Program PWSCF v.5.1.1 starts on 26Nov2015 at 15: 7:44 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 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 47.6 secs Computing kpt #: 3 total cpu time spent up to now is 50.9 secs Computing kpt #: 4 total cpu time spent up to now is 53.9 secs Computing kpt #: 5 total cpu time spent up to now is 56.6 secs Computing kpt #: 6 total cpu time spent up to now is 59.3 secs Computing kpt #: 7 total cpu time spent up to now is 61.7 secs Computing kpt #: 8 total cpu time spent up to now is 64.0 secs Computing kpt #: 9 total cpu time spent up to now is 66.3 secs Computing kpt #: 10 total cpu time spent up to now is 68.7 secs Computing kpt #: 11 total cpu time spent up to now is 71.0 secs Computing kpt #: 12 total cpu time spent up to now is 73.8 secs Computing kpt #: 13 total cpu time spent up to now is 76.1 secs Computing kpt #: 14 total cpu time spent up to now is 78.3 secs Computing kpt #: 15 total cpu time spent up to now is 80.6 secs Computing kpt #: 16 total cpu time spent up to now is 83.0 secs Computing kpt #: 17 total cpu time spent up to now is 85.6 secs Computing kpt #: 18 total cpu time spent up to now is 88.4 secs Computing kpt #: 19 total cpu time spent up to now is 91.4 secs Computing kpt #: 20 total cpu time spent up to now is 94.4 secs Computing kpt #: 21 total cpu time spent up to now is 97.4 secs Computing kpt #: 22 total cpu time spent up to now is 100.3 secs Computing kpt #: 23 total cpu time spent up to now is 103.4 secs Computing kpt #: 24 total cpu time spent up to now is 106.4 secs Computing kpt #: 25 total cpu time spent up to now is 109.5 secs Computing kpt #: 26 total cpu time spent up to now is 112.5 secs Computing kpt #: 27 total cpu time spent up to now is 115.9 secs Computing kpt #: 28 total cpu time spent up to now is 119.7 secs Computing kpt #: 29 total cpu time spent up to now is 122.7 secs Computing kpt #: 30 total cpu time spent up to now is 125.7 secs Computing kpt #: 31 total cpu time spent up to now is 128.7 secs Computing kpt #: 32 total cpu time spent up to now is 131.6 secs Computing kpt #: 33 total cpu time spent up to now is 134.3 secs Computing kpt #: 34 total cpu time spent up to now is 137.2 secs Computing kpt #: 35 total cpu time spent up to now is 140.2 secs Computing kpt #: 36 total cpu time spent up to now is 142.9 secs Computing kpt #: 37 total cpu time spent up to now is 145.5 secs Computing kpt #: 38 total cpu time spent up to now is 148.1 secs Computing kpt #: 39 total cpu time spent up to now is 150.9 secs Computing kpt #: 40 total cpu time spent up to now is 153.4 secs Computing kpt #: 41 total cpu time spent up to now is 156.4 secs Computing kpt #: 42 total cpu time spent up to now is 159.4 secs Computing kpt #: 43 total cpu time spent up to now is 162.4 secs Computing kpt #: 44 total cpu time spent up to now is 165.4 secs Computing kpt #: 45 total cpu time spent up to now is 168.4 secs Computing kpt #: 46 total cpu time spent up to now is 171.2 secs Computing kpt #: 47 total cpu time spent up to now is 174.4 secs Computing kpt #: 48 total cpu time spent up to now is 177.7 secs Computing kpt #: 49 total cpu time spent up to now is 180.8 secs Computing kpt #: 50 total cpu time spent up to now is 183.8 secs Computing kpt #: 51 total cpu time spent up to now is 187.6 secs Computing kpt #: 52 total cpu time spent up to now is 190.9 secs Computing kpt #: 53 total cpu time spent up to now is 194.7 secs Computing kpt #: 54 total cpu time spent up to now is 198.0 secs Computing kpt #: 55 total cpu time spent up to now is 201.0 secs Computing kpt #: 56 total cpu time spent up to now is 204.1 secs Computing kpt #: 57 total cpu time spent up to now is 207.1 secs Computing kpt #: 58 total cpu time spent up to now is 209.9 secs Computing kpt #: 59 total cpu time spent up to now is 212.5 secs Computing kpt #: 60 total cpu time spent up to now is 215.1 secs Computing kpt #: 61 total cpu time spent up to now is 217.7 secs Computing kpt #: 62 total cpu time spent up to now is 220.2 secs Computing kpt #: 63 total cpu time spent up to now is 222.8 secs Computing kpt #: 64 total cpu time spent up to now is 225.2 secs Computing kpt #: 65 total cpu time spent up to now is 227.8 secs Computing kpt #: 66 total cpu time spent up to now is 230.4 secs Computing kpt #: 67 total cpu time spent up to now is 232.9 secs Computing kpt #: 68 total cpu time spent up to now is 235.6 secs Computing kpt #: 69 total cpu time spent up to now is 238.4 secs Computing kpt #: 70 total cpu time spent up to now is 241.1 secs Computing kpt #: 71 total cpu time spent up to now is 244.0 secs Computing kpt #: 72 total cpu time spent up to now is 246.9 secs Computing kpt #: 73 total cpu time spent up to now is 250.3 secs Computing kpt #: 74 total cpu time spent up to now is 253.4 secs Computing kpt #: 75 total cpu time spent up to now is 256.8 secs Computing kpt #: 76 total cpu time spent up to now is 260.3 secs Computing kpt #: 77 total cpu time spent up to now is 263.8 secs Computing kpt #: 78 total cpu time spent up to now is 267.5 secs Computing kpt #: 79 total cpu time spent up to now is 271.3 secs Computing kpt #: 80 total cpu time spent up to now is 275.2 secs Computing kpt #: 81 total cpu time spent up to now is 280.0 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.7 secs Computing kpt #: 84 total cpu time spent up to now is 295.5 secs Computing kpt #: 85 total cpu time spent up to now is 299.0 secs Computing kpt #: 86 total cpu time spent up to now is 301.9 secs Computing kpt #: 87 total cpu time spent up to now is 304.8 secs Computing kpt #: 88 total cpu time spent up to now is 307.8 secs Computing kpt #: 89 total cpu time spent up to now is 310.5 secs Computing kpt #: 90 total cpu time spent up to now is 313.1 secs Computing kpt #: 91 total cpu time spent up to now is 316.1 secs Computing kpt #: 92 total cpu time spent up to now is 318.6 secs Computing kpt #: 93 total cpu time spent up to now is 321.1 secs Computing kpt #: 94 total cpu time spent up to now is 323.6 secs Computing kpt #: 95 total cpu time spent up to now is 326.3 secs Computing kpt #: 96 total cpu time spent up to now is 329.3 secs Computing kpt #: 97 total cpu time spent up to now is 332.5 secs Computing kpt #: 98 total cpu time spent up to now is 336.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 100 total cpu time spent up to now is 345.7 secs Computing kpt #: 101 total cpu time spent up to now is 349.1 secs Computing kpt #: 102 total cpu time spent up to now is 352.4 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.4 secs Computing kpt #: 104 total cpu time spent up to now is 360.6 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.7 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.7 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.6 secs Computing kpt #: 108 total cpu time spent up to now is 378.8 secs Computing kpt #: 109 total cpu time spent up to now is 382.0 secs Computing kpt #: 110 total cpu time spent up to now is 385.2 secs Computing kpt #: 111 total cpu time spent up to now is 388.4 secs Computing kpt #: 112 total cpu time spent up to now is 391.5 secs Computing kpt #: 113 total cpu time spent up to now is 394.8 secs Computing kpt #: 114 total cpu time spent up to now is 397.9 secs Computing kpt #: 115 total cpu time spent up to now is 401.8 secs Computing kpt #: 116 total cpu time spent up to now is 405.0 secs Computing kpt #: 117 total cpu time spent up to now is 408.2 secs Computing kpt #: 118 total cpu time spent up to now is 413.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.3 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.6 secs Computing kpt #: 121 total cpu time spent up to now is 429.3 secs Computing kpt #: 122 total cpu time spent up to now is 431.9 secs Computing kpt #: 123 total cpu time spent up to now is 435.2 secs Computing kpt #: 124 total cpu time spent up to now is 438.3 secs Computing kpt #: 125 total cpu time spent up to now is 441.4 secs Computing kpt #: 126 total cpu time spent up to now is 444.0 secs Computing kpt #: 127 total cpu time spent up to now is 446.5 secs Computing kpt #: 128 total cpu time spent up to now is 449.0 secs Computing kpt #: 129 total cpu time spent up to now is 452.1 secs Computing kpt #: 130 total cpu time spent up to now is 454.6 secs Computing kpt #: 131 total cpu time spent up to now is 457.6 secs Computing kpt #: 132 total cpu time spent up to now is 460.8 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.6 secs Computing kpt #: 134 total cpu time spent up to now is 470.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 480.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.3 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.2 secs Computing kpt #: 139 total cpu time spent up to now is 494.9 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.9 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.9 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.8 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.6 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.9 secs Computing kpt #: 150 total cpu time spent up to now is 548.3 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 553.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 558.1 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 562.9 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.8 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.6 secs Computing kpt #: 156 total cpu time spent up to now is 577.5 secs Computing kpt #: 157 total cpu time spent up to now is 581.0 secs Computing kpt #: 158 total cpu time spent up to now is 584.9 secs Computing kpt #: 159 total cpu time spent up to now is 588.2 secs Computing kpt #: 160 total cpu time spent up to now is 590.4 secs Computing kpt #: 161 total cpu time spent up to now is 592.6 secs Computing kpt #: 162 total cpu time spent up to now is 595.6 secs Computing kpt #: 163 total cpu time spent up to now is 598.2 secs Computing kpt #: 164 total cpu time spent up to now is 600.9 secs Computing kpt #: 165 total cpu time spent up to now is 603.6 secs Computing kpt #: 166 total cpu time spent up to now is 606.3 secs Computing kpt #: 167 total cpu time spent up to now is 609.1 secs Computing kpt #: 168 total cpu time spent up to now is 612.0 secs Computing kpt #: 169 total cpu time spent up to now is 614.8 secs Computing kpt #: 170 total cpu time spent up to now is 617.7 secs Computing kpt #: 171 total cpu time spent up to now is 620.6 secs Computing kpt #: 172 total cpu time spent up to now is 623.7 secs Computing kpt #: 173 total cpu time spent up to now is 627.1 secs Computing kpt #: 174 total cpu time spent up to now is 629.9 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 634.9 secs Computing kpt #: 176 total cpu time spent up to now is 637.6 secs Computing