734 -8.8734 -8.8734 -8.8734 -2.9038 -2.9038 -2.9038 -2.9038 -1.8606 -1.8606 -1.8606 -1.8606 1.0068 1.0068 1.0068 1.0068 1.0141 1.0141 1.0141 1.0141 1.2939 1.2939 1.2939 1.2939 2.5548 2.5548 2.5548 2.5548 3.3125 3.3125 3.3125 3.3125 3.9259 3.9259 3.9259 3.9259 4.8159 4.8159 4.8159 4.8159 11.5110 11.5110 11.5110 11.5110 12.6734 12.6734 12.6734 12.6734 13.7236 13.7236 k =-0.5000 0.3095 0.5214 ( 4320 PWs) bands (ev): -13.4120 -13.4120 -13.4027 -13.4027 -10.6052 -10.6052 -10.4923 -10.4923 -8.8790 -8.8790 -8.8679 -8.8679 -2.9082 -2.9082 -2.8966 -2.8966 -1.8894 -1.8894 -1.8335 -1.8335 0.9262 0.9262 1.0076 1.0076 1.0185 1.0185 1.0514 1.0514 1.2854 1.2854 1.3411 1.3411 2.5501 2.5501 2.5582 2.5582 3.3011 3.3011 3.3191 3.3191 3.8993 3.8993 3.9540 3.9540 4.8147 4.8147 4.8179 4.8179 11.5150 11.5150 11.5162 11.5162 12.6669 12.6669 12.6766 12.6766 13.6877 13.6877 k =-0.5000 0.3095 0.5051 ( 4324 PWs) bands (ev): -13.4168 -13.4168 -13.3981 -13.3981 -10.6600 -10.6600 -10.4344 -10.4344 -8.8849 -8.8849 -8.8626 -8.8626 -2.9097 -2.9097 -2.8866 -2.8866 -1.9200 -1.9200 -1.8079 -1.8079 0.8263 0.8263 1.0000 1.0000 1.0220 1.0220 1.0589 1.0589 1.2984 1.2984 1.4267 1.4267 2.5440 2.5440 2.5600 2.5600 3.2843 3.2843 3.3214 3.3214 3.8744 3.8744 3.9831 3.9831 4.8144 4.8144 4.8206 4.8206 11.5281 11.5281 11.5303 11.5303 12.6574 12.6574 12.6761 12.6761 13.6506 13.6506 k =-0.5000 0.3095 0.4888 ( 4324 PWs) bands (ev): -13.4215 -13.4215 -13.3936 -13.3936 -10.7136 -10.7136 -10.3756 -10.3756 -8.8910 -8.8910 -8.8576 -8.8576 -2.9083 -2.9083 -2.8738 -2.8738 -1.9524 -1.9524 -1.7839 -1.7839 0.7195 0.7195 0.9908 0.9908 1.0243 1.0243 1.0468 1.0468 1.3208 1.3208 1.5333 1.5333 2.5366 2.5366 2.5604 2.5604 3.2621 3.2621 3.3201 3.3201 3.8515 3.8515 4.0127 4.0127 4.8149 4.8149 4.8240 4.8240 11.5504 11.5504 11.5531 11.5531 12.6456 12.6456 12.6717 12.6717 13.6127 13.6127 k =-0.5000 0.3095 0.4725 ( 4316 PWs) bands (ev): -13.4263 -13.4263 -13.3891 -13.3891 -10.7660 -10.7660 -10.3160 -10.3160 -8.8972 -8.8972 -8.8528 -8.8528 -2.9041 -2.9041 -2.8583 -2.8583 -1.9868 -1.9868 -1.7612 -1.7612 0.6111 0.6111 0.9799 0.9799 1.0245 1.0245 1.0274 1.0274 1.3479 1.3479 1.6493 1.6493 2.5280 2.5280 2.5593 2.5593 3.2344 3.2344 3.3158 3.3158 3.8307 3.8307 4.0423 4.0423 4.8164 4.8164 4.8281 4.8281 11.5818 11.5818 11.5844 11.5844 12.6317 12.6317 12.6633 12.6633 13.5744 13.5744 k =-0.5000 0.3095 0.4563 ( 4324 PWs) bands (ev): -13.4311 -13.4311 -13.3848 -13.3848 -10.8170 -10.8170 -10.2557 -10.2557 -8.9035 -8.9035 -8.8482 -8.8482 -2.8970 -2.8970 -2.8401 -2.8401 -2.0233 -2.0233 -1.7399 -1.7399 0.5036 0.5036 0.9670 0.9670 1.0023 1.0023 1.0257 1.0257 1.3772 1.3772 1.7697 1.7697 2.5182 2.5182 2.5567 2.5567 3.2017 3.2017 3.3093 3.3093 3.8118 3.8118 4.0716 4.0716 4.8190 4.8190 4.8327 4.8327 11.6221 11.6221 11.6237 11.6237 12.6164 12.6164 12.6510 12.6510 13.5358 13.5358 k =-0.5000 0.3095 0.4400 ( 4318 PWs) bands (ev): -13.4359 -13.4359 -13.3806 -13.3806 -10.8666 -10.8666 -10.1948 -10.1948 -8.9100 -8.9100 -8.8439 -8.8439 -2.8872 -2.8872 -2.8192 -2.8192 -2.0618 -2.0618 -1.7198 -1.7198 0.3982 0.3982 0.9520 0.9520 0.9768 0.9768 1.0246 1.0246 1.4079 1.4079 1.8920 1.8920 2.5072 2.5072 2.5526 2.5526 3.1645 3.1645 3.3013 3.3013 3.7946 3.7946 4.1002 4.1002 4.8227 4.8227 4.8378 4.8378 11.6705 11.6705 11.6715 11.6715 12.5999 12.5999 12.6349 12.6349 13.4975 13.4975 k =-0.5000 0.3095 0.4237 ( 4308 PWs) bands (ev): -13.4407 -13.4407 -13.3764 -13.3764 -10.9148 -10.9148 -10.1335 -10.1335 -8.9165 -8.9165 -8.8399 -8.8399 -2.8746 -2.8746 -2.7959 -2.7959 -2.1026 -2.1026 -1.7009 -1.7009 0.2957 0.2957 0.9347 0.9347 0.9508 0.9508 1.0224 1.0224 1.4394 1.4394 2.0151 2.0151 2.4949 2.4949 2.5472 2.5472 3.1234 3.1234 3.2922 3.2922 3.7787 3.7787 4.1278 4.1278 4.8275 4.8275 4.8434 4.8434 11.7248 11.7248 11.7289 11.7289 12.5828 12.5828 12.6156 12.6156 13.4597 13.4597 k =-0.5000 0.3095 0.4074 ( 4306 PWs) bands (ev): -13.4454 -13.4454 -13.3724 -13.3724 -10.9616 -10.9616 -10.0718 -10.0718 -8.9231 -8.9231 -8.8361 -8.8361 -2.8593 -2.8593 -2.7700 -2.7700 -2.1455 -2.1455 -1.6832 -1.6832 0.1967 0.1967 0.9148 0.9148 0.9247 0.9247 1.0190 1.0190 1.4712 1.4712 2.1379 2.1379 2.4814 2.4814 2.5405 2.5405 3.0794 3.0794 3.2826 3.2826 3.7639 3.7639 4.1542 4.1542 4.8335 4.8335 4.8495 4.8495 11.7856 11.7856 11.7947 11.7947 12.5653 12.5653 12.5933 12.5933 13.4228 13.4228 k =-0.5000 0.3095 0.3911 ( 4310 PWs) bands (ev): -13.4501 -13.4501 -13.3685 -13.3685 -11.0068 -11.0068 -10.0100 -10.0100 -8.9297 -8.9297 -8.8326 -8.8326 -2.8414 -2.8414 -2.7419 -2.7419 -2.1907 -2.1907 -1.6665 -1.6665 0.1016 0.1016 0.8924 