kpt #: 177 total cpu time spent up to now is 640.3 secs Computing kpt #: 178 total cpu time spent up to now is 642.8 secs Computing kpt #: 179 total cpu time spent up to now is 645.1 secs Computing kpt #: 180 total cpu time spent up to now is 647.7 secs Computing kpt #: 181 total cpu time spent up to now is 650.4 secs Computing kpt #: 182 total cpu time spent up to now is 652.7 secs Computing kpt #: 183 total cpu time spent up to now is 655.1 secs Computing kpt #: 184 total cpu time spent up to now is 657.4 secs Computing kpt #: 185 total cpu time spent up to now is 660.0 secs Computing kpt #: 186 total cpu time spent up to now is 662.9 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.2 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 673.2 secs Computing kpt #: 189 total cpu time spent up to now is 677.4 secs Computing kpt #: 190 total cpu time spent up to now is 681.0 secs Computing kpt #: 191 total cpu time spent up to now is 684.5 secs Computing kpt #: 192 total cpu time spent up to now is 688.0 secs Computing kpt #: 193 total cpu time spent up to now is 691.4 secs Computing kpt #: 194 total cpu time spent up to now is 694.8 secs Computing kpt #: 195 total cpu time spent up to now is 698.2 secs Computing kpt #: 196 total cpu time spent up to now is 701.4 secs Computing kpt #: 197 total cpu time spent up to now is 704.3 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 713.1 secs Computing kpt #: 201 total cpu time spent up to now is 715.8 secs Computing kpt #: 202 total cpu time spent up to now is 719.6 secs Computing kpt #: 203 total cpu time spent up to now is 723.1 secs Computing kpt #: 204 total cpu time spent up to now is 726.0 secs Computing kpt #: 205 total cpu time spent up to now is 728.7 secs Computing kpt #: 206 total cpu time spent up to now is 731.3 secs Computing kpt #: 207 total cpu time spent up to now is 733.9 secs Computing kpt #: 208 total cpu time spent up to now is 736.4 secs Computing kpt #: 209 total cpu time spent up to now is 739.0 secs Computing kpt #: 210 total cpu time spent up to now is 741.4 secs Computing kpt #: 211 total cpu time spent up to now is 743.9 secs Computing kpt #: 212 total cpu time spent up to now is 746.3 secs Computing kpt #: 213 total cpu time spent up to now is 748.7 secs Computing kpt #: 214 total cpu time spent up to now is 751.2 secs Computing kpt #: 215 total cpu time spent up to now is 753.8 secs Computing kpt #: 216 total cpu time spent up to now is 756.4 secs Computing kpt #: 217 total cpu time spent up to now is 759.1 secs Computing kpt #: 218 total cpu time spent up to now is 761.9 secs Computing kpt #: 219 total cpu time spent up to now is 764.5 secs Computing kpt #: 220 total cpu time spent up to now is 767.5 secs Computing kpt #: 221 total cpu time spent up to now is 770.1 secs Computing kpt #: 222 total cpu time spent up to now is 772.8 secs Computing kpt #: 223 total cpu time spent up to now is 775.5 secs Computing kpt #: 224 total cpu time spent up to now is 778.3 secs Computing kpt #: 225 total cpu time spent up to now is 780.9 secs Computing kpt #: 226 total cpu time spent up to now is 783.6 secs Computing kpt #: 227 total cpu time spent up to now is 786.3 secs Computing kpt #: 228 total cpu time spent up to now is 789.0 secs Computing kpt #: 229 total cpu time spent up to now is 792.0 secs Computing kpt #: 230 total cpu time spent up to now is 794.8 secs Computing kpt #: 231 total cpu time spent up to now is 797.7 secs Computing kpt #: 232 total cpu time spent up to now is 800.3 secs Computing kpt #: 233 total cpu time spent up to now is 803.0 secs Computing kpt #: 234 total cpu time spent up to now is 805.9 secs Computing kpt #: 235 total cpu time spent up to now is 808.9 secs Computing kpt #: 236 total cpu time spent up to now is 811.8 secs Computing kpt #: 237 total cpu time spent up to now is 814.6 secs Computing kpt #: 238 total cpu time spent up to now is 817.5 secs Computing kpt #: 239 total cpu time spent up to now is 820.3 secs Computing kpt #: 240 total cpu time spent up to now is 823.3 secs Computing kpt #: 241 total cpu time spent up to now is 826.2 secs Computing kpt #: 242 total cpu time spent up to now is 829.2 secs Computing kpt #: 243 total cpu time spent up to now is 832.1 secs Computing kpt #: 244 total cpu time spent up to now is 835.1 secs Computing kpt #: 245 total cpu time spent up to now is 837.8 secs Computing kpt #: 246 total cpu time spent up to now is 840.7 secs Computing kpt #: 247 total cpu time spent up to now is 843.5 secs Computing kpt #: 248 total cpu time spent up to now is 846.4 secs Computing kpt #: 249 total cpu time spent up to now is 849.5 secs Computing kpt #: 250 total cpu time spent up to now is 852.1 secs Computing kpt #: 251 total cpu time spent up to now is 855.3 secs Computing kpt #: 252 total cpu time spent up to now is 858.3 secs Computing kpt #: 253 total cpu time spent up to now is 861.4 secs Computing kpt #: 254 total cpu time spent up to now is 864.6 secs Computing kpt #: 255 total cpu time spent up to now is 867.1 secs Computing kpt #: 256 total cpu time spent up to now is 869.6 secs Computing kpt #: 257 total cpu time spent up to now is 872.2 secs Computing kpt #: 258 total cpu time spent up to now is 874.8 secs Computing kpt #: 259 total cpu time spent up to now is 877.4 secs Computing kpt #: 260 total cpu time spent up to now is 879.9 secs Computing kpt #: 261 total cpu time spent up to now is 882.4 secs Computing kpt #: 262 total cpu time spent up to now is 884.8 secs Computing kpt #: 263 total cpu time spent up to now is 887.2 secs Computing kpt #: 264 total cpu time spent up to now is 889.5 secs Computing kpt #: 265 total cpu time spent up to now is 891.8 secs Computing kpt #: 266 total cpu time spent up to now is 894.2 secs Computing kpt #: 267 total cpu time spent up to now is 896.5 secs Computing kpt #: 268 total cpu time spent up to now is 898.8 secs Computing kpt #: 269 total cpu time spent up to now is 901.2 secs Computing kpt #: 270 total cpu time spent up to now is 903.6 secs Computing kpt #: 271 total cpu time spent up to now is 905.9 secs Computing kpt #: 272 total cpu time spent up to now is 908.5 secs Computing kpt #: 273 total cpu time spent up to now is 910.9 secs Computing kpt #: 274 total cpu time spent up to now is 913.4 secs Computing kpt #: 275 total cpu time spent up to now is 915.9 secs Computing kpt #: 276 total cpu time spent up to now is 918.3 secs Computing kpt #: 277 total cpu time spent up to now is 920.8 secs Computing kpt #: 278 total cpu time spent up to now is 923.2 secs Computing kpt #: 279 total cpu time spent up to now is 925.7 secs Computing kpt #: 280 total cpu time spent up to now is 928.4 secs Computing kpt #: 281 total cpu time spent up to now is 931.1 secs Computing kpt #: 282 total cpu time spent up to now is 933.9 secs Computing kpt #: 283 total cpu time spent up to now is 937.1 secs Computing kpt #: 284 total cpu time spent up to now is 940.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 945.7 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 950.7 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 955.9 secs Computing kpt #: 288 total cpu time spent up to now is 958.2 secs Computing kpt #: 289 total cpu time spent up to now is 961.8 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 967.0 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 972.2 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 977.5 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.6 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 987.7 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 992.6 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 997.8 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1002.7 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1007.6 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1012.8 secs Computing kpt #: 300 total cpu time spent up to now is 1016.6 secs Computing kpt #: 301 total cpu time spent up to now is 1021.5 secs Computing kpt #: 302 total cpu time spent up to now is 1024.3 secs Computing kpt #: 303 total cpu time spent up to now is 1026.5 secs Computing kpt #: 304 total cpu time spent up to now is 1028.8 secs Computing kpt #: 305 total cpu time spent up to now is 1031.7 secs Computing kpt #: 306 total cpu time spent up to now is 1034.7 secs Computing kpt #: 307 total cpu time spent up to now is 1038.0 secs Computing kpt #: 308 total cpu time spent up to now is 1040.6 secs Computing kpt #: 309 total cpu time spent up to now is 1043.3 secs Computing kpt #: 310 total cpu time spent up to now is 1045.9 secs Computing kpt #: 311 total cpu time spent up to now is 1048.5 secs Computing kpt #: 312 total cpu time spent up to now is 1051.0 secs Computing kpt #: 313 total cpu time spent up to now is 1053.6 secs Computing kpt #: 314 total cpu time spent up to now is 1055.9 secs Computing kpt #: 315 total cpu time spent up to now is 1058.2 secs Computing kpt #: 316 total cpu time spent up to now is 1060.5 secs Computing kpt #: 317 total cpu time spent up to now is 1062.9 secs Computing kpt #: 318 total cpu time spent up to now is 1065.1 secs Computing kpt #: 319 total cpu time spent up to now is 1067.4 secs Computing kpt #: 320 total cpu time spent up to now is 1069.9 secs Computing kpt #: 321 total cpu time spent up to now is 1072.5 secs Computing kpt #: 322 total cpu time spent up to now is 1075.4 secs Computing kpt #: 323 total cpu time spent up to now is 1078.3 secs Computing kpt #: 324 total cpu time spent up to now is 1081.7 secs Computing kpt #: 325 total cpu time spent up to now is 1085.3 secs Computing kpt #: 326 total cpu time spent up to now is 1088.3 secs Computing kpt #: 327 total cpu time spent up to now is 1091.3 secs Computing kpt #: 328 total cpu time spent up to now is 1094.3 secs Computing kpt #: 329 total cpu time spent up to now is 1097.2 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 1106.0 secs Computing kpt #: 333 total cpu time spent up to now is 1108.6 secs Computing kpt #: 334 total cpu time spent up to now is 1111.5 secs Computing kpt #: 335 total cpu time spent up to now is 1114.1 secs Computing kpt #: 336 total cpu time spent up to now is 1117.0 secs Computing kpt #: 337 total cpu time spent up to now is 1119.6 secs Computing kpt #: 338 total cpu time spent up to now is 1121.9 secs Computing kpt #: 339 total cpu time spent up to now is 1125.3 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1130.1 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1135.0 secs Computing kpt #: 342 total cpu time spent up to now is 1139.5 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1144.4 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1149.2 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1154.2 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1159.1 secs Computing kpt #: 347 total cpu time spent up to now is 1162.7 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1167.6 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1172.7 secs Computing kpt #: 350 total cpu time spent up to now is 1177.1 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1182.1 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1187.0 secs Computing kpt #: 353 total cpu time spent up to now is 1190.5 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1195.5 secs Computing kpt #: 355 total cpu time spent up to now is 1199.0 secs Computing kpt #: 356 total cpu time spent up to now is 1202.5 secs Computing kpt #: 357 total cpu time spent up to now is 1205.8 secs Computing kpt #: 358 total cpu time spent up to now is 1208.9 secs Computing kpt #: 359 total cpu time spent up to now is 1212.1 secs Computing kpt #: 360 total cpu time spent up to now is 1215.3 secs Computing kpt #: 361 total cpu time spent up to now is 1218.6 secs Computing kpt #: 362 total cpu time spent up to now is 1221.8 secs Computing kpt #: 363 total cpu time spent up to now is 1225.0 secs Computing kpt #: 364 total cpu time spent up to now is 1228.5 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1233.8 secs Computing kpt #: 366 total cpu time spent up to now is 1238.4 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1243.5 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1248.7 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1254.0 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1259.1 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1264.1 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1269.1 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1274.3 secs Computing kpt #: 374 total cpu time spent up to now is 1276.5 secs ethr = 2.08E-11, avg # of iterations = 57.1 total cpu time spent up to now is 1276.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8841 -13.8841 -13.3823 -13.3823 -10.7136 -10.7136 -9.0018 -9.0018 -8.7104 -8.7104 -8.6978 -8.6978 -3.5544 -3.5544 -3.3579 -3.3579 -2.7302 -2.7302 -0.5067 -0.5067 -0.1301 -0.1301 0.1347 0.1347 0.3063 0.3063 1.2835 1.2835 1.4025 1.4025 2.2215 2.2215 2.5242 2.5242 3.3014 3.3014 3.5699 3.5699 3.8639 3.8639 3.9302 3.9302 4.5643 4.5643 4.7600 4.7600 5.5950 5.5950 10.7822 10.7822 12.0246 12.0246 12.3027 12.3027 12.9527 12.9527 13.7569 13.7569 k = 0.0086 0.0140-0.0000 ( 4309 PWs) bands (ev): -13.8838 -13.8838 -13.3823 -13.3823 -10.7130 -10.7130 -9.0134 -9.0119 -8.7029 -8.7008 -8.6971 -8.6970 -3.5608 -3.5605 -3.3495 -3.3487 -2.7293 -2.7291 -0.5068 -0.5062 -0.1311 -0.1307 0.1356 0.1358 0.3018 0.3029 1.2884 1.2900 1.4012 1.4019 2.2197 2.2206 2.5240 2.5244 3.2990 3.2995 3.5702 3.5702 3.8587 3.8622 3.9284 3.9319 4.5645 4.5646 4.7596 4.7598 5.5938 5.5941 10.7850 10.7850 12.0249 12.0252 12.3043 12.3047 12.9534 12.9539 13.7508 13.7521 k = 0.0173 0.0279-0.0000 ( 4305 PWs) bands (ev): -13.8830 -13.8830 -13.3824 -13.3824 -10.7110 -10.7110 -9.0433 -9.0408 -8.6968 -8.6960 -8.6794 -8.6761 -3.5768 -3.5763 -3.3262 -3.3248 -2.7265 -2.7261 -0.5065 -0.5055 -0.1337 -0.1330 0.1385 0.1388 0.2897 0.2918 1.3043 1.3075 1.3982 1.3994 2.2152 2.2169 2.5239 2.5247 3.2924 3.2935 3.5711 3.5711 3.8473 3.8536 3.9267 3.9329 4.5650 4.5652 4.7586 4.7591 5.5907 5.5914 10.7935 10.7936 12.0262 12.0268 12.3093 12.3102 12.9559 12.9569 13.7347 13.7370 k = 0.0259 0.0419-0.0000 ( 4295 PWs) bands (ev): -13.8816 -13.8816 -13.3826 -13.3826 -10.7078 -10.7078 -9.0852 -9.0822 -8.6947 -8.6937 -8.6482 -8.6438 -3.5975 -3.5970 -3.2928 -3.2911 -2.7218 -2.7211 -0.5062 -0.5046 -0.1380 -0.1369 0.1428 0.1433 0.2719 0.2747 1.3304 1.3349 1.3933 1.3951 2.2080 2.2106 2.5237 2.5250 3.2819 3.2834 3.5726 3.5727 3.8303 3.8384 3.9248 3.9327 4.5660 4.5663 4.7570 4.7578 5.5857 5.5867 10.8076 10.8077 12.0285 12.0294 12.3177 12.3190 12.9602 12.9619 13.7102 13.7132 k = 0.0346 0.0559-0.0000 ( 4299 PWs) bands (ev): -13.8797 -13.8796 -13.3828 -13.3828 -10.7033 -10.7033 -9.1346 -9.1315 -8.6919 -8.6906 -8.6131 -8.6080 -3.6193 -3.6189 -3.2532 -3.2511 -2.7151 -2.7142 -0.5062 -0.5040 -0.1440 -0.1425 0.1477 0.1484 0.2509 0.2542 1.3651 1.3707 1.3867 1.3890 2.1981 2.2014 2.5235 2.5252 3.2677 3.2698 3.5748 3.5749 3.8080 3.8171 3.9221 3.9310 4.5673 4.5677 4.7546 4.7556 5.5790 5.5803 10.8271 10.8273 12.0318 12.0329 12.3292 12.3310 12.9666 12.9687 13.6794 13.6828 k = 0.0432 0.0698-0.0000 ( 4291 PWs) bands (ev): -13.8772 -13.8772 -13.3831 -13.3830 -10.6975 -10.6974 -9.1888 -9.1856 -8.6882 -8.6866 -8.5770 -8.5714 -3.6403 -3.6401 -3.2093 -3.2069 -2.7064 -2.7054 -0.5069 -0.5040 -0.1516 -0.1498 0.1502 0.1513 0.2318 0.2352 1.3777 1.3809 1.4070 1.4139 2.1855 2.1896 2.5231 2.5253 3.2503 3.2529 3.5777 3.5778 3.7807 3.7903 3.9184 3.9278 4.5690 4.5695 4.7512 4.7524 5.5707 5.5723 10.8520 10.8523 12.0358 12.0373 12.3437 12.3460 12.9752 12.9777 13.6443 13.6480 k = 0.0519 0.0838-0.0000 ( 4291 PWs) bands (ev): -13.8742 -13.8742 -13.3834 -13.3834 -10.6904 -10.6903 -9.2462 -9.2431 -8.6837 -8.6819 -8.5415 -8.5354 -3.6595 -3.6594 -3.1623 -3.1597 -2.6958 -2.6946 -0.5090 -0.5054 -0.1610 -0.1588 0.1446 0.1464 0.2224 0.2253 1.3673 1.3710 1.4545 1.4622 2.1702 2.1749 2.5224 2.5252 3.2302 3.2332 3.5813 3.5815 3.7484 3.7582 3.9133 3.9230 4.5712 4.5718 4.7466 4.7479 5.5610 5.5629 10.8820 10.8823 12.0407 12.0425 12.3608 12.3635 12.9860 12.9889 13.6069 13.6107 k = 0.0605 0.0978-0.0000 ( 4295 PWs) bands (ev): -13.8707 -13.8706 -13.3838 -13.3838 -10.6820 -10.6819 -9.3058 -9.3028 -8.6784 -8.6763 -8.5074 -8.5011 -3.6763 -3.6761 -3.1129 -3.1101 -2.6834 -2.6819 -0.5133 -0.5090 -0.1722 -0.1696 0.1284 0.1310 0.2268 0.2293 1.3548 1.3591 1.5064 1.5147 2.1521 2.1575 2.5214 2.5247 3.2079 3.2115 3.5856 3.5859 3.7115 3.7213 3.9069 3.9167 4.5738 4.5745 4.7404 4.7419 5.5501 5.5523 10.9168 10.9172 12.0463 12.0484 12.3802 12.3834 12.9991 13.0023 13.5686 13.5725 k = 0.0692 0.1117-0.0000 ( 4293 PWs) bands (ev): -13.8667 -13.8666 -13.3842 -13.3842 -10.6724 -10.6722 -9.3671 -9.3643 -8.6724 -8.6699 -8.4755 -8.4688 -3.6904 -3.6900 -3.0616 -3.0587 -2.6689 -2.6673 -0.5206 -0.5155 -0.1852 -0.1822 0.1079 0.1105 0.2412 0.2434 1.3405 1.3453 1.5615 1.5704 2.1313 2.1373 2.5198 2.5238 3.1842 3.1883 3.5905 3.5910 3.6702 3.6797 3.8993 3.9090 4.5769 4.5776 4.7324 4.7340 5.5382 5.5408 10.9562 10.9567 12.0525 12.0549 12.4016 12.4053 13.0148 13.0182 13.5305 13.5344 k = 0.0778 0.1257-0.0000 ( 4285 PWs) bands (ev): -13.8622 -13.8621 -13.3847 -13.3847 -10.6614 -10.6612 -9.4296 -9.4269 -8.6656 -8.6628 -8.4461 -8.4391 -3.7014 -3.7008 -3.0089 -3.0059 -2.6526 -2.6508 -0.5317 -0.5259 -0.2001 -0.1967 0.0884 0.0909 0.2615 0.2637 1.3241 1.3295 1.6189 1.6282 2.1078 2.1142 2.5176 2.5224 3.1595 3.1641 3.5951 3.5969 3.6259 3.6340 3.8903 3.9000 4.5804 4.5813 4.7223 4.7240 5.5257 5.5285 10.9999 11.0005 12.0591 12.0619 12.4248 12.4289 13.0329 13.0364 13.4937 13.4975 k = 0.0864 0.1397-0.0000 ( 4285 PWs) bands (ev): -13.8572 -13.8571 -13.3852 -13.3852 -10.6491 -10.6488 -9.4930 -9.4905 -8.6580 -8.6550 -8.4194 -8.4122 -3.7093 -3.7085 -2.9550 -2.9518 -2.6344 -2.6324 -0.5474 -0.5408 -0.2169 -0.2132 0.0729 0.0750 0.2862 0.2885 1.3058 1.3116 1.6777 1.6875 2.0814 2.0883 2.5147 2.5202 3.1345 3.1396 3.5716 3.5827 3.6055 3.6068 3.8801 3.8898 4.5844 4.5854 4.7098 4.7116 5.5125 5.5156 11.0475 11.0483 12.0662 12.0693 12.4496 12.4541 13.0535 13.0570 13.4590 13.4627 k = 0.0951 0.1536-0.0000 ( 4285 PWs) bands (ev): -13.8518 -13.8517 -13.3858 -13.3858 -10.6354 -10.6352 -9.5570 -9.5546 -8.6497 -8.6464 -8.3956 -8.3882 -3.7140 -3.7131 -2.9002 -2.8969 -2.6143 -2.6121 -0.5680 -0.5607 -0.2358 -0.2317 0.0628 0.0646 0.3146 0.3172 1.2853 1.2916 1.7375 1.7475 2.0524 2.0596 2.5110 2.5173 3.1098 3.1153 3.5196 3.5299 3.6131 3.6138 3.8688 3.8784 4.5890 4.5900 4.6948 4.6966 5.4989 5.5023 11.0988 11.0996 12.0735 12.0770 12.4757 12.4807 13.0763 13.0796 13.4272 13.4306 k = 0.1037 0.1676-0.0000 ( 4291 PWs) bands (ev): -13.8459 -13.8458 -13.3865 -13.3864 -10.6205 -10.6203 -9.6214 -9.6192 -8.6407 -8.6371 -8.3748 -8.3672 -3.7156 -3.7144 -2.8447 -2.8413 -2.5924 -2.5900 -0.5934 -0.5855 -0.2568 -0.2523 0.0588 0.0603 0.3467 0.3494 1.2627 1.2695 1.7975 1.8079 2.0206 2.0282 2.5064 2.5136 3.0857 3.0917 3.4636 3.4735 3.6224 3.6229 3.8563 3.8658 4.5941 4.5952 4.6771 4.6789 5.4850 5.4886 11.1532 11.1542 12.0810 12.0848 12.5032 12.5086 13.1008 13.1038 13.3991 13.4022 k = 0.1124 0.1816-0.0000 ( 4279 PWs) bands (ev): -13.8396 -13.8395 -13.3872 -13.3871 -10.6043 -10.6040 -9.6860 -9.6840 -8.6311 -8.6273 -8.3571 -8.3493 -3.7141 -3.7128 -2.7887 -2.7852 -2.5686 -2.5660 -0.6232 -0.6148 -0.2800 -0.2751 0.0609 0.0621 0.3821 0.3851 1.2380 1.2451 1.8574 1.8680 1.9863 1.9941 2.5009 2.5090 3.0627 3.0692 3.4049 3.4146 3.6330 3.6334 3.8427 3.8522 4.5997 4.6009 4.6566 4.6584 5.4708 5.4747 11.2106 11.2118 12.0885 12.0927 12.5318 12.5376 13.1262 13.1285 13.3761 13.3786 k = 0.1210 0.1955-0.0000 ( 4285 PWs) bands (ev): -13.8330 -13.8329 -13.3879 -13.3878 -10.5867 -10.5864 -9.7507 -9.7487 -8.6209 -8.6168 -8.3424 -8.3345 -3.7095 -3.7081 -2.7324 -2.7289 -2.5429 -2.5401 -0.6568 -0.6480 -0.3054 -0.3002 0.0686 0.0696 0.4210 0.4243 1.2109 1.2184 1.9167 1.9276 1.9495 1.9576 2.4945 2.5034 3.0410 3.0479 3.3442 3.3538 3.6450 3.6454 3.8281 3.8375 4.6060 4.6072 4.6333 4.6350 5.4563 5.4604 11.2704 11.2718 12.0959 12.1005 12.5617 12.5679 13.1508 13.1523 13.3597 13.3615 k = 0.1297 0.2095-0.0000 ( 4293 PWs) bands (ev): -13.8260 -13.8259 -13.3886 -13.3886 -10.5678 -10.5675 -9.8152 -9.8134 -8.6101 -8.6057 -8.3308 -8.3227 -3.7022 -3.7007 -2.6760 -2.6725 -2.5154 -2.5125 -0.6932 -0.6841 -0.3331 -0.3275 0.0814 0.0823 0.4632 0.4667 1.1815 1.1894 1.9104 1.9188 1.9752 1.9863 2.4872 2.4969 3.0206 3.0278 3.2823 3.2919 3.6584 3.6588 3.8124 3.8219 4.6071 4.6088 4.6129 4.6143 5.4414 5.4458 11.3324 11.3340 12.1031 12.1081 12.5927 12.5993 13.1723 13.1726 13.3526 13.3533 k = 0.1383 0.2235-0.0000 ( 4279 PWs) bands (ev): -13.8187 -13.8186 -13.3894 -13.3894 -10.5476 -10.5472 -9.8795 -9.8778 -8.5988 -8.5941 -8.3221 -8.3139 -3.6922 -3.6906 -2.6197 -2.6161 -2.4862 -2.4830 -0.7315 -0.7223 -0.3632 -0.3573 0.0985 0.0994 0.5087 0.5125 1.1497 1.1579 1.8695 1.8780 2.0325 2.0437 2.4790 2.4896 3.0013 3.0087 3.2202 3.2298 3.6734 3.6739 3.7959 3.8053 4.5783 4.5800 4.6205 4.6219 5.4261 5.4307 11.3962 11.3979 12.1100 12.1154 12.6247 12.6318 13.1870 13.1879 13.3570 13.3574 k = 0.1469 0.2374-0.0000 ( 4283 PWs) bands (ev): -13.8110 -13.8109 -13.3902 -13.3902 -10.5260 -10.5256 -9.9434 -9.9418 -8.5871 -8.5821 -8.3163 -8.3081 -3.6798 -3.6781 -2.5636 -2.5600 -2.4551 -2.4518 -0.7711 -0.7618 -0.3958 -0.3895 0.1193 0.1202 0.5574 0.5614 1.1153 1.1238 1.8268 1.8356 2.0883 2.0997 2.4701 2.4814 2.9822 2.9897 3.1591 3.1688 3.6900 3.6906 3.7785 3.7879 4.5469 4.5485 4.6288 4.6302 5.4103 5.4151 11.4614 11.4634 12.1166 12.1225 12.6575 12.6650 13.1950 13.1969 13.3734 13.3746 k = 0.1556 0.2514-0.0000 ( 4287 PWs) bands (ev): -13.8032 -13.8030 -13.3911 -13.3910 -10.5031 -10.5027 -10.0068 -10.0053 -8.5749 -8.5697 -8.3133 -8.3050 -3.6653 -3.6635 -2.5078 -2.5043 -2.4224 -2.4188 -0.8111 -0.8017 -0.4307 -0.4241 0.1433 0.1443 0.6091 0.6135 1.0782 1.0870 1.7828 1.7917 2.1425 2.1540 2.4605 2.4726 2.9614 2.9689 3.1016 3.1114 3.7081 3.7089 3.7605 3.7697 4.5130 4.5145 4.6378 4.6392 5.3938 5.3988 11.5278 11.5299 12.1229 12.1291 12.6905 12.6984 13.1996 13.2019 13.4004 13.4020 k = 0.1642 0.2654-0.0000 ( 4287 PWs) bands (ev): -13.7950 -13.7949 -13.3919 -13.3919 -10.4789 -10.4785 -10.0696 -10.0683 -8.5624 -8.5569 -8.3129 -8.3046 -3.6488 -3.6471 -2.4527 -2.4491 -2.3879 -2.3841 -0.8509 -0.8415 -0.4682 -0.4612 0.1700 0.1710 0.6638 0.6685 1.0383 1.0474 1.7378 1.7470 2.1949 2.2065 2.4504 2.4631 2.9349 2.9422 3.0519 3.0621 3.7262 3.7287 3.7436 3.7512 4.4769 4.4783 4.6476 4.6491 5.3766 5.3817 11.5950 11.5974 12.1288 12.1355 12.7230 12.7313 13.2045 13.2069 13.4343 13.4359 k = 0.1729 0.2793-0.0000 ( 4281 PWs) bands (ev): -13.7867 -13.7866 -13.3928 -13.3927 -10.4534 -10.4529 -10.1317 -10.1304 -8.5495 -8.5438 -8.3150 -8.3067 -3.6308 -3.6290 -2.3981 -2.3947 -2.3517 -2.3478 -0.8900 -0.8806 -0.5081 -0.5008 0.1989 0.2001 0.7213 0.7263 0.9956 1.0049 1.6922 1.7016 2.2453 2.2570 2.4399 2.4531 2.8974 2.9047 3.0156 3.0260 3.7193 3.7297 3.7526 3.7529 4.4387 4.4400 4.6581 4.6597 5.3584 5.3637 11.6627 11.6653 12.1343 12.1414 12.7539 12.7627 13.2132 13.2154 13.4726 13.4739 k = 0.1815 0.2933-0.0000 ( 4289 PWs) bands (ev): -13.7782 -13.7781 -13.3936 -13.3936 -10.4266 -10.4260 -10.1930 -10.1918 -8.5365 -8.5305 -8.3195 -8.3111 -3.6115 -3.6097 -2.3444 -2.3410 -2.3139 -2.3098 -0.9278 -0.9186 -0.5504 -0.5428 0.2297 0.2310 0.7814 0.7867 0.9498 0.9593 1.6464 1.6559 2.2936 2.3054 2.4291 2.4427 2.8490 2.8564 2.9930 3.0034 3.6996 3.7098 3.7762 3.7763 4.3986 4.3998 4.6696 4.6712 5.3393 5.3447 11.7308 11.7337 12.1395 12.1471 12.7819 12.7910 13.2282 13.2302 13.5131 13.5141 k = 0.1902 0.3073-0.0000 ( 4293 PWs) bands (ev): -13.7695 -13.7694 -13.3945 -13.3944 -10.3984 -10.3978 -10.2534 -10.2523 -8.5233 -8.5171 -8.3261 -8.3178 -3.5912 -3.5894 -2.2916 -2.2883 -2.2745 -2.2702 -0.9641 -0.9549 -0.5949 -0.5871 0.2621 0.2636 0.8439 0.8495 0.9009 0.9105 1.6007 1.6105 2.3398 2.3517 2.4181 2.4320 2.7948 2.8025 2.9792 2.9894 3.6787 3.6889 3.8020 3.8023 4.3568 4.3579 4.6819 4.6835 5.3191 5.3246 11.7990 11.8022 12.1445 12.1525 12.8059 12.8152 13.2514 13.2533 13.5547 13.5554 k = 0.1988 0.3212-0.0000 ( 4289 PWs) bands (ev): -13.7608 -13.7607 -13.3953 -13.3953 -10.3689 -10.3682 -10.3128 -10.3119 -8.5100 -8.5036 -8.3346 -8.3264 -3.5702 -3.5685 -2.2399 -2.2367 -2.2335 -2.2290 -0.9984 -0.9893 -0.6416 -0.6336 0.2959 0.2975 0.8487 0.8585 0.9086 0.9145 1.5555 1.5655 2.3837 2.3959 2.4072 2.4212 2.7390 2.7468 2.9700 2.9802 3.6572 3.6675 3.8300 3.8304 4.3134 4.3144 4.6951 4.6968 5.2977 5.3034 11.8672 11.8706 12.1493 12.1577 12.8249 12.8342 13.2838 13.2858 13.5965 13.5969 k = 0.2075 0.3352-0.0000 ( 4285 PWs) bands (ev): -13.7520 -13.7518 -13.3961 -13.3961 -10.3712 -10.3704 -10.3381 -10.3374 -8.4968 -8.4901 -8.3450 -8.3368 -3.5489 -3.5473 -2.1914 -2.1890 -2.1874 -2.1853 -1.0304 -1.0214 -0.6904 -0.6821 0.3308 0.3325 0.7933 0.8031 0.9753 0.9814 1.5111 1.5214 2.3952 2.4102 2.4266 2.4381 2.6838 2.6917 2.9635 2.9736 3.6352 3.6456 3.8599 3.8604 4.2688 4.2696 4.7092 4.7110 5.2752 5.2810 11.9352 11.9389 12.1540 12.1629 12.8390 12.8481 13.3256 13.3277 13.6377 13.6377 k = 0.2161 0.3492-0.0000 ( 4277 PWs) bands (ev): -13.7431 -13.7430 -13.3969 -13.3969 -10.4285 -10.4278 -10.3061 -10.3053 -8.4836 -8.4768 -8.3569 -8.3489 -3.5276 -3.5260 -2.1474 -2.1428 -2.1399 -2.1367 -1.0599 -1.0510 -0.7408 -0.7323 0.3665 0.3685 0.7345 0.7444 1.0436 1.0500 1.4678 1.4783 2.3843 2.3992 2.4665 2.4782 2.6302 2.6383 2.9587 2.9687 3.6130 3.6235 3.8918 3.8924 4.2229 4.2237 4.7243 4.7261 5.2515 5.2574 12.0030 12.0069 12.1587 12.1681 12.8484 12.8573 13.3760 13.3783 13.6774 13.6777 k = 0.2247 0.3631-0.0000 ( 4277 PWs) bands (ev): -13.7343 -13.7341 -13.3977 -13.3976 -10.4847 -10.4840 -10.2727 -10.2719 -8.4706 -8.4636 -8.3703 -8.3624 -3.5066 -3.5050 -2.1023 -2.0974 -2.0920 -2.0890 -1.0866 -1.0779 -0.7928 -0.7841 0.4029 0.4050 0.6724 0.6822 1.1133 1.1201 1.4258 1.4364 2.3731 2.3881 2.5047 2.5164 2.5790 2.5872 2.9549 2.9648 3.5905 3.6012 3.9254 3.9262 4.1761 4.1767 4.7404 4.7423 5.2266 5.2325 12.0702 12.0744 12.1636 12.1734 12.8542 12.8627 13.4338 13.4364 13.7154 13.7156 k = 0.2334 0.3771-0.0000 ( 4285 PWs) bands (ev): -13.7255 -13.7253 -13.3984 -13.3984 -10.5396 -10.5389 -10.2381 -10.2372 -8.4580 -8.4508 -8.3849 -8.3771 -3.4861 -3.4846 -2.0559 -2.0509 -2.0456 -2.0428 -1.1103 -1.1017 -0.8459 -0.8371 0.4397 0.4421 0.6070 0.6168 1.1842 1.1912 1.3851 1.3959 2.3617 2.3768 2.5301 2.5379 2.5424 2.5536 2.9516 2.9614 3.5679 3.5788 3.9609 3.9617 4.1285 4.1290 4.7575 4.7594 5.2006 5.2066 12.1368 12.1412 12.1688 12.1790 12.8573 12.8654 13.4974 13.5001 13.7235 13.7339 k = 0.2420 0.3911-0.0000 ( 4281 PWs) bands (ev): -13.7168 -13.7166 -13.3990 -13.3990 -10.5932 -10.5926 -10.2023 -10.2013 -8.4457 -8.4383 -8.4006 -8.3930 -3.4664 -3.4650 -2.0085 -2.0034 -2.0007 -1.9981 -1.1309 -1.1224 -0.8998 -0.8908 0.4768 0.4793 0.5384 0.5481 1.2560 1.2633 1.3460 1.3569 2.3499 2.3649 2.4858 2.4944 2.5763 2.5883 2.9486 2.9583 3.5454 3.5564 3.9980 3.9989 4.0802 4.0805 4.7755 4.7775 5.1735 5.1796 12.1741 12.1848 12.2027 12.2073 12.8586 12.8664 13.5650 13.5679 13.6815 13.6912 k = 0.2507 0.4050-0.0000 ( 4275 PWs) bands (ev): -13.7081 -13.7080 -13.3996 -13.3996 -10.6454 -10.6449 -10.1652 -10.1642 -8.4340 -8.4264 -8.4173 -8.4098 -3.4478 -3.4464 -1.9605 -1.9573 -1.9560 -1.9541 -1.1481 -1.1398 -0.9540 -0.9449 0.4670 0.4765 0.5139 0.5166 1.3083 1.3187 1.3289 1.3358 2.3372 2.3518 2.4458 2.4541 2.6099 2.6219 2.9455 2.9550 3.5231 3.5343 4.0307 4.0313 4.0367 4.0386 4.7946 4.7966 5.1455 5.1515 12.1801 12.1912 12.2672 12.2721 12.8590 12.8665 13.6335 13.6345 13.6376 13.6430 k = 0.2593 0.4190-0.0000 ( 4283 PWs) bands (ev): -13.6996 -13.6995 -13.4002 -13.4001 -10.6963 -10.6959 -10.1270 -10.1259 -8.4346 -8.4273 -8.4228 -8.4151 -3.4304 -3.4291 -1.9167 -1.9141 -1.9108 -1.9057 -1.1620 -1.1539 -1.0080 -0.9988 0.3928 0.4021 0.5507 0.5536 1.2720 1.2830 1.4009 1.4086 2.3226 2.3359 2.4118 2.4190 2.6425 2.6545 2.9420 2.9514 3.5011 3.5126 3.9821 3.9823 4.0767 4.0781 4.8146 4.8166 5.1164 5.1225 12.1866 12.1981 12.3299 12.3351 12.8595 12.8668 13.5815 13.5903 13.7030 13.7053 k = 0.2680 0.4330-0.0000 ( 4287 PWs) bands (ev): -13.6913 -13.6912 -13.4006 -13.4006 -10.7457 -10.7453 -10.0876 -10.0864 -8.4526 -8.4454 -8.4124 -8.4046 -3.4144 -3.4131 -1.8770 -1.8747 -1.8617 -1.8565 -1.1724 -1.1645 -1.0612 -1.0519 0.3161 0.3252 0.5871 0.5901 1.2370 1.2481 1.4734 1.4814 2.3049 2.3155 2.3857 2.3906 2.6741 2.6861 2.9379 2.9470 3.4797 3.4914 3.9327 3.9331 4.1182 4.1196 4.8355 4.8377 5.0866 5.0927 12.1936 12.2056 12.3902 12.3955 12.8612 12.8681 13.5261 13.5345 13.7645 13.7659 k = 0.2766 0.4469-0.0000 ( 4279 PWs) bands (ev): -13.6832 -13.6831 -13.4009 -13.4009 -10.7937 -10.7933 -10.0471 -10.0458 -8.4709 -8.4640 -8.4028 -8.3949 -3.4000 -3.3988 -1.8392 -1.8371 -1.8128 -1.8075 -1.1795 -1.1716 -1.1125 -1.1032 0.2373 0.2462 0.6228 0.6260 1.2031 1.2143 1.5456 1.5537 2.2837 2.2907 2.3676 2.3693 2.7051 2.7171 2.9330 2.9418 3.4590 3.4709 3.8832 3.8839 4.1608 4.1624 4.8574 4.8596 5.0561 5.0621 12.2013 12.2137 12.4466 12.4521 12.8655 12.8720 13.4686 13.4766 13.8108 13.8112 k = 0.2853 0.4609-0.0000 ( 4281 PWs) bands (ev): -13.6753 -13.6752 -13.4012 -13.4012 -10.8401 -10.8398 -10.0056 -10.0042 -8.4896 -8.4829 -8.3942 -8.3862 -3.3872 -3.3860 -1.8034 -1.8015 -1.7649 -1.7597 -1.1835 -1.1754 -1.1606 -1.1516 0.1567 0.1653 0.6575 0.6609 1.1701 1.1814 1.6170 1.6253 2.2598 2.2640 2.3542 2.3550 2.7356 2.7475 2.9269 2.9353 3.4391 3.4513 3.8340 3.8351 4.2045 4.2063 4.8801 4.8824 5.0250 5.0310 12.2097 12.2224 12.4976 12.5031 12.8741 12.8803 13.4099 13.4175 13.8392 13.8392 k = 0.2939 0.4749-0.0000 ( 4277 PWs) bands (ev): -13.6677 -13.6676 -13.4014 -13.4013 -10.8850 -10.8847 -9.9630 -9.9615 -8.5085 -8.5020 -8.3867 -8.3786 -3.3761 -3.3750 -1.7694 -1.7677 -1.7196 -1.7145 -1.2062 -1.1954 -1.1823 -1.1758 0.0746 0.0829 0.6912 0.6947 1.1378 1.1491 1.6875 1.6959 2.2351 2.2374 2.3434 2.3458 2.7658 2.7777 2.9194 2.9275 3.4202 3.4327 3.7852 3.7867 4.2492 4.2511 4.9036 4.9061 4.9934 4.9994 12.2187 12.2318 12.5408 12.5460 12.8896 12.8951 13.3512 13.3584 13.8553 13.8554 k = 0.3025 0.4888-0.0000 ( 4279 PWs) bands (ev): -13.6604 -13.6602 -13.4014 -13.4014 -10.9282 -10.9280 -9.9194 -9.9178 -8.5274 -8.5211 -8.3804 -8.3722 -3.3667 -3.3656 -1.7373 -1.7358 -1.6790 -1.6741 -1.2427 -1.2321 -1.1798 -1.1732 -0.0086 -0.0006 0.7235 0.7271 1.1059 1.1173 1.7567 1.7652 2.2113 2.2123 2.3355 2.3385 2.7959 2.8077 2.9104 2.9180 3.4024 3.4152 3.7369 3.7390 4.2948 4.2969 4.9279 4.9305 4.9616 4.9675 12.2283 12.2416 12.5742 12.5788 12.9142 12.9186 13.2932 13.3000 13.8641 13.8642 k = 0.3112 0.5028-0.0000 ( 4275 PWs) bands (ev): -13.6533 -13.6532 -13.4013 -13.4013 -10.9698 -10.9696 -9.8749 -9.8732 -8.5462 -8.5401 -8.3755 -8.3672 -3.3590 -3.3580 -1.7071 -1.7056 -1.6468 -1.6421 -1.2686 -1.2577 -1.1740 -1.1675 -0.0926 -0.0850 0.7543 0.7580 1.0742 1.0857 1.8242 1.8328 2.1889 2.1893 2.3294 2.3327 2.8260 2.8377 2.8996 2.9066 3.3859 3.3990 3.6896 3.6923 4.3412 4.3434 4.9296 4.9354 4.9528 4.9556 12.2385 12.2520 12.5966 12.6004 12.9487 12.9520 13.2368 13.2431 13.8679 13.8680 k = 0.3198 0.5168-0.0000 ( 4279 PWs) bands (ev): -13.6466 -13.6465 -13.4011 -13.4011 -11.0098 -11.0096 -9.8296 -9.8278 -8.5648 -8.5590 -8.3720 -8.3637 -3.3529 -3.3519 -1.6786 -1.6773 -1.6275 -1.6231 -1.2787 -1.2676 -1.1655 -1.1592 -0.1771 -0.1697 0.7833 0.7872 1.0425 1.0540 1.8898 1.8985 2.1686 2.1686 2.3249 2.3280 2.8563 2.8678 2.8871 2.8934 3.3705 3.3840 3.6435 3.6469 4.3882 4.3906 4.8975 4.9033 4.9783 4.9811 12.2489 12.2626 12.6088 12.6118 12.9923 12.9944 13.1827 13.1886 13.8680 13.8681 k = 0.3285 0.5307-0.0000 ( 4277 PWs) bands (ev): -13.6403 -13.6401 -13.4008 -13.4008 -11.0481 -11.0479 -9.7834 -9.7816 -8.5832 -8.5776 -8.3700 -8.3617 -3.3484 -3.3475 -1.6517 -1.6505 -1.6241 -1.6198 -1.2698 -1.2587 -1.1545 -1.1486 -0.2616 -0.2546 0.8106 0.8145 1.0106 1.0221 1.9533 1.9619 2.1502 2.1504 2.3214 2.3242 2.8725 2.8779 2.8869 2.8981 3.3562 3.3701 3.5988 3.6031 4.4357 4.4383 4.8657 4.8713 5.0042 5.0072 12.2596 12.2732 12.6127 12.6149 13.0430 13.0440 13.1319 13.1372 13.8653 13.8654 k = 0.3371 0.5447-0.0000 ( 4277 PWs) bands (ev): -13.6343 -13.6342 -13.4004 -13.4004 -11.0846 -11.0845 -9.7366 -9.7346 -8.6011 -8.5958 -8.3698 -8.3615 -3.3453 -3.3444 -1.6353 -1.6307 -1.6262 -1.6253 -1.2433 -1.2323 -1.1415 -1.1358 -0.3459 -0.3392 0.8359 0.8398 0.9781 0.9896 2.0143 2.0228 2.1344 2.1346 2.3190 2.3212 2.8561 2.8607 2.9175 2.9286 3.3427 3.3572 3.5560 3.5615 4.4836 4.4863 4.8341 4.8396 5.0305 5.0336 12.2702 12.2837 12.6105 12.6121 13.0840 13.0890 13.0989 13.0994 13.8604 13.8605 k = 0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.6287 -13.6285 -13.3999 -13.3999 -11.1194 -11.1193 -9.6892 -9.6871 -8.6186 -8.6135 -8.3713 -8.3630 -3.3436 -3.3427 -1.6558 -1.6512 -1.6026 -1.6017 -1.2037 -1.1929 -1.1267 -1.1214 -0.4295 -0.4232 0.8592 0.8630 0.9449 0.9565 2.0725 2.0810 2.1210 2.1212 2.3175 2.3190 2.8377 2.8414 2.9484 2.9592 3.3296 3.3448 3.5158 3.5224 4.5317 4.5346 4.8029 4.8083 5.0569 5.0601 12.2803 12.2935 12.6039 12.6051 13.0423 13.0464 13.1565 13.1569 13.8537 13.8538 k = 0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.6287 -13.6285 -13.3999 -13.3999 -11.1194 -11.1193 -9.6892 -9.6871 -8.6186 -8.6135 -8.3713 -8.3630 -3.3436 -3.3427 -1.6558 -1.6512 -1.6026 -1.6017 -1.2037 -1.1929 -1.1267 -1.1214 -0.4295 -0.4232 0.8592 0.8630 0.9449 0.9565 2.0725 2.0810 2.1210 2.1212 2.3175 2.3190 2.8377 2.8414 2.9484 2.9592 3.3296 3.3448 3.5158 3.5224 4.5317 4.5346 4.8029 4.8083 5.0569 5.0601 12.2803 12.2935 12.6039 12.6051 13.0423 13.0464 13.1565 13.1569 13.8537 13.8538 k = 0.3293 0.5587-0.0000 ( 4285 PWs) bands (ev): -13.6318 -13.6316 -13.4003 -13.4003 -11.1005 -11.1003 -9.7147 -9.7126 -8.6094 -8.6042 -8.3702 -8.3619 -3.3441 -3.3432 -1.6831 -1.6803 -1.5796 -1.5783 -1.2254 -1.2145 -1.1326 -1.1271 -0.3838 -0.3774 0.8457 0.8496 0.9641 0.9757 2.0397 2.0482 2.1294 2.1297 2.3180 2.3199 2.8442 2.8490 2.9355 2.9459 3.3364 3.3512 3.5374 3.5435 4.5063 4.5091 4.8191 4.8246 5.0438 5.0469 12.2756 12.2889 12.6063 12.6079 13.0592 13.0637 13.1279 13.1282 13.8486 13.8497 k = 0.3128 0.5587-0.0000 ( 4285 PWs) bands (ev): -13.6353 -13.6352 -13.4008 -13.4008 -11.0795 -11.0794 -9.7408 -9.7388 -8.5998 -8.5944 -8.3694 -8.3611 -3.3443 -3.3433 -1.7384 -1.7363 -1.5401 -1.5384 -1.2429 -1.2319 -1.1338 -1.1282 -0.3351 -0.3285 0.8290 0.8329 0.9861 0.9976 2.0029 2.0114 2.1402 2.1407 2.3179 2.3203 2.8409 2.8479 2.9323 2.9412 3.3429 3.3573 3.5611 3.5667 4.4812 4.4839 4.8346 4.8400 5.0329 5.0358 12.2721 12.2856 12.6051 12.6073 13.0609 13.0649 13.1106 13.1123 13.8441 13.8460 k = 0.2964 0.5587-0.0000 ( 4287 PWs) bands (ev): -13.6392 -13.6391 -13.4015 -13.4015 -11.0567 -11.0566 -9.7676 -9.7657 -8.5900 -8.5845 -8.3689 -8.3606 -3.3440 -3.3430 -1.7998 -1.7981 -1.5060 -1.5041 -1.2561 -1.2451 -1.1291 -1.1233 -0.2842 -0.2775 0.8096 0.8134 1.0107 1.0222 1.9630 1.9716 2.1526 2.1534 2.3165 2.3193 2.8283 2.8375 2.9390 2.9463 3.3487 3.3628 3.5860 3.5913 4.4569 4.4594 4.8483 4.8535 5.0250 5.0277 12.2704 12.2839 12.6007 12.6035 13.0417 13.0447 13.1098 13.1132 13.8458 13.8482 k = 0.2799 0.5587-0.0000 ( 4284 PWs) bands (ev): -13.6433 -13.6432 -13.4024 -13.4023 -11.0321 -11.0319 -9.7951 -9.7933 -8.5799 -8.5743 -8.3688 -8.3605 -3.3431 -3.3420 -1.8643 -1.8628 -1.4810 -1.4790 -1.2649 -1.2543 -1.1167 -1.1110 -0.2316 -0.2248 0.7880 0.7917 1.0378 1.0493 1.9205 1.9291 2.1662 2.1675 2.3133 2.3166 2.8111 2.8217 2.9516 2.9577 3.3539 3.3676 3.6114 3.6165 4.4338 4.4361 4.8591 4.8639 5.0212 5.0234 12.2707 12.2842 12.5938 12.5972 13.0146 13.0173 13.1115 13.1158 13.8547 13.8575 k = 0.2634 0.5587-0.0000 ( 4283 PWs) bands (ev): -13.6476 -13.6475 -13.4033 -13.4033 -11.0058 -11.0056 -9.8233 -9.8215 -8.5697 -8.5639 -8.3690 -8.3607 -3.3414 -3.3402 -1.9304 -1.9292 -1.4664 -1.4641 -1.2704 -1.2605 -1.0955 -1.0899 -0.1781 -0.1713 0.7648 0.7684 1.0671 1.0786 1.8755 1.8842 2.1806 2.1827 2.3076 2.3116 2.7927 2.8041 2.9669 2.9723 3.3580 3.3715 3.6366 3.6416 4.4122 4.4144 4.8661 4.8703 5.0223 5.0238 12.2731 12.2866 12.5850 12.5889 12.9860 12.9889 13.1091 13.1140 13.8710 13.8742 k = 0.2470 0.5587-0.0000 ( 4293 PWs) bands (ev): -13.6521 -13.6519 -13.4044 -13.4044 -10.9780 -10.9778 -9.8522 -9.8504 -8.5593 -8.5534 -8.3695 -8.3613 -3.3387 -3.3375 -1.9973 -1.9963 -1.4608 -1.4585 -1.2738 -1.2650 -1.0654 -1.0600 -0.1243 -0.1175 0.7404 0.7438 1.0987 1.1101 1.8284 1.8372 2.1948 2.1983 2.2994 2.3045 2.7751 2.7868 2.9835 2.9884 3.3611 3.3742 3.6609 3.6659 4.3926 4.3945 4.8690 4.8724 5.0283 5.0290 12.2779 12.2913 12.5750 12.5794 12.9574 12.9605 13.1015 13.1067 13.8942 13.8975 k = 0.2305 0.5587-0.0000 ( 4296 PWs) bands (ev): -13.6565 -13.6564 -13.4057 -13.4056 -10.9488 -10.9486 -9.8817 -9.8800 -8.5489 -8.5429 -8.3704 -8.3621 -3.3348 -3.3336 -2.0642 -2.0634 -1.4620 -1.4597 -1.2766 -1.2690 -1.0280 -1.0229 -0.0709 -0.0642 0.7157 0.7189 1.1322 1.1436 1.7794 1.7883 2.2072 2.2130 2.2894 2.2963 2.7592 2.7709 3.0007 3.0053 3.3630 3.3758 3.6837 3.6888 4.3752 4.3769 4.8684 4.8711 5.0382 5.0386 12.2849 12.2982 12.5645 12.5693 12.9292 12.9326 13.0890 13.0943 13.9229 13.9265 k = 0.2140 0.5587-0.0000 ( 4293 PWs) bands (ev): -13.6609 -13.6608 -13.4070 -13.4069 -10.9183 -10.9181 -9.9118 -9.9103 -8.5384 -8.5323 -8.3716 -8.3633 -3.3297 -3.3284 -2.1306 -2.1300 -1.4674 -1.4652 -1.2795 -1.2729 -0.9854 -0.9805 -0.0185 -0.0120 0.6914 0.6943 1.1675 1.1789 1.7288 1.7377 2.2138 2.2227 2.2812 2.2908 2.7455 2.7569 3.0181 3.0225 3.3635 3.3760 3.7045 3.7097 4.3603 4.3617 4.8653 4.8674 5.0507 5.0515 12.2942 12.3074 12.5543 12.5594 12.9013 12.9050 13.0722 13.0776 13.9555 13.9593 k = 0.1976 0.5587-0.0000 ( 4296 PWs) bands (ev): -13.6653 -13.6651 -13.4083 -13.4083 -10.8867 -10.8865 -9.9426 -9.9411 -8.5280 -8.5217 -8.3731 -8.3649 -3.3233 -3.3219 -2.1960 -2.1955 -1.4753 -1.4731 -1.2825 -1.2768 -0.9396 -0.9349 0.0317 0.0379 0.6688 0.6712 1.2044 1.2158 1.6766 1.6856 2.2088 2.2191 2.2831 2.2934 2.7340 2.7451 3.0356 3.0399 3.3625 3.3746 3.7231 3.7283 4.3480 4.3492 4.8609 4.8625 5.0649 5.0662 12.3056 12.3187 12.5449 12.5503 12.8739 12.8778 13.0522 13.0577 13.9892 13.9932 k = 0.1811 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6695 -13.6693 -13.4097 -13.4096 -10.8543 -10.8540 -9.9738 -9.9724 -8.5177 -8.5113 -8.3749 -8.3668 -3.3154 -3.3141 -2.2599 -2.2595 -1.4844 -1.4823 -1.2856 -1.2807 -0.8920 -0.8875 0.0785 0.0842 0.6492 0.6511 1.2429 1.2541 1.6233 1.6322 2.1915 2.2010 2.2961 2.3047 2.7246 2.7351 3.0530 3.0572 3.3599 3.3716 3.7391 3.7444 4.3383 4.3393 4.8560 4.8573 5.0798 5.0814 12.3190 12.3319 12.5368 12.5425 12.8469 12.8510 13.0298 13.0352 14.0187 14.0231 k = 0.1646 0.5587-0.0000 ( 4303 PWs) bands (ev): -13.6734 -13.6733 -13.4111 -13.4110 -10.8211 -10.8208 -10.0055 -10.0041 -8.5075 -8.5010 -8.3772 -8.3690 -3.3061 -3.3047 -2.3218 -2.3215 -1.4939 -1.4920 -1.2887 -1.2845 -0.8439 -0.8396 0.1202 0.1253 0.6345 0.6357 1.2826 1.2938 1.5688 1.5778 2.1662 2.1749 2.3138 2.3210 2.7170 2.7269 3.0703 3.0745 3.3556 3.3670 3.7526 3.7579 4.3310 4.3319 4.8513 4.8524 5.0948 5.0966 12.3340 12.3467 12.5308 12.5366 12.8205 12.8248 13.0057 13.0111 14.0342 14.0382 k = 0.1482 0.5587-0.0000 ( 4303 PWs) bands (ev): -13.6772 -13.6771 -13.4124 -13.4124 -10.7875 -10.7872 -10.0375 -10.0362 -8.4975 -8.4909 -8.3797 -8.3717 -3.2954 -3.2941 -2.3813 -2.3810 -1.5033 -1.5015 -1.2917 -1.2880 -0.7961 -0.7920 0.1549 0.1590 0.6269 0.6276 1.3234 1.3345 1.5136 1.5224 2.1356 2.1440 2.3333 2.3394 2.7106 2.7199 3.0875 3.0917 3.3497 3.3605 3.7637 3.7689 4.3259 4.3268 4.8471 4.8480 5.1094 5.1112 12.3502 12.3627 12.5271 12.5330 12.7948 12.7991 12.9804 12.9858 14.0287 14.0322 k = 0.1317 0.5587-0.0000 ( 4298 PWs) bands (ev): -13.6807 -13.6806 -13.4137 -13.4137 -10.7537 -10.7533 -10.0695 -10.0683 -8.4877 -8.4810 -8.3827 -8.3747 -3.2835 -3.2821 -2.4379 -2.4376 -1.5123 -1.5106 -1.2944 -1.2913 -0.7495 -0.7455 0.1803 0.1832 0.6281 0.6297 1.3651 1.3761 1.4578 1.4665 2.1015 2.1098 2.3531 2.3585 2.7053 2.7139 3.1045 3.1087 3.3421 3.3524 3.7726 3.7775 4.3227 4.3235 4.8437 4.8445 5.1230 5.1248 12.3671 12.3793 12.5264 12.5323 12.7700 12.7743 12.9543 12.9598 14.0101 14.0134 k = 0.1153 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6838 -13.6837 -13.4149 -13.4149 -10.7200 -10.7196 -10.1015 -10.1003 -8.4783 -8.4715 -8.3860 -8.3781 -3.2704 -3.2691 -2.4911 -2.4907 -1.5205 -1.5191 -1.2969 -1.2942 -0.7047 -0.7011 0.1952 0.1969 0.6401 0.6431 1.3995 1.4090 1.4100 1.4189 2.0648 2.0733 2.3726 2.3774 2.7006 2.7085 3.1214 3.1256 3.3329 3.3426 3.7796 3.7842 4.3209 4.3218 4.8411 4.8418 5.1355 5.1373 12.3840 12.3957 12.5288 12.5347 12.7466 12.7507 12.9279 12.9333 13.9869 13.9900 k = 0.0988 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6866 -13.6865 -13.4160 -13.4160 -10.6869 -10.6865 -10.1329 -10.1318 -8.4691 -8.4622 -8.3897 -8.3819 -3.2566 -3.2553 -2.5402 -2.5398 -1.5279 -1.5266 -1.2991 -1.2968 -0.6627 -0.6593 0.2001 0.2008 0.6629 0.6671 1.3449 1.3537 1.4505 1.4610 2.0265 2.0350 2.3912 2.3955 2.6964 2.7035 3.1381 3.1423 3.3222 3.3313 3.7851 3.7893 4.3202 4.3211 4.8393 4.8399 5.1467 5.1483 12.4002 12.4112 12.5346 12.5402 12.7251 12.7288 12.9013 12.9068 13.9631 13.9659 k = 0.0823 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6890 -13.6890 -13.4170 -13.4170 -10.6549 -10.6545 -10.1633 -10.1624 -8.4603 -8.4533 -8.3939 -8.3861 -3.2425 -3.2414 -2.5846 -2.5841 -1.5343 -1.5332 -1.3009 -1.2991 -0.6242 -0.6212 0.1970 0.1971 0.6948 0.7000 1.2893 1.2977 1.4932 1.5034 1.9871 1.9956 2.4085 2.4123 2.6926 2.6989 3.1546 3.1589 3.3102 3.3187 3.7893 3.7929 4.3202 4.3210 4.8382 4.8387 5.1563 5.1577 12.4152 12.4252 12.5433 12.5485 12.7063 12.7095 12.8749 12.8804 13.9406 13.9430 k = 0.0659 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6910 -13.6910 -13.4178 -13.4178 -10.6249 -10.6245 -10.1919 -10.1911 -8.4519 -8.4448 -8.3984 -8.3907 -3.2289 -3.2279 -2.6232 -2.6228 -1.5396 -1.5388 -1.3024 -1.3009 -0.5903 -0.5878 0.1886 0.1891 0.7331 0.7388 1.2348 1.2428 1.5354 1.5451 1.9476 1.9561 2.4239 2.4271 2.6892 2.6945 3.1710 3.1754 3.2972 3.3050 3.7925 3.7955 4.3206 4.3213 4.8377 4.8381 5.1644 5.1655 12.4285 12.4373 12.5538 12.5583 12.6915 12.6939 12.8493 12.8546 13.9206 13.9227 k = 0.0494 0.5587-0.0000 ( 4302 PWs) bands (ev): -13.6926 -13.6926 -13.4185 -13.4184 -10.5981 -10.5977 -10.2176 -10.2169 -8.4439 -8.4369 -8.4032 -8.3957 -3.2165 -3.2157 -2.6551 -2.6548 -1.5438 -1.5432 -1.3035 -1.3024 -0.5621 -0.5601 0.1786 0.1793 0.7744 0.7803 1.1829 1.1904 1.5759 1.5850 1.9093 1.9174 2.4368 2.4394 2.6863 2.6905 3.1872 3.1918 3.2833 3.2905 3.7949 3.7972 4.3211 4.3217 4.8376 4.8379 5.1707 5.1716 12.4399 12.4470 12.5639 12.5674 12.6821 12.6836 12.8251 12.8301 13.9043 13.9058 k = 0.0329 0.5587-0.0000 ( 4306 PWs) bands (ev): -13.6937 -13.6937 -13.4189 -13.4189 -10.5762 -10.5759 -10.2385 -10.2380 -8.4364 -8.4295 -8.4082 -8.4011 -3.2065 -3.2059 -2.6791 -2.6789 -1.5468 -1.5464 -1.3043 -1.3036 -0.5407 -0.5393 0.1695 0.1701 0.8149 0.8202 1.1365 1.1428 1.6130 1.6206 1.8747 1.8817 2.4467 2.4485 2.6842 2.6871 3.2032 3.2079 3.2690 3.2754 3.7967 3.7983 4.3216 4.3221 4.8376 4.8378 5.1753 5.1759 12.4491 12.4542 12.5712 12.5736 12.6786 12.6802 12.8041 12.8083 13.8921 13.8932 k = 0.0165 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6944 -13.6944 -13.4192 -13.4192 -10.5615 -10.5614 -10.2525 -10.2523 -8.4295 -8.4238 -8.4126 -8.4067 -3.1998 -3.1995 -2.6941 -2.6940 -1.5486 -1.5484 -1.3047 -1.3043 -0.5272 -0.5265 0.1633 0.1636 0.8480 0.8515 1.1017 1.1057 1.6422 1.6470 1.8488 1.8533 2.4531 2.4541 2.6832 2.6846 3.2184 3.2230 3.2551 3.2605 3.7979 3.7987 4.3221 4.3223 4.8378 4.8379 5.1782 5.1785 12.4556 12.4583 