0.8924 0.8989 0.8989 1.0144 1.0144 1.5031 1.5031 2.2598 2.2598 2.4666 2.4666 2.5329 2.5329 3.0332 3.0332 3.2730 3.2730 3.7497 3.7497 4.1793 4.1793 4.8409 4.8409 4.8558 4.8558 11.8524 11.8524 11.8683 11.8683 12.5478 12.5478 12.5686 12.5686 13.3872 13.3872 k =-0.5000 0.3095 0.3748 ( 4310 PWs) bands (ev): -13.4547 -13.4547 -13.3648 -13.3648 -11.0504 -11.0504 -9.9481 -9.9481 -8.9364 -8.9364 -8.8293 -8.8293 -2.8209 -2.8209 -2.7115 -2.7115 -2.2380 -2.2380 -1.6508 -1.6508 0.0108 0.0108 0.8672 0.8672 0.8736 0.8736 1.0084 1.0084 1.5349 1.5349 2.3801 2.3801 2.4505 2.4505 2.5245 2.5245 2.9860 2.9860 3.2635 3.2635 3.7360 3.7360 4.2029 4.2029 4.8496 4.8496 4.8625 4.8625 11.9245 11.9245 11.9492 11.9492 12.5305 12.5305 12.5422 12.5422 13.3532 13.3532 k =-0.5000 0.3095 0.3585 ( 4306 PWs) bands (ev): -13.4593 -13.4593 -13.3611 -13.3611 -11.0924 -11.0924 -9.8863 -9.8863 -8.9430 -8.9430 -8.8263 -8.8263 -2.7981 -2.7981 -2.6791 -2.6791 -2.2875 -2.2875 -1.6361 -1.6361 -0.0754 -0.0754 0.8391 0.8391 0.8488 0.8488 1.0010 1.0010 1.5665 1.5665 2.4327 2.4327 2.4985 2.4985 2.5156 2.5156 2.9384 2.9384 3.2545 3.2545 3.7225 3.7225 4.2249 4.2249 4.8598 4.8598 4.8694 4.8694 12.0011 12.0011 12.0370 12.0370 12.5118 12.5118 12.5163 12.5163 13.3213 13.3213 k =-0.5000 0.3095 0.3422 ( 4310 PWs) bands (ev): -13.4637 -13.4637 -13.3576 -13.3576 -11.1328 -11.1328 -9.8248 -9.8248 -8.9495 -8.9495 -8.8235 -8.8235 -2.7729 -2.7729 -2.6447 -2.6447 -2.3389 -2.3389 -1.6223 -1.6223 -0.1569 -0.1569 0.8081 0.8081 0.8248 0.8248 0.9920 0.9920 1.5978 1.5978 2.4134 2.4134 2.5065 2.5065 2.6143 2.6143 2.8915 2.8915 3.2461 3.2461 3.7090 3.7090 4.2453 4.2453 4.8715 4.8715 4.8765 4.8765 12.0815 12.0815 12.1311 12.1311 12.4845 12.4845 12.4990 12.4990 13.2918 13.2918 k =-0.5000 0.3095 0.3259 ( 4314 PWs) bands (ev): -13.4681 -13.4681 -13.3543 -13.3543 -11.1715 -11.1715 -9.7637 -9.7637 -8.9560 -8.9560 -8.8210 -8.8210 -2.7455 -2.7455 -2.6086 -2.6086 -2.3921 -2.3921 -1.6094 -1.6094 -0.2336 -0.2336 0.7742 0.7742 0.8016 0.8016 0.9813 0.9813 1.6285 1.6285 2.3924 2.3924 2.4976 2.4976 2.7269 2.7269 2.8461 2.8461 3.2384 3.2384 3.6956 3.6956 4.2641 4.2641 4.8833 4.8833 4.8853 4.8853 12.1645 12.1645 12.2310 12.2310 12.4552 12.4552 12.4841 12.4841 13.2653 13.2653 k =-0.5000 0.3095 0.3096 ( 4310 PWs) bands (ev): -13.4723 -13.4723 -13.3511 -13.3511 -11.2085 -11.2085 -9.7033 -9.7033 -8.9624 -8.9624 -8.8187 -8.8187 -2.7161 -2.7161 -2.5709 -2.5709 -2.4469 -2.4469 -1.5974 -1.5974 -0.3054 -0.3054 0.7373 0.7373 0.7793 0.7793 0.9689 0.9689 1.6586 1.6586 2.3696 2.3696 2.4890 2.4890 2.8026 2.8026 2.8364 2.8364 3.2315 3.2315 3.6822 3.6822 4.2813 4.2813 4.8909 4.8909 4.9000 4.9000 12.2490 12.2490 12.3359 12.3359 12.4258 12.4258 12.4707 12.4707 13.2424 13.2424 k =-0.5000 0.3095 0.2933 ( 4310 PWs) bands (ev): -13.4765 -13.4765 -13.3481 -13.3481 -11.2438 -11.2438 -9.6437 -9.6437 -8.9686 -8.9686 -8.8166 -8.8166 -2.6849 -2.6849 -2.5318 -2.5318 -2.5028 -2.5028 -1.5862 -1.5862 -0.3722 -0.3722 0.6977 0.6977 0.7579 0.7579 0.9545 0.9545 1.6879 1.6879 2.3450 2.3450 2.4811 2.4811 2.7624 2.7624 2.9413 2.9413 3.2252 3.2252 3.6687 3.6687 4.2969 4.2969 4.8982 4.8982 4.9167 4.9167 12.3336 12.3336 12.3966 12.3966 12.4449 12.4449 12.4591 12.4591 13.2239 13.2239 k =-0.5000 0.3095 0.2770 ( 4310 PWs) bands (ev): -13.4804 -13.4804 -13.3452 -13.3452 -11.2772 -11.2772 -9.5852 -9.5852 -8.9747 -8.9747 -8.8147 -8.8147 -2.6520 -2.6520 -2.5598 -2.5598 -2.4915 -2.4915 -1.5757 -1.5757 -0.4342 -0.4342 0.6556 0.6556 0.7375 0.7375 0.9381 0.9381 1.7164 1.7164 2.3189 2.3189 2.4741 2.4741 2.7254 2.7254 3.0418 3.0418 3.2197 3.2197 3.6553 3.6553 4.3109 4.3109 4.9055 4.9055 4.9352 4.9352 12.3670 12.3670 12.4178 12.4178 12.4483 12.4483 12.5581 12.5581 13.2107 13.2107 k =-0.5000 0.3095 0.2607 ( 4306 PWs) bands (ev): -13.4843 -13.4843 -13.3425 -13.3425 -11.3089 -11.3089 -9.5280 -9.5280 -8.9806 -8.9806 -8.8130 -8.8130 -2.6181 -2.6181 -2.6167 -2.6167 -2.4504 -2.4504 -1.5660 -1.5660 -0.4914 -0.4914 0.6111 0.6111 0.7181 0.7181 0.9196 0.9196 1.7439 1.7439 2.2915 2.2915 2.4680 2.4680 2.6919 2.6919 3.1374 3.1374 3.2147 3.2147 3.6420 3.6420 4.3235 4.3235 4.9127 4.9127 4.9554 4.9554 12.3393 12.3393 12.4398 12.4398 12.4976 12.4976 12.6735 12.6735 13.2041 13.2041 k =-0.5000 0.3095 0.2444 ( 4302 PWs) bands (ev): -13.4879 -13.4879 -13.3399 -13.3399 -11.3388 -11.3388 -9.4723 -9.4723 -8.9863 -8.9863 -8.8115 -8.8115 -2.6745 -2.6745 -2.5821 -2.5821 -2.4086 -2.4086 -1.5570 -1.5570 -0.5439 -0.5439 0.5648 0.5648 0.6998 0.6998 0.8992 0.8992 1.7704 1.7704 2.2633 2.2633 2.4631 2.4631 2.6620 2.6620 3.2101 3.2101 3.2278 3.2278 