12.5750 12.5763 12.6800 12.6814 12.7891 12.7917 13.8847 13.8853 k = 0.0000 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6946 -13.6946 -13.4193 -13.4193 -10.5563 -10.5563 -10.2574 -10.2574 -8.4240 -8.4240 -8.4118 -8.4118 -3.1974 -3.1974 -2.6992 -2.6992 -1.5491 -1.5491 -1.3047 -1.3047 -0.5224 -0.5224 0.1612 0.1612 0.8630 0.8630 1.0893 1.0893 1.6557 1.6557 1.8401 1.8401 2.4556 2.4556 2.6833 2.6833 3.2298 3.2298 3.2489 3.2489 3.7985 3.7985 4.3223 4.3223 4.8378 4.8378 5.1792 5.1792 12.4588 12.4588 12.5765 12.5765 12.6822 12.6822 12.7843 12.7843 13.8824 13.8824 k = 0.0000 0.5587-0.0000 ( 4308 PWs) bands (ev): -13.6946 -13.6946 -13.4193 -13.4193 -10.5563 -10.5563 -10.2574 -10.2574 -8.4240 -8.4240 -8.4118 -8.4118 -3.1974 -3.1974 -2.6992 -2.6992 -1.5491 -1.5491 -1.3047 -1.3047 -0.5224 -0.5224 0.1612 0.1612 0.8630 0.8630 1.0893 1.0893 1.6557 1.6557 1.8401 1.8401 2.4556 2.4556 2.6833 2.6833 3.2298 3.2298 3.2489 3.2489 3.7985 3.7985 4.3223 4.3223 4.8378 4.8378 5.1792 5.1792 12.4588 12.4588 12.5765 12.5765 12.6822 12.6822 12.7843 12.7843 13.8824 13.8824 k = 0.0000 0.5587 0.0163 ( 4314 PWs) bands (ev): -13.6944 -13.6944 -13.4194 -13.4194 -10.5554 -10.5554 -10.2568 -10.2567 -8.4257 -8.4256 -8.4136 -8.4136 -3.1970 -3.1969 -2.6988 -2.6986 -1.5484 -1.5484 -1.3022 -1.3019 -0.5205 -0.5203 0.1612 0.1613 0.8607 0.8607 1.0870 1.0872 1.6553 1.6554 1.8412 1.8412 2.4537 2.4537 2.6841 2.6841 3.2310 3.2311 3.2496 3.2499 3.7979 3.7981 4.3226 4.3228 4.8378 4.8379 5.1789 5.1789 12.4559 12.4561 12.5681 12.5690 12.6890 12.6901 12.7811 12.7813 13.8855 13.8857 k = 0.0000 0.5587 0.0326 ( 4306 PWs) bands (ev): -13.6938 -13.6938 -13.4197 -13.4197 -10.5529 -10.5529 -10.2547 -10.2547 -8.4306 -8.4304 -8.4190 -8.4189 -3.1959 -3.1956 -2.6976 -2.6973 -1.5463 -1.5462 -1.2945 -1.2940 -0.5148 -0.5144 0.1615 0.1616 0.8538 0.8539 1.0803 1.0806 1.6540 1.6542 1.8443 1.8444 2.4481 2.4481 2.6864 2.6865 3.2346 3.2347 3.2521 3.2528 3.7964 3.7967 4.3240 4.3243 4.8378 4.8379 5.1779 5.1779 12.4474 12.4479 12.5484 12.5497 12.7064 12.7082 12.7719 12.7722 13.8945 13.8948 k = 0.0000 0.5587 0.0489 ( 4298 PWs) bands (ev): -13.6928 -13.6928 -13.4202 -13.4202 -10.5487 -10.5486 -10.2513 -10.2512 -8.4388 -8.4384 -8.4279 -8.4278 -3.1939 -3.1935 -2.6955 -2.6951 -1.5428 -1.5427 -1.2818 -1.2810 -0.5053 -0.5047 0.1619 0.1621 0.8427 0.8427 1.0693 1.0698 1.6518 1.6522 1.8493 1.8495 2.4390 2.4390 2.6902 2.6904 3.2404 3.2405 3.2563 3.2574 3.7939 3.7943 4.3262 4.3267 4.8377 4.8379 5.1763 5.1763 12.4335 12.4342 12.5231 12.5245 12.7286 12.7306 12.7578 12.7581 13.9081 13.9085 k = 0.0000 0.5587 0.0652 ( 4302 PWs) bands (ev): -13.6914 -13.6914 -13.4210 -13.4209 -10.5427 -10.5427 -10.2466 -10.2465 -8.4501 -8.4496 -8.4402 -8.4400 -3.1911 -3.1906 -2.6927 -2.6921 -1.5380 -1.5378 -1.2641 -1.2630 -0.4918 -0.4911 0.1623 0.1626 0.8274 0.8275 1.0545 1.0552 1.6488 1.6492 1.8558 1.8561 2.4268 2.4268 2.6954 2.6956 3.2479 3.2481 3.2623 3.2637 3.7904 3.7910 4.3293 4.3300 4.8376 4.8378 5.1741 5.1741 12.4144 12.4153 12.4953 12.4965 12.7383 12.7391 12.7544 12.7560 13.9242 13.9249 k = 0.0000 0.5587 0.0815 ( 4302 PWs) bands (ev): -13.6896 -13.6895 -13.4219 -13.4219 -10.5351 -10.5351 -10.2405 -10.2403 -8.4646 -8.4639 -8.4558 -8.4556 -3.1874 -3.1868 -2.6891 -2.6885 -1.5318 -1.5317 -1.2416 -1.2402 -0.4746 -0.4736 0.1628 0.1632 0.8086 0.8087 1.0362 1.0371 1.6448 1.6454 1.8635 1.8638 2.4120 2.4120 2.7017 2.7019 3.2569 3.2571 3.2699 3.2716 3.7858 3.7866 4.3333 4.3341 4.8374 4.8376 5.1712 5.1712 12.3904 12.3913 12.4661 12.4671 12.7180 12.7186 12.7793 12.7811 13.9407 13.9417 k = 0.0000 0.5587 0.0978 ( 4300 PWs) bands (ev): -13.6874 -13.6873 -13.4230 -13.4230 -10.5258 -10.5258 -10.2330 -10.2328 -8.4823 -8.4815 -8.4745 -8.4742 -3.1829 -3.1821 -2.6850 -2.6843 -1.5244 -1.5242 -1.2146 -1.2130 -0.4535 -0.4523 0.1632 0.1637 0.7867 0.7868 1.0149 1.0159 1.6399 1.6405 1.8718 1.8721 2.3952 2.3952 2.7089 2.7091 3.2667 3.2670 3.2790 3.2811 3.7803 3.7812 4.3379 4.3389 4.8371 4.8374 5.1676 5.1677 12.3622 12.3630 12.4365 12.4373 12.6958 12.6964 12.8052 12.8068 13.9551 13.9565 k = 0.0000 0.5587 0.1141 ( 4300 PWs) bands (ev): -13.6848 -13.6847 -13.4244 -13.4243 -10.5149 -10.5148 -10.2242 -10.2240 -8.5033 -8.5023 -8.4959 -8.4956 -3.1775 -3.1766 -2.6804 -2.6796 -1.5158 -1.5155 -1.1834 -1.1815 -0.4286 -0.4272 0.1634 0.1640 0.7623 0.7625 0.9910 0.9922 1.6340 1.6347 1.8802 1.8805 2.3770 2.3770 2.7167 2.7170 3.2772 3.2774 3.2895 3.2918 3.7738 3.7748 4.3432 4.3444 4.8366 4.8369 5.1634 5.1635 12.3304 12.3312 12.4070 12.4076 12.6732 12.6737 12.8314 12.8328 13.9656 13.9674 k = 0.0000 0.5587 0.1304 ( 4294 PWs) bands (ev): -13.6818 -13.6818 -13.4259 -13.4259 -10.5022 -10.5022 -10.2141 -10.2138 -8.5275 -8.5266 -8.5196 -8.5194 -3.1711 -3.1702 -2.6754 -2.6746 -1.5060 -1.5057 -1.1483 -1.1462 -0.3999 -0.3984 0.1632 0.1639 0.7362 0.7364 0.9650 0.9664 1.6272 1.6280 1.8882 1.8885 2.3581 2.3581 2.7250 2.7252 3.2877 3.2878 3.3013 3.3037 3.7663 3.7675 4.3490 4.3503 4.8359 4.8363 5.1586 5.1587 12.2961 12.2967 12.3783 12.3787 12.6508 12.6512 12.8576 12.8587 13.9711 13.9733 k = 0.0000 0.5587 0.1467 ( 4298 PWs) bands (ev): -13.6785 -13.6784 -13.4277 -13.4277 -10.4879 -10.4879 -10.2026 -10.2023 -8.5551 -8.5543 -8.5454 -8.5454 -3.1639 -3.1628 -2.6703 -2.6694 -1.4952 -1.4947 -1.1098 -1.1074 -0.3676 -0.3659 0.1624 0.1632 0.7090 0.7094 0.9374 0.9389 1.6194 1.6202 1.8951 1.8954 2.3390 2.3391 2.7334 2.7336 3.2977 3.2978 3.3140 3.3164 3.7580 3.7594 4.3551 4.3566 4.8350 4.8354 5.1531 5.1533 12.2603 12.2607 12.3510 12.3511 12.6293 12.6294 12.8836 12.8845 13.9716 13.9740 k = 0.0000 0.5587 0.1629 ( 4294 PWs) bands (ev): -13.6748 -13.6748 -13.4297 -13.4297 -10.4720 -10.4719 -10.1898 -10.1894 -8.5857 -8.5850 -8.5736 -8.5734 -3.1557 -3.1546 -2.6650 -2.6641 -1.4832 -1.4827 -1.0683 -1.0657 -0.3318 -0.3299 0.1606 0.1616 0.6818 0.6823 0.9085 0.9102 1.6106 1.6116 1.9005 1.9007 2.3206 2.3207 2.7416 2.7418 3.3069 3.3072 3.3275 3.3299 3.7491 3.7506 4.3613 4.3629 4.8339 4.8343 5.1470 5.1472 12.2241 12.2243 12.3254 12.3255 12.6088 12.6088 12.9093 12.9098 13.9676 13.9703 k = 0.0000 0.5587 0.1792 ( 4298 PWs) bands (ev): -13.6708 -13.6707 -13.4319 -13.4319 -10.4544 -10.4543 -10.1756 -10.1752 -8.6190 -8.6184 -8.6037 -8.6034 -3.1467 -3.1454 -2.6599 -2.6590 -1.4702 -1.4696 -1.0244 -1.0215 -0.2925 -0.2905 0.1575 0.1586 0.6555 0.6561 0.8787 0.8807 1.6010 1.6020 1.9037 1.9039 2.3034 2.3036 2.7495 2.7496 3.3149 3.3154 3.3412 3.3435 3.7397 3.7414 4.3675 4.3693 4.8325 4.8329 5.1402 5.1404 12.1886 12.1886 12.3022 12.3026 12.5896 12.5898 12.9342 12.9345 13.9603 13.9631 k = 0.0000 0.5587 0.1955 ( 4296 PWs) bands (ev): -13.6665 -13.6664 -13.4343 -13.4343 -10.4352 -10.4351 -10.1601 -10.1597 -8.6548 -8.6543 -8.6358 -8.6353 -3.1366 -3.1353 -2.6550 -2.6541 -1.4561 -1.4554 -0.9786 -0.9755 -0.2501 -0.2480 0.1526 0.1540 0.6310 0.6319 0.8485 0.8507 1.5907 1.5917 1.9041 1.9043 2.2882 2.2884 2.7568 2.7568 3.3216 3.3222 3.3546 3.3569 3.7304 3.7323 4.3734 4.3752 4.8308 4.8313 5.1328 5.1330 12.1545 12.1548 12.2821 12.2827 12.5719 12.5723 12.9580 12.9582 13.9509 13.9537 k = 0.0000 0.5587 0.2118 ( 4300 PWs) bands (ev): -13.6618 -13.6618 -13.4370 -13.4369 -10.4144 -10.4143 -10.1433 -10.1429 -8.6929 -8.6924 -8.6698 -8.6692 -3.1257 -3.1243 -2.6505 -2.6497 -1.4411 -1.4403 -0.9317 -0.9284 -0.2047 -0.2025 0.1456 0.1472 0.6097 0.6107 0.8182 0.8206 1.5795 1.5806 1.9014 1.9015 2.2754 2.2757 2.7633 2.7633 3.3268 3.3275 3.3670 3.3693 3.7217 3.7237 4.3787 4.3807 4.8291 4.8295 5.1247 5.1250 12.1232 12.1236 12.2655 12.2662 12.5561 12.5566 12.9802 12.9806 13.9403 13.9432 k = 0.0000 0.5587 0.2281 ( 4296 PWs) bands (ev): -13.6569 -13.6568 -13.4399 -13.4398 -10.3920 -10.3919 -10.1253 -10.1247 -8.7330 -8.7325 -8.7054 -8.7048 -3.1138 -3.1124 -2.6466 -2.6458 -1.4249 -1.4241 -0.8844 -0.8808 -0.1568 -0.1544 0.1361 0.1380 0.5924 0.5936 0.7881 0.7908 1.5678 1.5689 1.8952 1.8952 2.2655 2.2659 2.7688 2.7689 3.3302 3.3310 3.3774 3.3797 3.7145 3.7166 4.3831 4.3852 4.8272 4.8276 5.1161 5.1164 12.0953 12.0959 12.2528 12.2538 12.5421 12.5428 13.0004 13.0012 13.9294 13.9323 k = 0.0000 0.5587 0.2444 ( 4298 PWs) bands (ev): -13.6517 -13.6516 -13.4430 -13.4429 -10.3681 -10.3679 -10.1059 -10.1054 -8.7749 -8.7744 -8.7426 -8.7418 -3.1011 -3.0996 -2.6433 -2.6426 -1.4078 -1.4068 -0.8375 -0.8338 -0.1067 -0.1042 0.1241 0.1262 0.5801 0.5816 0.7588 0.7617 1.5554 1.5566 1.8852 1.8854 2.2586 2.2591 2.7732 2.7734 3.3318 3.3327 3.3849 3.3871 3.7097 3.7119 4.3864 4.3885 4.8254 4.8258 5.1068 5.1072 12.0716 12.0723 12.2446 12.2457 12.5303 12.5311 13.0183 13.0195 13.9188 13.9217 k = 0.0000 0.5587 0.2607 ( 4302 PWs) bands (ev): -13.6462 -13.6462 -13.4463 -13.4462 -10.3426 -10.3424 -10.0853 -10.0847 -8.8184 -8.8179 -8.7811 -8.7803 -3.0875 -3.0859 -2.6409 -2.6403 -1.3895 -1.3884 -0.7922 -0.7883 -0.0550 -0.0523 0.1097 0.1120 0.5735 0.5752 0.7304 0.7337 1.5425 1.5437 1.8718 1.8720 2.2549 2.2555 2.7764 2.7767 3.3316 3.3325 3.3884 3.3904 3.7085 3.7106 4.3882 4.3904 4.8237 4.8241 5.0970 5.0974 12.0526 12.0535 12.2411 12.2424 12.5208 12.5216 13.0332 13.0348 13.9088 13.9117 k = 0.0000 0.5587 0.2770 ( 4298 PWs) bands (ev): -13.6406 -13.6405 -13.4498 -13.4498 -10.3155 -10.3154 -10.0635 -10.0629 -8.8633 -8.8629 -8.8208 -8.8200 -3.0731 -3.0714 -2.6394 -2.6389 -1.3702 -1.3689 -0.7494 -0.7454 -0.0023 0.0005 0.0937 0.0962 0.5730 0.5748 0.7037 0.7072 1.5292 1.5304 1.8551 1.8554 2.2541 2.2547 2.7781 2.7786 3.3295 3.3304 3.3870 3.3887 3.7115 3.7135 4.3883 4.3905 4.8224 4.8227 5.0866 5.0871 12.0390 12.0399 12.2426 12.2441 12.5136 12.5145 13.0449 13.0468 13.8998 13.9027 k = 0.0000 0.5587 0.2933 ( 4294 PWs) bands (ev): -13.6347 -13.6346 -13.4536 -13.4535 -10.2870 -10.2869 -10.0405 -10.0398 -8.9094 -8.9090 -8.8615 -8.8606 -3.0578 -3.0562 -2.6390 -2.6386 -1.3496 -1.3483 -0.7105 -0.7064 0.0504 0.0533 0.0771 0.0798 0.5786 0.5804 0.6793 0.6831 1.5155 1.5167 1.8355 1.8359 2.2559 2.2566 2.7784 2.7789 3.3256 3.3265 3.3804 3.3817 3.7194 3.7212 4.3863 4.3885 4.8216 4.8219 5.0758 5.0763 12.0310 12.0320 12.2494 12.2511 12.5089 12.5098 13.0526 13.0550 13.8918 13.8947 k = 0.0000 0.5587 0.3096 ( 4298 PWs) bands (ev): -13.6286 -13.6285 -13.4576 -13.4575 -10.2571 -10.2569 -10.0163 -10.0156 -8.9565 -8.9560 -8.9031 -8.9021 -3.0419 -3.0402 -2.6397 -2.6395 -1.3279 -1.3264 -0.6768 -0.6726 0.0606 0.0633 0.1027 0.1056 0.5900 0.5919 0.6580 0.6620 1.5015 1.5027 1.8133 1.8138 2.2600 2.2607 2.7769 2.7776 3.3200 3.3208 3.3688 3.3696 3.7320 3.7336 4.3821 4.3842 4.8214 4.8216 5.0646 5.0652 12.0290 12.0300 12.2615 12.2634 12.5068 12.5077 13.0562 13.0589 13.8847 13.8864 k = 0.0000 0.5587 0.3259 ( 4304 PWs) bands (ev): -13.6223 -13.6222 -13.4618 -13.4617 -10.2257 -10.2256 -9.9910 -9.9903 -9.0043 -9.0039 -8.9453 -8.9443 -3.0253 -3.0236 -2.6417 -2.6416 -1.3049 -1.3033 -0.6497 -0.6455 0.0466 0.0496 0.1517 0.1548 0.6070 0.6089 0.6411 0.6455 1.4872 1.4884 1.7891 1.7896 2.2661 2.2669 2.7736 2.7744 3.3127 3.3134 3.3529 3.3533 3.7487 3.7501 4.3754 