3.6288 3.6288 4.3346 4.3346 4.9198 4.9198 4.9773 4.9773 12.3123 12.3123 12.4333 12.4333 12.5716 12.5716 12.7903 12.7903 13.2057 13.2057 k =-0.5000 0.3095 0.2281 ( 4304 PWs) bands (ev): -13.4914 -13.4914 -13.3375 -13.3375 -11.3669 -11.3669 -9.4183 -9.4183 -8.9917 -8.9917 -8.8102 -8.8102 -2.7315 -2.7315 -2.5456 -2.5456 -2.3665 -2.3665 -1.5488 -1.5488 -0.5919 -0.5919 0.5170 0.5170 0.6826 0.6826 0.8767 0.8767 1.7956 1.7956 2.2349 2.2349 2.4593 2.4593 2.6357 2.6357 3.2063 3.2063 3.3122 3.3122 3.6159 3.6159 4.3444 4.3444 4.9266 4.9266 5.0008 5.0008 12.2863 12.2863 12.4288 12.4288 12.6372 12.6372 12.9071 12.9071 13.2174 13.2174 k =-0.5000 0.3095 0.2118 ( 4298 PWs) bands (ev): -13.4947 -13.4947 -13.3352 -13.3352 -11.3931 -11.3931 -9.3664 -9.3664 -8.9969 -8.9969 -8.8090 -8.8090 -2.7875 -2.7875 -2.5086 -2.5086 -2.3244 -2.3244 -1.5412 -1.5412 -0.6356 -0.6356 0.4682 0.4682 0.6664 0.6664 0.8525 0.8525 1.8196 1.8196 2.2069 2.2069 2.4566 2.4566 2.6125 2.6125 3.2028 3.2028 3.3907 3.3907 3.6034 3.6034 4.3529 4.3529 4.9333 4.9333 5.0257 5.0257 12.2617 12.2617 12.4267 12.4267 12.6920 12.6920 13.0222 13.0222 13.2407 13.2407 k =-0.5000 0.3095 0.1955 ( 4294 PWs) bands (ev): -13.4978 -13.4978 -13.3332 -13.3332 -11.4174 -11.4174 -9.3168 -9.3168 -9.0017 -9.0017 -8.8080 -8.8080 -2.8421 -2.8421 -2.4713 -2.4713 -2.2827 -2.2827 -1.5342 -1.5342 -0.6751 -0.6751 0.4189 0.4189 0.6514 0.6514 0.8267 0.8267 1.8423 1.8423 2.1798 2.1798 2.4550 2.4550 2.5923 2.5923 3.1996 3.1996 3.4629 3.4629 3.5912 3.5912 4.3603 4.3603 4.9396 4.9396 5.0517 5.0517 12.2385 12.2385 12.4269 12.4269 12.7346 12.7346 13.1334 13.1334 13.2758 13.2758 k =-0.5000 0.3095 0.1792 ( 4292 PWs) bands (ev): -13.5007 -13.5007 -13.3312 -13.3312 -11.4398 -11.4398 -9.2698 -9.2698 -9.0063 -9.0063 -8.8071 -8.8071 -2.8947 -2.8947 -2.4342 -2.4342 -2.2417 -2.2417 -1.5279 -1.5279 -0.7106 -0.7106 0.3697 0.3697 0.6376 0.6376 0.7997 0.7997 1.8635 1.8635 2.1542 2.1542 2.4543 2.4543 2.5746 2.5746 3.1967 3.1967 3.5287 3.5287 3.5797 3.5797 4.3666 4.3666 4.9456 4.9456 5.0786 5.0786 12.2169 12.2169 12.4297 12.4297 12.7655 12.7655 13.2381 13.2381 13.3213 13.3213 k =-0.5000 0.3095 0.1629 ( 4286 PWs) bands (ev): -13.5033 -13.5033 -13.3295 -13.3295 -11.4603 -11.4603 -9.2257 -9.2257 -9.0106 -9.0106 -8.8063 -8.8063 -2.9449 -2.9449 -2.3976 -2.3976 -2.2020 -2.2020 -1.5222 -1.5222 -0.7424 -0.7424 0.3214 0.3214 0.6249 0.6249 0.7719 0.7719 1.8832 1.8832 2.1304 2.1304 2.4545 2.4545 2.5593 2.5593 3.1941 3.1941 3.5686 3.5686 3.5883 3.5883 4.3719 4.3719 4.9513 4.9513 5.1059 5.1059 12.1969 12.1969 12.4352 12.4352 12.7866 12.7866 13.3331 13.3331 13.3716 13.3716 k =-0.5000 0.3095 0.1467 ( 4286 PWs) bands (ev): -13.5058 -13.5058 -13.3279 -13.3279 -11.4789 -11.4789 -9.1847 -9.1847 -9.0145 -9.0145 -8.8057 -8.8057 -2.9920 -2.9920 -2.3621 -2.3621 -2.1638 -2.1638 -1.5171 -1.5171 -0.7705 -0.7705 0.2745 0.2745 0.6133 0.6133 0.7439 0.7439 1.9013 1.9013 2.1088 2.1088 2.4553 2.4553 2.5461 2.5461 3.1917 3.1917 3.5585 3.5585 3.6412 3.6412 4.3764 4.3764 4.9565 4.9565 5.1330 5.1330 12.1786 12.1786 12.4433 12.4433 12.8005 12.8005 13.3005 13.3005 13.4160 13.4160 k =-0.5000 0.3095 0.1304 ( 4286 PWs) bands (ev): -13.5080 -13.5080 -13.3265 -13.3265 -11.4956 -11.4956 -9.1471 -9.1471 -9.0180 -9.0180 -8.8051 -8.8051 -3.0356 -3.0356 -2.3282 -2.3282 -2.1278 -2.1278 -1.5126 -1.5126 -0.7953 -0.7953 0.2297 0.2297 0.6030 0.6030 0.7162 0.7162 1.9176 1.9176 2.0895 2.0895 2.4566 2.4566 2.5347 2.5347 3.1895 3.1895 3.5491 3.5491 3.6878 3.6878 4.3801 4.3801 4.9613 4.9613 5.1595 5.1595 12.1621 12.1621 12.4542 12.4542 12.8093 12.8093 13.2308 13.2308 13.4842 13.4842 k =-0.5000 0.3095 0.1141 ( 4286 PWs) bands (ev): -13.5100 -13.5100 -13.3253 -13.3253 -11.5104 -11.5104 -9.1132 -9.1132 -9.0212 -9.0212 -8.8047 -8.8047 -3.0753 -3.0753 -2.2963 -2.2963 -2.0944 -2.0944 -1.5087 -1.5087 -0.8167 -0.8167 0.1879 0.1879 0.5938 0.5938 0.6896 0.6896 1.9322 1.9322 2.0726 2.0726 2.4583 2.4583 2.5249 2.5249 3.1876 3.1876 3.5406 3.5406 3.7283 3.7283 4.3831 4.3831 4.9656 4.9656 5.1848 5.1848 12.1474 12.1474 12.4678 12.4678 12.8149 12.8149 13.1635 13.1635 13.5379 13.5379 k =-0.5000 0.3095 0.0978 ( 4282 PWs) bands (ev): -13.5117 -13.5117 -13.3242 -13.3242 -11.5232 -11.5232 -9.0833 -9.0833 -9.0239 -9.0239 -8.8043 -8.8043 -3.1107 -3.1107 -2.2671 -2.2671 -2.0641 -2.0641 -1.5052 -1.5052 -0.8350 -0.8350 0.1496 0.1496 0.5859 0.5859 0.6647 0.6647 1.9450 1.9450 2.0582 2.0582 2.4601 2.4601 2.5167 2.5167 3.1858 3.1858 3.5331 3.5331 3.7628 3.7628 4.3855 4.3855 4.9694 4.9694 5.2082 5.2082 12.1346 12.1346 12.4840 12.4840 12.8183 12.8183 13.0995 13.0995 13.5782 13.5782 k =-0.5000 0.3095 0.0815 ( 4266 PWs) bands (ev): -13.5132 -13.5132 -13.3233 -13.3233 -11.5340 -11.5340 -9.0575 -9.0575 -9.0263 -9.0263 -8.8040 -8.8040 -3.1413 -3.1413 -2.2411 -2.2411 -2.0374 -2.0374 -1.5024 -1.5024 -0.8503 -0.8503 0.1157 0.1157 0.5791 0.5791 0.6422 0.6422 1.9560 1.9560 2.0461 2.0461 2.4619 2.4619 2.5100 2.5100 3.1843 3.1843 3.5266 3.5266 3.7915 3.7915 4.3874 4.3874 4.9726 4.9726 5.2291 5.2291 12.1238 12.1238 12.5024 12.5024 12.8203 12.8203 13.0396 13.0396 13.6074 13.6074 k =-0.5000 0.3095 0.0652 ( 4262 PWs) bands (ev): -13.5144 -13.5144 -13.3225 -13.3225 -11.5429 -11.5429 -9.0362 -9.0362 -9.0280 -9.0280 -8.8037 -8.8037 -3.1668 -3.1668 -2.2189 -2.2189 -2.0147 -2.0147 -1.5001 -1.5001 -0.8627 -0.8627 0.0869 0.0869 0.5736 0.5736 0.6227 0.6227 1.9650 1.9650 2.0364 2.0364 2.4635 2.4635 2.5047 2.5047 3.1830 3.1830 3.5212 3.5212 3.8147 3.8147 4.3888 4.3888 4.9753 4.9753 5.2471 5.2471 12.1148 12.1148 12.5225 12.5225 12.8216 12.8216 12.9849 12.9849 13.6279 13.6279 k =-0.5000 0.3095 0.0489 ( 4258 PWs) bands (ev): -13.5153 -13.5153 -13.3219 -13.3219 -11.5498 -11.5498 -9.0300 -9.0300 -9.0189 -9.0189 -8.8035 -8.8035 -3.1870 -3.1870 -2.2010 -2.2010 -1.9967 -1.9967 -1.4983 -1.4983 -0.8722 -0.8722 0.0637 0.0637 0.5693 0.5693 0.6069 0.6069 1.9720 1.9720 2.0289 2.0289 2.4649 2.4649 2.5006 2.5006 3.1820 3.1820 3.5170 3.5170 3.8324 3.8324 4.3899 4.3899 4.9774 4.9774 5.2617 5.2617 12.1079 12.1079 12.5430 12.5430 12.8223 12.8223 12.9370 12.9370 13.6419 13.6419 k =-0.5000 0.3095 0.0326 ( 4274 PWs) bands (ev): -13.5160 -13.5160 -13.3215 -13.3215 -11.5547 -11.5547 -9.0310 -9.0310 -9.0069 -9.0069 -8.8034 -8.8034 -3.2015 -3.2015 -2.1878 -2.1878 -1.9835 -1.9835 -1.4970 -1.4970 -0.8789 -0.8789 0.0467 0.0467 0.5662 0.5662 0.5952 0.5952 1.9771 1.9771 2.0236 2.0236 2.4659 2.4659 2.4978 2.4978 3.1813 3.1813 3.5139 3.5139 3.8450 3.8450 4.3906 4.3906 4.9789 4.9789 5.2723 5.2723 12.1029 12.1029 12.5620 12.5620 12.8227 12.8227 12.8983 12.8983 13.6509 13.6509 k =-0.5000 0.3095 0.0163 ( 4278 PWs) bands (ev): -13.5164 -13.5164 -13.3213 -13.3213 -11.5577 -11.5577 -9.0316 -9.0316 -8.9996 -8.9996 -8.8033 -8.8033 -3.2103 -3.2103 -2.1798 -2.1798 -1.9754 -1.9754 -1.4962 -1.4962 -0.8830 -0.8830 0.0364 0.0364 0.5644 0.5644 0.5880 0.5880 1.9801 1.9801 2.0205 2.0205 2.4665 2.4665 2.4961 2.4961 3.1808 3.1808 3.5121 3.5121 3.8525 3.8525 4.3910 4.3910 4.9799 4.9799 5.2789 5.2789 12.0999 12.0999 12.5761 12.5761 12.8229 12.8229 12.8723 12.8723 13.6559 13.6559 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5165 -13.5165 -13.3212 -13.3212 -11.5587 -11.5587 -9.0318 -9.0318 -8.9971 -8.9971 -8.8033 -8.8033 -3.2133 -3.2133 -2.1771 -2.1771 -1.9727 -1.9727 -1.4960 -1.4960 -0.8843 -0.8843 0.0329 0.0329 0.5638 0.5638 0.5856 0.5856 1.9811 1.9811 2.0195 2.0195 2.4667 2.4667 2.4956 2.4956 3.1807 3.1807 3.5114 3.5114 3.8550 3.8550 4.3912 4.3912 4.9802 4.9802 5.2811 5.2811 12.0989 12.0989 12.5814 12.5814 12.8230 12.8230 12.8630 12.8630 13.6575 13.6575 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.5534 -13.5534 -13.5534 -13.5534 -10.1174 -10.1174 -10.1174 -10.1174 -8.8568 -8.8568 -8.8568 -8.8568 -4.2418 -4.2418 -4.2418 -4.2418 -0.6652 -0.6652 -0.6652 -0.6652 0.0705 0.0705 0.0705 0.0705 0.7439 0.7439 0.7439 0.7439 2.3118 2.3118 2.3118 2.3118 2.6197 2.6197 2.6197 2.6197 3.3239 3.3239 3.3239 3.3239 3.9780 3.9780 3.9780 3.9780 5.3745 5.3745 5.3745 5.3745 11.1563 11.1563 11.1563 11.1563 12.0647 12.0647 12.0647 12.0647 13.0103 13.0103 k =-0.0139 0.0086 0.5377 ( 4280 PWs) bands (ev): -13.5531 -13.5531 -13.5531 -13.5531 -10.1183 -10.1183 -10.1183 -10.1183 -8.8569 -8.8569 -8.8567 -8.8567 -4.2402 -4.2402 -4.2399 -4.2399 -0.6671 -0.6671 -0.6669 -0.6669 0.0719 0.0719 0.0721 0.0721 0.7446 0.7446 0.7448 0.7448 2.3068 2.3068 2.3072 2.3072 2.6234 2.6234 2.6238 2.6238 3.3236 3.3236 3.3237 3.3237 3.9766 3.9766 3.9768 3.9768 5.3740 5.3740 5.3741 5.3741 11.1565 11.1565 11.1566 11.1566 12.0664 12.0664 12.0669 12.0669 13.0110 13.0110 k =-0.0278 0.0172 0.5377 ( 4288 PWs) bands (ev): -13.5524 -13.5524 -13.5523 -13.5523 -10.1210 -10.1210 -10.1209 -10.1209 -8.8569 -8.8569 -8.8566 -8.8566 -4.2350 -4.2350 -4.2345 -4.2345 -0.6726 -0.6726 -0.6724 -0.6724 0.0762 0.0762 0.0765 0.0765 0.7470 0.7470 0.7474 0.7474 2.2931 2.2931 2.2939 2.2939 2.6341 2.6341 2.6349 2.6349 3.3230 3.3230 3.3231 3.3231 3.9727 3.9727 3.9729 3.9729 5.3725 5.3725 5.3726 5.3726 11.1571 11.1571 11.1573 11.1573 12.0717 12.0717 12.0727 12.0727 13.0133 13.0133 k =-0.0417 0.0258 0.5377 ( 4292 PWs) bands (ev): -13.5511 -13.5511 -13.5510 -13.5510 -10.1254 -10.1254 -10.1252 -10.1252 -8.8569 -8.8569 -8.8565 -8.8565 -4.2263 -4.2263 -4.2256 -4.2256 -0.6818 -0.6818 -0.6814 -0.6814 0.0833 0.0833 0.0838 0.0838 0.7510 0.7510 0.7516 0.7516 2.2721 2.2721 2.2732 2.2732 2.6504 2.6504 2.6515 2.6515 3.3219 3.3219 3.3221 3.3221 3.9663 3.9663 3.9666 3.9666 5.3699 5.3699 5.3701 5.3701 11.1583 11.1583 11.1586 11.1586 12.0807 12.0807 12.0822 12.0822 13.0173 13.0173 k =-0.0556 0.0344 0.5377 ( 4300 PWs) bands (ev): -13.5494 -13.5494 -13.5493 -13.5493 -10.1314 -10.1314 -10.1312 -10.1312 -8.8569 -8.8569 -8.8564 -8.8564 -4.2141 -4.2141 -4.2131 -4.2131 -0.6944 -0.6944 -0.6938 -0.6938 0.0932 0.0932 0.0939 0.0939 0.7565 0.7565 0.7574 0.7574 2.2457 2.2457 2.2469 2.2469 2.6704 2.6704 2.6717 2.6717 3.3204 3.3204 3.3207 3.3207 3.9576 3.9576 3.9580 3.9580 5.3662 5.3662 5.3664 5.3664 11.1602 11.1602 11.1605 11.1605 12.0930 12.0930 12.0951 12.0951 13.0228 13.0228 k =-0.0694 0.0430 0.5377 ( 4300 PWs) bands (ev): -13.5471 -13.5471 -13.5470 -13.5470 -10.1391 -10.1391 -10.1388 -10.1388 -8.8570 -8.8570 -8.8563 -8.8563 -4.1985 -4.1985 -4.1973 -4.1973 -0.7103 -0.7103 -0.7097 -0.7097 0.1058 0.1058 0.1066 0.1066 0.7636 0.7636 0.7646 0.7646 2.2151 2.2151 2.2165 2.2165 2.6925 2.6925 2.6940 2.6940 3.3187 3.3187 3.3191 3.3191 3.9468 3.9468 3.9473 3.9473 5.3613 5.3613 5.3616 5.3616 11.1627 11.1627 11.1632 11.1632 12.1086 12.1086 12.1112 12.1112 13.0298 13.0298 k =-0.0833 0.0516 0.5377 ( 4304 PWs) bands (ev): -13.5444 -13.5444 -13.5443 -13.5443 -10.1483 -10.1483 -10.1479 -10.1479 -8.8570 -8.8570 -8.8562 -8.8562 -4.1795 -4.1795 -4.1781 -4.1781 -0.7294 -0.7294 -0.7286 -0.7286 0.1210 0.1210 0.1220 0.1220 0.7720 0.7720 0.7732 0.7732 2.1814 2.1814 2.1830 2.1830 2.7157 2.7157 2.7173 2.7173 3.3167 3.3167 3.3172 3.3172 3.9342 3.9342 3.9348 3.9348 5.3552 5.3552 5.3555 5.3555 11.1662 11.1662 11.1667 11.1667 12.1270 12.1270 12.1301 12.1301 13.0384 13.0384 k =-0.0972 0.0602 0.5377 ( 4306 PWs) bands (ev): -13.5413 -13.5413 -13.5411 -13.5411 -10.1590 -10.1590 -10.1586 -10.1586 -8.8570 -8.8570 -8.8561 -8.8561 -4.1571 -4.1571 -4.1555 -4.1555 -0.7514 -0.7514 -0.7506 -0.7506 0.1386 0.1386 0.1397 0.1397 0.7818 0.7818 0.7832 0.7832 2.1454 2.1454 2.1470 2.1470 2.7390 2.7390 2.7407 2.7407 3.3147 3.3147 3.3153 3.3153 3.9200 3.9200 3.9208 3.9208 5.3477 5.3477 5.3480 5.3480 11.1706 11.1706 11.1712 11.1712 12.1479 12.1479 12.1516 12.1516 13.0485 13.0485 k =-0.1111 0.0688 0.5377 ( 4304 PWs) bands (ev): -13.5376 -13.5376 -13.5374 -13.5374 -10.1711 -10.1711 -10.1706 -10.1706 -8.8571 -8.8571 -8.8561 -8.8561 -4.1316 -4.1316 -4.1298 -4.1298 -0.7763 -0.7763 -0.7753 -0.7753 0.1586 0.1586 0.1598 0.1598 0.7927 0.7927 0.7943 0.7943 2.1074 2.1074 2.1092 2.1092 2.7617 2.7617 2.7634 2.7634 3.3127 3.3127 3.3134 3.3134 3.9047 3.9047 3.9056 3.9056 5.3387 5.3387 5.3391 5.3391 11.1762 11.1762 11.1767 11.1767 12.1710 12.1710 12.1752 12.1752 13.0600 13.0600 k =-0.1250 0.0774 0.5377 ( 4308 PWs) bands (ev): -13.5336 -13.5336 -13.5334 -13.5334 -10.1844 -10.1844 -10.1838 -10.1838 -8.8572 -8.8572 -8.8561 -8.8561 -4.1029 -4.1029 -4.1009 -4.1009 -0.8037 -0.8037 -0.8027 -0.8027 0.1809 0.1809 0.1821 0.1821 0.8048 0.8048 0.8064 0.8064 2.0679 2.0679 2.0698 2.0698 2.7832 2.7832 2.7850 2.7850 3.3109 3.3109 3.3117 3.3117 3.8886 3.8886 3.8895 3.8895 5.3282 5.3282 5.3286 5.3286 11.1829 11.1829 11.1835 11.1835 12.1958 12.1958 12.2006 12.2006 13.0730 13.0730 k =-0.1389 0.0860 0.5377 ( 4310 PWs) bands (ev): -13.5292 -13.5292 -13.5290 -13.5290 -10.1988 -10.1988 -10.1982 -10.1982 -8.8574 -8.8574 -8.8562 -8.8562 -4.0711 -4.0711 -4.0689 -4.0689 -0.8336 -0.8336 -0.8326 -0.8326 0.2052 0.2052 0.2065 0.2065 0.8178 0.8178 0.8195 0.8195 2.0271 2.0271 2.0291 2.0291 2.8029 2.8029 2.8048 2.8048 3.3095 3.3095 3.3105 3.3105 3.8721 3.8721 3.8731 3.8731 5.3162 5.3162 5.3165 5.3165 11.1908 11.1908 11.1915 11.1915 12.2221 12.2221 12.2273 12.2273 13.0875 13.0875 k =-0.1528 0.0946 0.5377 ( 4306 PWs) bands (ev): -13.5244 -13.5244 -13.5242 -13.5242 -10.2143 -10.2143 -10.2137 -10.2137 -8.8576 -8.8576 -8.8563 -8.8563 -4.0364 -4.0364 -4.0341 -4.0341 -0.8658 -0.8658 -0.8647 -0.8647 0.2315 0.2315 0.2329 0.2329 0.8317 0.8317 0.8335 0.8335 1.9853 1.9853 1.9874 1.9874 2.8203 2.8203 2.8222 2.8222 3.3088 3.3088 3.3099 3.3099 3.8556 3.8556 3.8566 3.8566 5.3025 5.3025 5.3028 5.3028 11.2001 11.2001 11.2007 11.2007 12.2493 12.2493 12.2551 12.2551 13.1035 13.1035 k =-0.1667 0.1032 0.5377 ( 4306 PWs) bands (ev): -13.5193 -13.5193 -13.5190 -13.5190 -10.2306 -10.2306 -10.2300 -10.2300 -8.8579 -8.8579 -8.8566 -8.8566 -3.9990 -3.9990 -3.9964 -3.9964 -0.9001 -0.9001 -0.8990 -0.8990 0.2596 0.2596 0.2610 0.2610 0.8463 0.8463 0.8483 0.8483 1.9427 1.9427 1.9448 1.9448 2.8350 2.8350 2.8369 2.8369 3.3089 3.3089 3.3102 3.3102 3.8394 3.8394 3.8405 3.8405 5.2871 5.2871 5.2875 5.2875 11.2105 11.2105 11.2112 11.2112 12.2772 12.2772 12.2834 12.2834 13.1211 13.1211 k =-0.1806 0.1117 0.5377 ( 4316 PWs) bands (ev): -13.5139 -13.5139 -13.5136 -13.5136 -10.2477 -10.2477 -10.2471 -10.2471 -8.8583 -8.8583 -8.8569 -8.8569 -3.9588 -3.9588 -3.9561 -3.9561 -0.9364 -0.9364 -0.9352 -0.9352 0.2894 0.2894 0.2908 0.2908 0.8616 0.8616 0.8637 0.8637 1.8993 1.8993 1.9016 1.9016 2.8464 2.8464 2.8484 2.8484 3.3100 3.3100 3.3114 3.3114 3.8241 3.8241 3.8252 3.8252 5.2701 5.2701 5.2705 5.2705 11.2222 11.2222 11.2230 11.2230 12.3053 12.3053 12.3120 12.3120 13.1402 13.1402 k =-0.1944 0.1203 0.5377 ( 4312 PWs) bands (ev): -13.5082 -13.5082 -13.5079 -13.5079 -10.2654 -10.2654 -10.2647 -10.2647 -8.8587 -8.8587 -8.8573 -8.8573 -3.9161 -3.9161 -3.9133 -3.9133 -0.9746 -0.9746 -0.9733 -0.9733 0.3206 0.3206 0.3221 0.3221 0.8775 0.8775 0.8797 0.8797 1.8555 1.8555 1.8578 1.8578 2.8543 2.8543 2.8562 2.8562 3.3121 3.3121 3.3137 3.3137 3.8099 3.8099 3.8110 3.8110 5.2516 5.2516 5.2521 5.2521 11.2351 11.2351 11.2358 11.2358 12.3333 12.3333 12.3405 12.3405 13.1611 13.1611 k =-0.2083 0.1289 0.5377 ( 4304 PWs) bands (ev): -13.5023 -13.5023 -13.5020 -13.5020 -10.2836 -10.2836 -10.2829 -10.2829 -8.8592 -8.8592 -8.8579 -8.8579 -3.8710 -3.8710 -3.8681 -3.8681 -1.0144 -1.0144 -1.0132 -1.0132 0.3533 0.3533 0.3548 0.3548 0.8940 0.8940 0.8962 0.8962 1.8114 1.8114 1.8138 1.8138 2.8583 2.8583 2.8603 2.8603 3.3153 3.3153 3.3170 3.3170 3.7974 3.7974 3.7985 3.7985 5.2316 5.2316 5.2321 5.2321 11.2490 11.2490 11.2498 11.2498 12.3610 12.3610 12.3686 12.3686 13.1838 13.1838 k =-0.2222 0.1375 0.5377 ( 4304 PWs) bands (ev): -13.4963 -13.4963 -13.4959 -13.4959 -10.3021 -10.3021 -10.3014 -10.3014 -8.8599 -8.8599 -8.8585 -8.8585 -3.8238 -3.8238 -3.8207 -3.8207 -1.0559 -1.0559 -1.0546 -1.0546 0.3871 0.3871 0.3886 0.3886 0.9109 0.9109 0.9131 0.9131 1.7672 1.7672 1.7697 1.7697 2.8585 2.8585 2.8605 2.8605 3.3192 3.3192 3.3211 3.3211 3.7869 3.7869 3.7879 3.7879 5.2102 5.2102 5.2107 5.2107 11.2638 11.2638 11.2647 11.2647 12.3879 12.3879 12.3960 12.3960 13.2084 13.2084 k =-0.2361 0.1461 0.5377 ( 4306 PWs) bands (ev): -13.4900 -13.4900 -13.4897 -13.4897 -10.3208 -10.3208 -10.3201 -10.3201 -8.8605 -8.8605 -8.8592 -8.8592 -3.7744 -3.7744 -3.7713 -3.7713 -1.0989 -1.0989 -1.0976 -1.0976 0.4219 0.4219 0.4235 0.4235 0.9282 0.9282 0.9305 0.9305 1.7230 1.7230 1.7256 1.7256 2.8549 2.8549 2.8568 2.8568 3.3237 3.3237 3.3258 3.3258 3.7786 3.7786 3.7797 3.7797 5.1875 5.1875 5.1882 5.1882 11.2794 11.2794 11.2804 11.2804 12.4140 12.4140 12.4224 12.4224 13.2348 13.2348 k =-0.2500 0.1547 0.5377 ( 4308 PWs) bands (ev): -13.4837 -13.4837 -13.4834 -13.4834 -10.3395 -10.3395 -10.3389 -10.3389 -8.8613 -8.8613 -8.8599 -8.8599 -3.7233 -3.7233 -3.7201 -3.7201 -1.1433 -1.1433 -1.1419 -1.1419 0.4574 0.4574 0.4590 0.4590 0.9458 0.9458 0.9482 0.9482 1.6791 1.6791 1.6818 1.6818 2.8476 2.8476 2.8495 2.8495 3.3283 3.3283 3.3305 3.3305 3.7731 3.7731 3.7741 3.7741 5.1637 5.1637 5.1645 5.1645 11.2957 11.2957 11.2968 11.2968 12.4389 12.4389 12.4476 12.4476 13.2633 13.2633 k =-0.2639 0.1633 0.5377 ( 4308 PWs) bands (ev): -13.4773 -13.4773 -13.4770 -13.4770 -10.3582 -10.3582 -10.3575 -10.3575 -8.8621 -8.8621 -8.8608 -8.8608 -3.6704 -3.6704 -3.6672 -3.6672 -1.1889 -1.1889 -1.1875 -1.1875 0.4935 0.4935 0.4952 0.4952 0.9638 0.9638 0.9662 0.9662 1.6357 1.6357 1.6384 1.6384 2.8370 2.8370 2.8389 2.8389 3.3326 3.3326 3.3349 3.3349 3.7704 3.7704 3.7714 3.7714 5.1390 5.1390 5.1399 5.1399 11.3125 11.3125 11.3137 11.3137 12.4626 12.4626 12.4715 12.4715 13.2936 13.2936 k =-0.2778 0.1719 0.5377 ( 4300 PWs) bands (ev): -13.4710 -13.4710 -13.4706 -13.4706 -10.3766 -10.3766 -10.3760 -10.3760 -8.8630 -8.8630 -8.8617 -8.8617 -3.6162 -3.6162 -3.6129 -3.6129 -1.2356 -1.2356 -1.2342 -1.2342 0.5299 0.5299 0.5316 0.5316 0.9820 0.9820 0.9845 0.9845 1.5930 1.5930 1.5958 1.5958 2.8234 2.8234 2.8253 2.8253 3.3362 3.3362 3.3386 3.3386 3.7707 3.7707 3.7717 3.7717 5.1135 5.1135 5.1145 5.1145 11.3296 11.3296 11.3309 11.3309 12.4849 12.4849 12.4940 12.4940 13.3258 13.3258 k =-0.2917 0.1805 0.5377 ( 4296 PWs) bands (ev): -13.4646 -13.4646 -13.4643 -13.4643 -10.3947 -10.3947 -10.3941 -10.3941 -8.8639 -8.8639 -8.8626 -8.8626 -3.5607 -3.5607 -3.5574 -3.5574 -1.2834 -1.2834 -1.2819 -1.2819 0.5664 0.5664 0.5681 0.5681 1.0004 1.0004 1.0029 1.0029 1.5512 1.5512 1.5541 1.5541 2.8073 2.8073 2.8091 