4.3775 4.8220 4.8222 5.0530 5.0536 12.0331 12.0341 12.2790 12.2810 12.5073 12.5082 13.0553 13.0583 13.8357 13.8377 k = 0.0000 0.5587 0.3422 ( 4308 PWs) bands (ev): -13.6159 -13.6158 -13.4663 -13.4662 -10.1930 -10.1928 -9.9647 -9.9639 -9.0527 -9.0523 -8.9880 -8.9870 -3.0081 -3.0063 -2.6450 -2.6450 -1.2806 -1.2789 -0.6303 -0.6262 0.0361 0.0392 0.1963 0.1994 0.6280 0.6286 0.6327 0.6360 1.4727 1.4738 1.7631 1.7636 2.2741 2.2749 2.7682 2.7692 3.3039 3.3046 3.3338 3.3339 3.7688 3.7700 4.3663 4.3683 4.8235 4.8236 5.0412 5.0418 12.0436 12.0446 12.3018 12.3040 12.5105 12.5114 13.0497 13.0531 13.7722 13.7744 k = 0.0000 0.5587 0.3585 ( 4306 PWs) bands (ev): -13.6093 -13.6092 -13.4709 -13.4708 -10.1590 -10.1588 -9.9374 -9.9366 -9.1014 -9.1010 -9.0310 -9.0300 -2.9903 -2.9885 -2.6497 -2.6495 -1.2550 -1.2532 -0.6196 -0.6156 0.0301 0.0334 0.2336 0.2366 0.6274 0.6316 0.6567 0.6580 1.4580 1.4591 1.7355 1.7360 2.2838 2.2846 2.7605 2.7616 3.2938 3.2944 3.3123 3.3128 3.7917 3.7927 4.3547 4.3566 4.8259 4.8260 5.0292 5.0298 12.0604 12.0613 12.3297 12.3321 12.5165 12.5172 13.0394 13.0433 13.7043 13.7067 k = 0.0000 0.5587 0.3748 ( 4304 PWs) bands (ev): -13.6026 -13.6025 -13.4758 -13.4757 -10.1237 -10.1235 -9.9093 -9.9085 -9.1502 -9.1498 -9.0742 -9.0732 -2.9720 -2.9703 -2.6558 -2.6555 -1.2281 -1.2262 -0.6179 -0.6140 0.0292 0.0325 0.2613 0.2639 0.6352 0.6393 0.6873 0.6887 1.4432 1.4443 1.7065 1.7070 2.2951 2.2959 2.7503 2.7515 3.2823 3.2828 3.2901 3.2911 3.8167 3.8176 4.3406 4.3424 4.8292 4.8294 5.0170 5.0177 12.0835 12.0843 12.3624 12.3649 12.5251 12.5257 13.0245 13.0288 13.6328 13.6354 k = 0.0000 0.5587 0.3911 ( 4306 PWs) bands (ev): -13.5959 -13.5958 -13.4808 -13.4807 -10.0873 -10.0871 -9.8805 -9.8797 -9.1988 -9.1984 -9.1174 -9.1164 -2.9534 -2.9516 -2.6633 -2.6628 -1.1998 -1.1978 -0.6247 -0.6210 0.0331 0.0366 0.2780 0.2799 0.6542 0.6578 0.7213 0.7225 1.4285 1.4295 1.6762 1.6767 2.3081 2.3089 2.7372 2.7385 3.2664 3.2669 3.2721 3.2726 3.8432 3.8440 4.3242 4.3259 4.8334 4.8337 5.0048 5.0055 12.1126 12.1133 12.3993 12.4020 12.5363 12.5368 13.0054 13.0101 13.5591 13.5618 k = 0.0000 0.5587 0.4074 ( 4314 PWs) bands (ev): -13.5891 -13.5890 -13.4861 -13.4860 -10.0498 -10.0496 -9.8513 -9.8505 -9.2467 -9.2464 -9.1604 -9.1594 -2.9344 -2.9327 -2.6720 -2.6714 -1.1703 -1.1682 -0.6393 -0.6357 0.0415 0.0450 0.2842 0.2853 0.6830 0.6861 0.7577 0.7587 1.4140 1.4150 1.6448 1.6454 2.3227 2.3235 2.7211 2.7225 3.2458 3.2469 3.2591 3.2593 3.8709 3.8716 4.3057 4.3073 4.8385 4.8388 4.9926 4.9933 12.1477 12.1482 12.4396 12.4426 12.5501 12.5504 12.9823 12.9874 13.4849 13.4878 k = 0.0000 0.5587 0.4237 ( 4312 PWs) bands (ev): -13.5822 -13.5821 -13.4916 -13.4915 -10.0114 -10.0112 -9.8221 -9.8212 -9.2937 -9.2933 -9.2030 -9.2019 -2.9153 -2.9135 -2.6821 -2.6814 -1.1394 -1.1372 -0.6603 -0.6568 0.0533 0.0568 0.2820 0.2824 0.7188 0.7213 0.7953 0.7961 1.4001 1.4011 1.6125 1.6130 2.3392 2.3400 2.7020 2.7035 3.2267 3.2281 3.2462 3.2465 3.8994 3.9000 4.2852 4.2867 4.8444 4.8448 4.9805 4.9812 12.1883 12.1886 12.4822 12.4854 12.5663 12.5663 12.9555 12.9609 13.4126 13.4154 k = 0.0000 0.5587 0.4400 ( 4306 PWs) bands (ev): -13.5753 -13.5752 -13.4972 -13.4971 -9.9722 -9.9720 -9.7934 -9.7925 -9.3388 -9.3384 -9.2450 -9.2439 -2.8960 -2.8943 -2.6935 -2.6926 -1.1073 -1.1050 -0.6865 -0.6831 0.0677 0.0712 0.2736 0.2738 0.7583 0.7604 0.8327 0.8333 1.3873 1.3882 1.5793 1.5799 2.3576 2.3584 2.6799 2.6814 3.2102 3.2118 3.2334 3.2339 3.9284 3.9291 4.2630 4.2644 4.8509 4.8514 4.9685 4.9693 12.2340 12.2342 12.5251 12.5286 12.5845 12.5847 12.9253 12.9310 13.3448 13.3475 k = 0.0000 0.5587 0.4563 ( 4298 PWs) bands (ev): -13.5684 -13.5683 -13.5031 -13.5029 -9.9325 -9.9323 -9.7664 -9.7655 -9.3811 -9.3807 -9.2860 -9.2849 -2.8767 -2.8750 -2.7060 -2.7050 -1.0741 -1.0717 -0.7166 -0.7133 0.0839 0.0873 0.2609 0.2617 0.7989 0.8005 0.8683 0.8687 1.3764 1.3773 1.5457 1.5462 2.3780 2.3788 2.6550 2.6565 3.1968 3.1985 3.2211 3.2218 3.9579 3.9585 4.2393 4.2406 4.8582 4.8588 4.9567 4.9575 12.2842 12.2843 12.5656 12.5694 12.6046 12.6052 12.8921 12.8976 13.2855 13.2877 k = 0.0000 0.5587 0.4725 ( 4302 PWs) bands (ev): -13.5615 -13.5614 -13.5091 -13.5089 -9.8926 -9.8924 -9.7427 -9.7419 -9.4186 -9.4181 -9.3257 -9.3246 -2.8575 -2.8558 -2.7196 -2.7185 -1.0397 -1.0373 -0.7495 -0.7464 0.1012 0.1045 0.2458 0.2471 0.8381 0.8394 0.9000 0.9002 1.3686 1.3694 1.5120 1.5126 2.4004 2.4012 2.6278 2.6293 3.1867 3.1884 3.2096 3.2105 3.9875 3.9881 4.2143 4.2155 4.8660 4.8666 4.9452 4.9460 12.3380 12.3384 12.5996 12.6033 12.6265 12.6274 12.8562 12.8611 13.2395 13.2410 k = 0.0000 0.5587 0.4888 ( 4304 PWs) bands (ev): -13.5547 -13.5546 -13.5152 -13.5151 -9.8531 -9.8528 -9.7256 -9.7249 -9.4481 -9.4476 -9.3635 -9.3625 -2.8384 -2.8368 -2.7343 -2.7331 -1.0045 -1.0019 -0.7844 -0.7814 0.1193 0.1224 0.2291 0.2308 0.8739 0.8750 0.9254 0.9254 1.3652 1.3660 1.4790 1.4795 2.4248 2.4257 2.5989 2.6003 3.1799 3.1817 3.1993 3.2003 4.0171 4.0178 4.1881 4.1892 4.8744 4.8751 4.9340 4.9348 12.3945 12.3953 12.6212 12.6243 12.6496 12.6511 12.8190 12.8224 13.2125 13.2130 k = 0.0000 0.5587 0.5051 ( 4310 PWs) bands (ev): -13.5479 -13.5478 -13.5215 -13.5214 -9.8148 -9.8144 -9.7194 -9.7187 -9.4653 -9.4647 -9.3986 -9.3976 -2.8197 -2.8181 -2.7499 -2.7486 -0.9684 -0.9658 -0.8206 -0.8176 0.1377 0.1407 0.2115 0.2136 0.9047 0.9056 0.9420 0.9422 1.3680 1.3688 1.4476 1.4482 2.4510 2.4521 2.5688 2.5702 3.1765 3.1782 3.1904 3.1916 4.0466 4.0474 4.1611 4.1621 4.8833 4.8840 4.9231 4.9239 12.4524 12.4535 12.6238 12.6254 12.6736 12.6757 12.7835 12.7846 13.2084 13.2089 k = 0.0000 0.5587 0.5214 ( 4306 PWs) bands (ev): -13.5411 -13.5410 -13.5279 -13.5278 -9.7791 -9.7787 -9.7274 -9.7268 -9.4668 -9.4661 -9.4294 -9.4285 -2.8014 -2.7998 -2.7664 -2.7650 -0.9317 -0.9290 -0.8575 -0.8546 0.1563 0.1591 0.1934 0.1957 0.9285 0.9292 0.9482 0.9486 1.3781 1.3788 1.4192 1.4198 2.4790 2.4801 2.5384 2.5397 3.1761 3.1777 3.1834 3.1847 4.0759 4.0767 4.1333 4.1342 4.8926 4.8934 4.9126 4.9133 12.5094 12.5107 12.6031 12.6033 12.6982 12.7007 12.7515 12.7527 13.2285 13.2297 k = 0.0000 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.5345 -13.5345 -13.5344 -13.5344 -9.7487 -9.7487 -9.7482 -9.7482 -9.4535 -9.4535 -9.4526 -9.4526 -2.7836 -2.7836 -2.7821 -2.7821 -0.8946 -0.8946 -0.8919 -0.8919 0.1749 0.1749 0.1775 0.1775 0.9435 0.9435 0.9441 0.9441 1.3955 1.3955 1.3962 1.3962 2.5083 2.5083 2.5095 2.5095 3.1785 3.1785 3.1800 3.1800 4.1048 4.1048 4.1057 4.1057 4.9024 4.9024 4.9032 4.9032 12.5617 12.5617 12.5629 12.5629 12.7236 12.7236 12.7260 12.7260 13.2701 13.2701 k = 0.0000 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.5345 -13.5345 -13.5344 -13.5344 -9.7487 -9.7487 -9.7482 -9.7482 -9.4535 -9.4535 -9.4526 -9.4526 -2.7836 -2.7836 -2.7821 -2.7821 -0.8946 -0.8946 -0.8919 -0.8919 0.1749 0.1749 0.1775 0.1775 0.9435 0.9435 0.9441 0.9441 1.3955 1.3955 1.3962 1.3962 2.5083 2.5083 2.5095 2.5095 3.1785 3.1785 3.1800 3.1800 4.1048 4.1048 4.1057 4.1057 4.9024 4.9024 4.9032 4.9032 12.5617 12.5617 12.5629 12.5629 12.7236 12.7236 12.7260 12.7260 13.2701 13.2701 k = 0.0165 0.5587 0.5377 ( 4308 PWs) bands (ev): -13.5344 -13.5344 -13.5342 -13.5342 -9.7511 -9.7511 -9.7506 -9.7506 -9.4514 -9.4514 -9.4504 -9.4504 -2.7818 -2.7818 -2.7803 -2.7803 -0.8986 -0.8986 -0.8959 -0.8959 0.1775 0.1775 0.1801 0.1801 0.9421 0.9421 0.9433 0.9433 1.3966 1.3966 1.3982 1.3982 2.5070 2.5070 2.5084 2.5084 3.1795 3.1795 3.1811 3.1811 4.1055 4.1055 4.1064 4.1064 4.9005 4.9005 4.9013 4.9013 12.5613 12.5613 12.5628 12.5628 12.7239 12.7239 12.7265 12.7265 13.2695 13.2701 k = 0.0329 0.5587 0.5377 ( 4312 PWs) bands (ev): -13.5340 -13.5340 -13.5338 -13.5338 -9.7583 -9.7583 -9.7575 -9.7575 -9.4451 -9.4451 -9.4440 -9.4440 -2.7764 -2.7764 -2.7749 -2.7749 -0.9105 -0.9105 -0.9078 -0.9078 0.1852 0.1852 0.1878 0.1878 0.9385 0.9385 0.9407 0.9407 1.4007 1.4007 1.4036 1.4036 2.5032 2.5032 2.5051 2.5051 3.1824 3.1824 3.1843 3.1843 4.1075 4.1075 4.1084 4.1084 4.8949 4.8949 4.8958 4.8958 12.5604 12.5604 12.5625 12.5625 12.7249 12.7249 12.7281 12.7281 13.2667 13.2667 k = 0.0494 0.5587 0.5377 ( 4304 PWs) bands (ev): -13.5333 -13.5333 -13.5332 -13.5332 -9.7695 -9.7695 -9.7685 -9.7685 -9.4353 -9.4353 -9.4341 -9.4341 -2.7674 -2.7674 -2.7659 -2.7659 -0.9299 -0.9299 -0.9272 -0.9272 0.1975 0.1975 0.2003 0.2003 0.9330 0.9330 0.9361 0.9361 1.4078 1.4078 1.4120 1.4120 2.4972 2.4972 2.4996 2.4996 3.1872 3.1872 3.1895 3.1895 4.1108 4.1108 4.1118 4.1118 4.8857 4.8857 4.8867 4.8867 12.5590 12.5590 12.5618 12.5618 12.7267 12.7267 12.7307 12.7307 13.2626 13.2626 k = 0.0659 0.5587 0.5377 ( 4296 PWs) bands (ev): -13.5324 -13.5324 -13.5323 -13.5323 -9.7840 -9.7840 -9.7828 -9.7828 -9.4227 -9.4227 -9.4213 -9.4213 -2.7550 -2.7550 -2.7534 -2.7534 -0.9562 -0.9562 -0.9536 -0.9536 0.2140 0.2140 0.2169 0.2169 0.9260 0.9260 0.9298 0.9298 1.4177 1.4177 1.4230 1.4230 2.4892 2.4892 2.4922 2.4922 3.1937 3.1937 3.1963 3.1963 4.1155 4.1155 4.1165 4.1165 4.8730 4.8730 4.8741 4.8741 12.5572 12.5572 12.5606 12.5606 12.7294 12.7294 12.7342 12.7342 13.2570 13.2570 k = 0.0823 0.5587 0.5377 ( 4296 PWs) bands (ev): -13.5312 -13.5312 -13.5311 -13.5311 -9.8011 -9.8011 -9.7998 -9.7998 -9.4078 -9.4078 -9.4063 -9.4063 -2.7390 -2.7390 -2.7374 -2.7374 -0.9888 -0.9888 -0.9863 -0.9863 0.2340 0.2340 0.2371 0.2371 0.9176 0.9176 0.9221 0.9221 1.4301 1.4301 1.4364 1.4364 2.4794 2.4794 2.4829 2.4829 3.2016 3.2016 3.2046 3.2046 4.1215 4.1215 4.1227 4.1227 4.8569 4.8569 4.8583 4.8583 12.5548 12.5548 12.5589 12.5589 12.7332 12.7332 12.7388 12.7388 13.2500 13.2500 k = 0.0988 0.5587 0.5377 ( 4290 PWs) bands (ev): -13.5299 -13.5299 -13.5297 -13.5297 -9.8201 -9.8201 -9.8187 -9.8187 -9.3914 -9.3914 -9.3898 -9.3898 -2.7197 -2.7197 -2.7181 -2.7181 -1.0270 -1.0270 -1.0245 -1.0245 0.2568 0.2568 0.2600 0.2600 0.9082 0.9082 0.9132 0.9132 1.4445 1.4445 1.4518 1.4518 2.4681 2.4681 2.4720 2.4720 3.2106 3.2106 3.2139 3.2139 4.1289 4.1289 4.1302 4.1302 4.8378 4.8378 4.8393 4.8393 12.5519 12.5519 12.5564 12.5564 12.7381 12.7381 12.7444 12.7444 13.2418 13.2418 k = 0.1153 0.5587 0.5377 ( 4294 PWs) bands (ev): -13.5283 -13.5283 -13.5282 -13.5282 -9.8405 -9.8405 -9.8390 -9.8390 -9.3738 -9.3738 -9.3722 -9.3722 -2.6971 -2.6971 -2.6954 -2.6954 -1.0700 -1.0700 -1.0676 -1.0676 0.2818 0.2818 0.2851 0.2851 0.8980 0.8980 0.9035 0.9035 1.4608 1.4608 1.4688 1.4688 2.4555 2.4555 2.4599 2.4599 3.2204 3.2204 3.2239 3.2239 4.1376 4.1376 4.1390 4.1390 4.8158 4.8158 4.8175 4.8175 12.5484 12.5484 12.5532 12.5532 12.7441 12.7441 12.7511 12.7511 13.2325 13.2325 k = 0.1317 0.5587 0.5377 ( 4286 PWs) bands (ev): -13.5265 -13.5265 -13.5264 -13.5264 -9.8619 -9.8619 -9.8603 -9.8603 -9.3556 -9.3556 -9.3539 -9.3539 -2.6714 -2.6714 -2.6696 -2.6696 -1.1172 -1.1172 -1.1150 -1.1150 0.3083 0.3083 0.3118 0.3118 0.8875 0.8875 0.8933 0.8933 1.4784 1.4784 1.4871 1.4871 2.4421 2.4421 2.4468 2.4468 3.2306 3.2306 3.2343 3.2343 4.1477 4.1477 4.1492 4.1492 4.7913 4.7913 4.7931 4.7931 12.5440 