2.8091 3.3388 3.3388 3.3413 3.3413 3.7740 3.7740 3.7750 3.7750 5.0876 5.0876 5.0887 5.0887 11.3468 11.3468 11.3482 11.3482 12.5059 12.5059 12.5151 12.5151 13.3596 13.3596 k =-0.3056 0.1891 0.5377 ( 4304 PWs) bands (ev): -13.4584 -13.4584 -13.4581 -13.4581 -10.4123 -10.4123 -10.4117 -10.4117 -8.8648 -8.8648 -8.8636 -8.8636 -3.5044 -3.5044 -3.5011 -3.5011 -1.3319 -1.3319 -1.3305 -1.3305 0.6027 0.6027 0.6045 0.6045 1.0188 1.0188 1.0214 1.0214 1.5106 1.5106 1.5136 1.5136 2.7890 2.7890 2.7908 2.7908 3.3402 3.3402 3.3427 3.3427 3.7801 3.7801 3.7811 3.7811 5.0614 5.0614 5.0625 5.0625 11.3640 11.3640 11.3654 11.3654 12.5255 12.5255 12.5347 12.5347 13.3949 13.3949 k =-0.3194 0.1977 0.5377 ( 4308 PWs) bands (ev): -13.4523 -13.4523 -13.4520 -13.4520 -10.4293 -10.4293 -10.4287 -10.4287 -8.8657 -8.8657 -8.8646 -8.8646 -3.4474 -3.4474 -3.4441 -3.4441 -1.3811 -1.3811 -1.3796 -1.3796 0.6386 0.6386 0.6404 0.6404 1.0372 1.0372 1.0399 1.0399 1.4714 1.4714 1.4745 1.4745 2.7690 2.7690 2.7707 2.7707 3.3405 3.3405 3.3430 3.3430 3.7887 3.7887 3.7898 3.7898 5.0351 5.0351 5.0363 5.0363 11.3809 11.3809 11.3825 11.3825 12.5437 12.5437 12.5529 12.5529 13.4311 13.4312 k =-0.3333 0.2063 0.5377 ( 4312 PWs) bands (ev): -13.4465 -13.4465 -13.4462 -13.4462 -10.4455 -10.4455 -10.4450 -10.4450 -8.8667 -8.8667 -8.8656 -8.8656 -3.3901 -3.3901 -3.3868 -3.3868 -1.4307 -1.4307 -1.4292 -1.4292 0.6738 0.6738 0.6756 0.6756 1.0552 1.0552 1.0580 1.0580 1.4340 1.4340 1.4371 1.4371 2.7476 2.7476 2.7493 2.7493 3.3397 3.3397 3.3421 3.3421 3.7995 3.7995 3.8006 3.8006 5.0090 5.0090 5.0103 5.0103 11.3975 11.3975 11.3991 11.3991 12.5608 12.5608 12.5698 12.5698 13.4681 13.4681 k =-0.3472 0.2149 0.5377 ( 4312 PWs) bands (ev): -13.4408 -13.4408 -13.4406 -13.4406 -10.4609 -10.4609 -10.4604 -10.4604 -8.8676 -8.8676 -8.8666 -8.8666 -3.3328 -3.3328 -3.3296 -3.3296 -1.4804 -1.4804 -1.4789 -1.4789 0.7081 0.7081 0.7100 0.7100 1.0726 1.0726 1.0755 1.0755 1.3987 1.3987 1.4020 1.4020 2.7254 2.7254 2.7270 2.7270 3.3379 3.3379 3.3402 3.3402 3.8120 3.8120 3.8131 3.8131 4.9834 4.9834 4.9847 4.9847 11.4135 11.4135 11.4151 11.4151 12.5767 12.5767 12.5854 12.5854 13.5052 13.5052 k =-0.3611 0.2235 0.5377 ( 4308 PWs) bands (ev): -13.4355 -13.4355 -13.4352 -13.4352 -10.4754 -10.4754 -10.4749 -10.4749 -8.8685 -8.8685 -8.8676 -8.8676 -3.2760 -3.2760 -3.2729 -3.2729 -1.5299 -1.5299 -1.5283 -1.5283 0.7413 0.7413 0.7433 0.7433 1.0887 1.0887 1.0918 1.0918 1.3662 1.3662 1.3695 1.3695 2.7028 2.7028 2.7043 2.7043 3.3354 3.3354 3.3376 3.3376 3.8257 3.8257 3.8268 3.8268 4.9586 4.9586 4.9599 4.9599 11.4287 11.4287 11.4303 11.4303 12.5914 12.5914 12.5998 12.5998 13.5419 13.5419 k =-0.3750 0.2321 0.5377 ( 4308 PWs) bands (ev): -13.4305 -13.4305 -13.4303 -13.4303 -10.4888 -10.4888 -10.4883 -10.4883 -8.8694 -8.8694 -8.8685 -8.8685 -3.2203 -3.2203 -3.2173 -3.2173 -1.5788 -1.5788 -1.5772 -1.5772 0.7733 0.7733 0.7753 0.7753 1.1026 1.1026 1.1058 1.1058 1.3371 1.3371 1.3405 1.3405 2.6801 2.6801 2.6816 2.6816 3.3325 3.3325 3.3345 3.3345 3.8400 3.8400 3.8412 3.8412 4.9347 4.9347 4.9360 4.9360 11.4431 11.4431 11.4446 11.4446 12.6051 12.6051 12.6131 12.6131 13.5775 13.5777 k =-0.3889 0.2407 0.5377 ( 4300 PWs) bands (ev): -13.4259 -13.4259 -13.4257 -13.4257 -10.5010 -10.5010 -10.5006 -10.5006 -8.8702 -8.8702 -8.8694 -8.8694 -3.1661 -3.1661 -3.1633 -3.1633 -1.6265 -1.6265 -1.6250 -1.6250 0.8040 0.8040 0.8060 0.8060 1.1129 1.1129 1.1162 1.1162 1.3128 1.3128 1.3162 1.3162 2.6580 2.6580 2.6594 2.6594 3.3292 3.3292 3.3310 3.3310 3.8546 3.8546 3.8557 3.8557 4.9123 4.9123 4.9135 4.9135 11.4564 11.4564 11.4579 11.4579 12.6178 12.6178 12.6252 12.6252 13.6114 13.6114 k =-0.4028 0.2493 0.5377 ( 4310 PWs) bands (ev): -13.4217 -13.4217 -13.4215 -13.4215 -10.5120 -10.5120 -10.5117 -10.5117 -8.8709 -8.8709 -8.8703 -8.8703 -3.1143 -3.1143 -3.1116 -3.1116 -1.6725 -1.6725 -1.6710 -1.6710 0.8334 0.8334 0.8354 0.8354 1.1180 1.1180 1.1212 1.1212 1.2947 1.2947 1.2980 1.2980 2.6368 2.6368 2.6381 2.6381 3.3259 3.3259 3.3275 3.3275 3.8688 3.8688 3.8699 3.8699 4.8914 4.8914 4.8926 4.8926 11.4685 11.4685 11.4699 11.4699 12.6294 12.6294 12.6362 12.6362 13.6427 13.6427 k =-0.4167 0.2579 0.5377 ( 4306 PWs) bands (ev): -13.4180 -13.4180 -13.4179 -13.4179 -10.5217 -10.5217 -10.5214 -10.5214 -8.8716 -8.8716 -8.8710 -8.8710 -3.0656 -3.0656 -3.0631 -3.0631 -1.7158 -1.7158 -1.7144 -1.7144 0.8614 0.8614 0.8635 0.8635 1.1161 1.1161 1.1191 1.1191 1.2840 1.2840 1.2869 1.2869 2.6170 2.6170 2.6182 2.6182 3.3227 3.3227 3.3241 3.3241 3.8823 3.8823 3.8833 3.8833 4.8726 4.8726 4.8736 4.8736 11.4793 11.4793 11.4806 11.4806 12.6399 12.6399 12.6460 12.6460 13.6704 13.6704 k =-0.4306 0.2665 0.5377 ( 4310 PWs) bands (ev): -13.4148 -13.4148 -13.4147 -13.4147 -10.5301 -10.5301 -10.5298 -10.5298 -8.8721 -8.8721 -8.8717 -8.8717 -3.0211 -3.0211 -3.0189 -3.0189 -1.7557 -1.7557 -1.7544 -1.7544 0.8883 0.8883 0.8903 0.8903 1.1072 1.1072 1.1098 1.1098 1.2805 1.2805 1.2828 1.2828 2.5993 2.5993 2.6003 2.6003 3.3197 3.3197 3.3209 3.3209 3.8946 3.8946 3.8954 3.8954 4.8559 4.8559 4.8569 4.8569 11.4887 11.4887 11.4898 11.4898 12.6492 12.6492 12.6544 12.6544 13.6933 13.6933 k =-0.4444 0.2751 0.5377 ( 4322 PWs) bands (ev): -13.4122 -13.4122 -13.4121 -13.4121 -10.5369 -10.5369 -10.5367 -10.5367 -8.8726 -8.8726 -8.8722 -8.8722 -2.9819 -2.9819 -2.9800 -2.9800 -1.7909 -1.7909 -1.7897 -1.7897 0.9140 0.9140 0.9161 0.9161 1.0925 1.0925 1.0948 1.0948 1.2819 1.2819 1.2836 1.2836 2.5839 2.5839 2.5847 2.5847 3.3172 3.3172 3.3181 3.3181 3.9052 3.9052 3.9060 3.9060 4.8419 4.8419 4.8427 4.8427 11.4965 11.4965 11.4974 11.4974 12.6572 12.6572 12.6615 12.6615 13.7099 13.7099 k =-0.4583 0.2837 0.5377 ( 4322 PWs) bands (ev): -13.4101 -13.4101 -13.4100 -13.4100 -10.5423 -10.5423 -10.5422 -10.5422 -8.8730 -8.8730 -8.8727 -8.8727 -2.9493 -2.9493 -2.9478 -2.9478 -1.8202 -1.8202 -1.8193 -1.8193 0.9388 0.9388 0.9409 0.9409 1.0742 1.0742 1.0763 1.0763 1.2857 1.2857 1.2868 1.2868 2.5714 2.5714 2.5721 2.5721 3.3151 3.3151 3.3158 3.3158 3.9140 3.9140 3.9145 3.9145 4.8306 4.8306 4.8312 4.8312 11.5027 11.5027 11.5034 11.5034 12.6637 12.6637 12.6670 12.6670 13.7193 13.7194 k =-0.4722 0.2923 0.5377 ( 4324 PWs) bands (ev): -13.4086 -13.4086 -13.4085 -13.4085 -10.5462 -10.5462 -10.5461 -10.5461 -8.8732 -8.8732 -8.8730 -8.8730 -2.9247 -2.9247 -2.9237 -2.9237 -1.8423 -1.8423 -1.8417 -1.8417 0.9629 0.9629 0.9649 0.9649 1.0537 1.0537 1.0557 1.0557 1.2897 1.2897 1.2904 1.2904 2.5622 2.5622 2.5627 2.5627 3.3136 3.3136 3.3141 3.3141 3.9205 3.9205 3.9209 3.9209 4.8224 4.8224 4.8229 4.8229 11.5072 11.5072 11.5077 11.5077 12.6687 12.6687 12.6709 12.6709 13.7227 13.7252 k =-0.4861 0.3009 0.5377 ( 4316 PWs) bands (ev): -13.4076 -13.4076 -13.4076 -13.4076 -10.5485 -10.5485 -10.5485 -10.5485 -8.8733 -8.8733 -8.8732 -8.8732 -2.9093 -2.9093 -2.9087 -2.9087 -1.8561 -1.8561 -1.8557 -1.8557 0.9862 0.9862 0.9882 0.9882 1.0321 1.0321 1.0341 1.0341 1.2927 1.2927 1.2930 1.2930 2.5566 2.5566 2.5569 2.5569 3.3127 3.3127 3.3130 3.3130 3.9245 3.9245 3.9247 3.9247 4.8175 4.8175 4.8177 4.8177 11.5100 11.5100 11.5102 11.5102 12.6719 12.6719 12.6730 12.6730 13.7233 13.7243 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4073 -13.4073 -13.4073 -13.4073 -10.5493 -10.5493 -10.5493 -10.5493 -8.8734 -8.8734 -8.8734 -8.8734 -2.9038 -2.9038 -2.9038 -2.9038 -1.8606 -1.8606 -1.8606 -1.8606 1.0068 1.0068 1.0068 1.0068 1.0141 1.0141 1.0141 1.0141 1.2939 1.2939 1.2939 1.2939 2.5548 2.5548 2.5548 2.5548 3.3125 3.3125 3.3125 3.3125 3.9259 3.9259 3.9259 3.9259 4.8159 4.8159 4.8159 4.8159 11.5110 11.5110 11.5110 11.5110 12.6734 12.6734 12.6734 12.6734 13.7236 13.7236 Writing output data file Si2N2O.save init_run : 2.74s CPU 13.86s WALL ( 1 calls) electrons : 1234.79s CPU 1244.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.28s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 1234.70s CPU 1244.65s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.09s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.68s WALL ( 1 calls) newd : 0.58s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.18s WALL ( 374 calls) cegterg : 1180.94s CPU 1188.18s WALL ( 1243 calls) Called by sum_band: Called by *egterg: h_psi : 421.86s CPU 435.17s WALL ( 23145 calls) s_psi : 68.08s CPU 68.32s WALL ( 23145 calls) g_psi : 0.88s CPU 1.06s WALL ( 21528 calls) cdiaghg : 533.05s CPU 527.80s WALL ( 21902 calls) cegterg:over : 88.71s CPU 84.85s WALL ( 21528 calls) cegterg:upda : 20.46s CPU 26.56s WALL ( 21528 calls) cegterg:last : 15.71s CPU 16.82s WALL ( 2738 calls) Called by h_psi: h_psi:vloc : 282.41s CPU 292.86s WALL ( 23145 calls) h_psi:vnl : 138.90s CPU 140.95s WALL ( 23145 calls) add_vuspsi : 50.30s CPU 57.70s WALL ( 23145 calls) General routines calbec : 88.51s CPU 83.08s WALL ( 23145 calls) fft : 0.22s CPU 1.05s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 265.46s CPU 271.14s WALL ( 1814024 calls) interpolate : 0.01s CPU 0.05s WALL ( 4 calls) davcio : 0.02s CPU 1.50s WALL ( 748 calls) Parallel routines fft_scatter : 164.03s CPU 169.88s WALL ( 1814047 calls) PWSCF : 21m41.37s CPU 23m10.06s WALL This run was terminated on: 5:54:27 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=