12.5440 12.5491 12.5491 12.7512 12.7512 12.7589 12.7589 13.2225 13.2225 k = 0.1482 0.5587 0.5377 ( 4278 PWs) bands (ev): -13.5246 -13.5246 -13.5245 -13.5245 -9.8839 -9.8839 -9.8823 -9.8823 -9.3368 -9.3368 -9.3351 -9.3351 -2.6426 -2.6426 -2.6407 -2.6407 -1.1681 -1.1681 -1.1659 -1.1659 0.3358 0.3358 0.3394 0.3394 0.8768 0.8768 0.8828 0.8828 1.4971 1.4971 1.5064 1.5064 2.4280 2.4280 2.4330 2.4330 3.2409 3.2409 3.2447 3.2447 4.1591 4.1591 4.1607 4.1607 4.7647 4.7647 4.7667 4.7667 12.5389 12.5389 12.5440 12.5440 12.7596 12.7596 12.7678 12.7678 13.2120 13.2120 k = 0.1646 0.5587 0.5377 ( 4280 PWs) bands (ev): -13.5225 -13.5225 -13.5224 -13.5224 -9.9063 -9.9063 -9.9047 -9.9047 -9.3178 -9.3178 -9.3160 -9.3160 -2.6109 -2.6109 -2.6090 -2.6090 -1.2222 -1.2222 -1.2200 -1.2200 0.3638 0.3638 0.3676 0.3676 0.8661 0.8661 0.8723 0.8723 1.5166 1.5166 1.5264 1.5264 2.4135 2.4135 2.4188 2.4188 3.2510 3.2510 3.2549 3.2549 4.1717 4.1717 4.1734 4.1734 4.7364 4.7364 4.7385 4.7385 12.5327 12.5327 12.5379 12.5379 12.7689 12.7689 12.7777 12.7777 13.2012 13.2012 k = 0.1811 0.5587 0.5377 ( 4286 PWs) bands (ev): -13.5203 -13.5203 -13.5202 -13.5202 -9.9289 -9.9289 -9.9273 -9.9273 -9.2986 -9.2986 -9.2968 -9.2968 -2.5765 -2.5765 -2.5745 -2.5745 -1.2788 -1.2788 -1.2767 -1.2767 0.3919 0.3919 0.3959 0.3959 0.8555 0.8555 0.8619 0.8619 1.5366 1.5366 1.5467 1.5467 2.3989 2.3989 2.4044 2.4044 3.2607 3.2607 3.2645 3.2645 4.1854 4.1854 4.1871 4.1871 4.7068 4.7068 4.7090 4.7090 12.5253 12.5253 12.5305 12.5305 12.7793 12.7793 12.7886 12.7886 13.1905 13.1905 k = 0.1976 0.5587 0.5377 ( 4278 PWs) bands (ev): -13.5181 -13.5181 -13.5179 -13.5179 -9.9514 -9.9514 -9.9498 -9.9498 -9.2794 -9.2794 -9.2776 -9.2776 -2.5395 -2.5395 -2.5376 -2.5376 -1.3378 -1.3378 -1.3357 -1.3357 0.4199 0.4199 0.4241 0.4241 0.8454 0.8454 0.8518 0.8518 1.5566 1.5566 1.5671 1.5671 2.3845 2.3845 2.3901 2.3901 3.2696 3.2696 3.2734 3.2734 4.1999 4.1999 4.2017 4.2017 4.6766 4.6766 4.6789 4.6789 12.5167 12.5167 12.5219 12.5219 12.7904 12.7904 12.8002 12.8002 13.1804 13.1804 k = 0.2140 0.5587 0.5377 ( 4280 PWs) bands (ev): -13.5157 -13.5157 -13.5156 -13.5156 -9.9737 -9.9737 -9.9721 -9.9721 -9.2603 -9.2603 -9.2585 -9.2585 -2.5003 -2.5003 -2.4983 -2.4983 -1.3987 -1.3987 -1.3966 -1.3966 0.4474 0.4474 0.4517 0.4517 0.8358 0.8358 0.8422 0.8422 1.5765 1.5765 1.5873 1.5873 2.3706 2.3706 2.3762 2.3762 3.2777 3.2777 3.2814 3.2814 4.2149 4.2149 4.2168 4.2168 4.6464 4.6464 4.6488 4.6488 12.5067 12.5067 12.5118 12.5118 12.8020 12.8020 12.8123 12.8123 13.1712 13.1712 k = 0.2305 0.5587 0.5377 ( 4290 PWs) bands (ev): -13.5134 -13.5134 -13.5133 -13.5133 -9.9957 -9.9957 -9.9941 -9.9941 -9.2413 -9.2413 -9.2395 -9.2395 -2.4590 -2.4590 -2.4569 -2.4569 -1.4610 -1.4610 -1.4590 -1.4590 0.4742 0.4742 0.4786 0.4786 0.8268 0.8268 0.8332 0.8332 1.5958 1.5958 1.6068 1.6068 2.3574 2.3574 2.3631 2.3631 3.2847 3.2847 3.2883 3.2883 4.2299 4.2299 4.2318 4.2318 4.6172 4.6172 4.6196 4.6196 12.4950 12.4950 12.5001 12.5001 12.8137 12.8137 12.8244 12.8244 13.1636 13.1636 k = 0.2470 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.5111 -13.5111 -13.5110 -13.5110 -10.0171 -10.0171 -10.0155 -10.0155 -9.2224 -9.2224 -9.2207 -9.2207 -2.4159 -2.4159 -2.4139 -2.4139 -1.5246 -1.5246 -1.5226 -1.5226 0.5000 0.5000 0.5046 0.5046 0.8187 0.8187 0.8249 0.8249 1.6140 1.6140 1.6252 1.6252 2.3453 2.3453 2.3510 2.3510 3.2905 3.2905 3.2940 3.2940 4.2440 4.2440 4.2460 4.2460 4.5899 4.5899 4.5923 4.5923 12.4818 12.4818 12.4868 12.4868 12.8250 12.8250 12.8362 12.8362 13.1580 13.1580 k = 0.2634 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.5088 -13.5088 -13.5087 -13.5087 -10.0379 -10.0379 -10.0364 -10.0364 -9.2038 -9.2038 -9.2021 -9.2021 -2.3715 -2.3715 -2.3695 -2.3695 -1.5889 -1.5889 -1.5869 -1.5869 0.5247 0.5247 0.5293 0.5293 0.8116 0.8116 0.8177 0.8177 1.6309 1.6309 1.6423 1.6423 2.3347 2.3347 2.3404 2.3404 3.2951 3.2951 3.2984 3.2984 4.2561 4.2561 4.2581 4.2581 4.5662 4.5662 4.5684 4.5684 12.4667 12.4667 12.4716 12.4716 12.8356 12.8356 12.8471 12.8471 13.1552 13.1552 k = 0.2799 0.5587 0.5377 ( 4288 PWs) bands (ev): -13.5066 -13.5066 -13.5065 -13.5065 -10.0580 -10.0580 -10.0565 -10.0565 -9.1854 -9.1854 -9.1837 -9.1837 -2.3262 -2.3262 -2.3243 -2.3243 -1.6534 -1.6534 -1.6515 -1.6515 0.5479 0.5479 0.5527 0.5527 0.8057 0.8057 0.8116 0.8116 1.6459 1.6459 1.6574 1.6574 2.3259 2.3259 2.3315 2.3315 3.2984 3.2984 3.3016 3.3016 4.2646 4.2646 4.2667 4.2667 4.5477 4.5477 4.5497 4.5497 12.4498 12.4498 12.4546 12.4546 12.8447 12.8447 12.8564 12.8564 13.1556 13.1556 k = 0.2964 0.5587 0.5377 ( 4294 PWs) bands (ev): -13.5045 -13.5045 -13.5044 -13.5044 -10.0773 -10.0773 -10.0758 -10.0758 -9.1672 -9.1672 -9.1655 -9.1655 -2.2809 -2.2809 -2.2791 -2.2791 -1.7174 -1.7174 -1.7156 -1.7156 0.5694 0.5694 0.5743 0.5743 0.8012 0.8012 0.8069 0.8069 1.6585 1.6585 1.6700 1.6700 2.3195 2.3195 2.3250 2.3250 3.3005 3.3005 3.3036 3.3036 4.2678 4.2678 4.2699 4.2699 4.5365 4.5365 4.5382 4.5382 12.4310 12.4310 12.4358 12.4358 12.8521 12.8521 12.8638 12.8638 13.1598 13.1598 k = 0.3128 0.5587 0.5377 ( 4302 PWs) bands (ev): -13.5026 -13.5026 -13.5025 -13.5025 -10.0956 -10.0956 -10.0942 -10.0942 -9.1493 -9.1493 -9.1476 -9.1476 -2.2369 -2.2369 -2.2354 -2.2354 -1.7794 -1.7794 -1.7778 -1.7778 0.5889 0.5889 0.5938 0.5938 0.7986 0.7986 0.8041 0.8041 1.6681 1.6681 1.6797 1.6797 2.3158 2.3158 2.3213 2.3213 3.3014 3.3014 3.3043 3.3043 4.2645 4.2645 4.2666 4.2666 4.5338 4.5338 4.5351 4.5351 12.4102 12.4102 12.4150 12.4150 12.8573 12.8573 12.8689 12.8689 13.1678 13.1678 k = 0.3293 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.5009 -13.5009 -13.5008 -13.5008 -10.1129 -10.1129 -10.1115 -10.1115 -9.1316 -9.1316 -9.1299 -9.1299 -2.1970 -2.1970 -2.1960 -2.1960 -1.8366 -1.8366 -1.8356 -1.8356 0.6058 0.6058 0.6108 0.6108 0.7983 0.7983 0.8036 0.8036 1.6743 1.6743 1.6859 1.6859 2.3154 2.3154 2.3208 2.3208 3.3011 3.3011 3.3040 3.3040 4.2545 4.2545 4.2566 4.2566 4.5399 4.5399 4.5409 4.5409 12.3876 12.3876 12.3924 12.3924 12.8602 12.8602 12.8717 12.8717 13.1796 13.1796 k = 0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4994 -13.4994 -13.4993 -13.4993 -10.1291 -10.1291 -10.1277 -10.1277 -9.1142 -9.1142 -9.1125 -9.1125 -2.1672 -2.1672 -2.1671 -2.1671 -1.8832 -1.8832 -1.8827 -1.8827 0.6196 0.6196 0.6246 0.6246 0.8008 0.8008 0.8059 0.8059 1.6767 1.6767 1.6882 1.6882 2.3186 2.3186 2.3238 2.3238 3.2999 3.2999 3.3026 3.3026 4.2391 4.2391 4.2413 4.2413 4.5534 4.5534 4.5543 4.5543 12.3632 12.3632 12.3679 12.3679 12.8610 12.8610 12.8722 12.8722 13.1946 13.1947 k = 0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4994 -13.4994 -13.4993 -13.4993 -10.1291 -10.1291 -10.1277 -10.1277 -9.1142 -9.1142 -9.1125 -9.1125 -2.1672 -2.1672 -2.1671 -2.1671 -1.8832 -1.8832 -1.8827 -1.8827 0.6196 0.6196 0.6246 0.6246 0.8008 0.8008 0.8059 0.8059 1.6767 1.6767 1.6882 1.6882 2.3186 2.3186 2.3238 2.3238 3.2999 3.2999 3.3026 3.3026 4.2391 4.2391 4.2413 4.2413 4.5534 4.5534 4.5543 4.5543 12.3632 12.3632 12.3679 12.3679 12.8610 12.8610 12.8722 12.8722 13.1946 13.1946 k = 0.3371 0.5447 0.5377 ( 4298 PWs) bands (ev): -13.5021 -13.5021 -13.5020 -13.5020 -10.0988 -10.0988 -10.0973 -10.0973 -9.1472 -9.1472 -9.1455 -9.1455 -2.2076 -2.2076 -2.2075 -2.2075 -1.8099 -1.8099 -1.8095 -1.8095 0.5956 0.5956 0.6005 0.6005 0.7930 0.7930 0.7984 0.7984 1.6767 1.6767 1.6883 1.6883 2.3093 2.3093 2.3147 2.3147 3.3030 3.3030 3.3059 3.3059 4.2729 4.2729 4.2750 4.2750 4.5221 4.5221 4.5230 4.5230 12.4099 12.4099 12.4146 12.4146 12.8604 12.8604 12.8721 12.8721 13.1652 13.1652 k = 0.3285 0.5307 0.5377 ( 4290 PWs) bands (ev): -13.5049 -13.5049 -13.5048 -13.5048 -10.0670 -10.0670 -10.0655 -10.0655 -9.1807 -9.1807 -9.1789 -9.1789 -2.2500 -2.2500 -2.2500 -2.2500 -1.7350 -1.7350 -1.7346 -1.7346 0.5694 0.5694 0.5742 0.5742 0.7852 0.7852 0.7909 0.7909 1.6780 1.6780 1.6896 1.6896 2.3007 2.3007 2.3063 2.3063 3.3057 3.3057 3.3088 3.3088 4.3080 4.3080 4.3100 4.3100 4.4916 4.4916 4.4925 4.4925 12.4530 12.4530 12.4576 12.4576 12.8573 12.8573 12.8694 12.8694 13.1405 13.1405 k = 0.3198 0.5168 0.5377 ( 4290 PWs) bands (ev): -13.5078 -13.5078 -13.5077 -13.5077 -10.0339 -10.0339 -10.0323 -10.0323 -9.2144 -9.2144 -9.2127 -9.2127 -2.2944 -2.2944 -2.2943 -2.2943 -1.6586 -1.6586 -1.6584 -1.6584 0.5412 0.5412 0.5457 0.5457 0.7775 0.7775 0.7835 0.7835 1.6807 1.6807 1.6922 1.6922 2.2930 2.2930 2.2988 2.2988 3.3080 3.3080 3.3113 3.3113 4.3442 4.3442 4.3461 4.3461 4.4621 4.4621 4.4629 4.4629 12.4902 12.4902 12.4946 12.4946 12.8511 12.8511 12.8636 12.8636 13.1227 13.1227 k = 0.3112 0.5028 0.5377 ( 4294 PWs) bands (ev): -13.5108 -13.5108 -13.5107 -13.5107 -9.9995 -9.9995 -9.9978 -9.9978 -9.2484 -9.2484 -9.2466 -9.2466 -2.3406 -2.3406 -2.3406 -2.3406 -1.5812 -1.5812 -1.5811 -1.5811 0.5109 0.5109 0.5152 0.5152 0.7698 0.7698 0.7762 0.7762 1.6847 1.6847 1.6960 1.6960 2.2864 2.2864 2.2924 2.2924 3.3100 3.3100 3.3135 3.3135 4.3814 4.3814 4.3832 4.3832 4.4338 4.4338 4.4345 4.4345 12.5190 12.5190 12.5230 12.5230 12.8412 12.8412 12.8540 12.8540 13.1142 13.1142 k = 0.3025 0.4888 0.5377 ( 4286 PWs) bands (ev): -13.5139 -13.5139 -13.5138 -13.5138 -9.9637 -9.9637 -9.9621 -9.9621 -9.2823 -9.2823 -9.2806 -9.2806 -2.3887 -2.3887 -2.3887 -2.3887 -1.5031 -1.5031 -1.5031 -1.5031 0.4787 0.4787 0.4828 0.4828 0.7623 0.7623 0.7690 0.7690 1.6901 1.6901 1.7012 1.7012 2.2809 2.2809 2.2871 2.2871 3.3117 3.3117 3.3154 3.3154 4.4062 4.4062 4.4072 4.4072 4.4197 4.4197 4.4218 4.4218 12.5372 12.5372 12.5407 12.5407 12.8272 12.8272 12.8402 12.8402 13.1172 13.1172 k = 0.2939 0.4749 0.5377 ( 4284 PWs) bands (ev): -13.5171 -13.5171 -13.5170 -13.5170 -9.9268 -9.9268 -9.9251 -9.9251 -9.3163 -9.3163 -9.3145 -9.3145 -2.4386 -2.4386 -2.4385 -2.4385 -1.4247 -1.4247 -1.4245 -1.4245 0.4447 0.4447 0.4485 0.4485 0.7549 0.7549 0.7619 0.7619 1.6968 1.6968 1.7077 1.7077 2.2767 2.2767 2.2831 2.2831 3.3131 3.3131 3.3171 3.3171 4.3808 4.3808 4.3816 4.3816 4.4585 4.4585 4.4603 4.4603 12.5438 12.5438 12.5466 12.5466 12.8086 12.8086 12.8218 12.8218 13.1328 13.1328 k = 0.2853 0.4609 0.5377 ( 4290 PWs) bands (ev): -13.5205 -13.5205 -13.5203 -13.5203 -9.8887 -9.8887 -9.8869 -9.8869 -9.3500 -9.3500 -9.3483 -9.3483 -2.4902 -2.4902 -2.4900 -2.4900 -1.3462 -1.3462 -1.3458 -1.3458 0.4092 0.4092 0.4126 0.4126 0.7477 0.7477 0.7550 0.7550 1.7049 1.7049 1.7155 1.7155 2.2739 2.2739 2.2804 2.2804 3.3142 3.3142 3.3184 3.3184 4.3565 4.3565 4.3573 4.3573 4.4981 4.4981 4.4998 4.4998 12.5391 12.5391 12.5414 12.5414 12.7853 12.7853 12.7986 12.7986 13.1603 13.1603 k = 0.2766 0.4469 0.5377 ( 4296 PWs) bands (ev): -13.5238 -13.5238 -13.5237 -13.5237 -9.8495 -9.8495 -9.8476 -9.8476 -9.3835 -9.3835 -9.3818 -9.3818 -2.5434 -2.5434 -2.5432 -2.5432 -1.2678 -1.2678 -1.2672 -1.2672 0.3722 0.3722 0.3754 0.3754 0.7407 0.7407 0.7483 0.7483 1.7143 1.7143 1.7246 1.7246 2.2726 2.2726 2.2793 2.2793 3.3151 3.3151 3.3196 3.3196 4.3337 4.3337 4.3344 4.3344 4.5382 4.5382 4.5398 4.5398 12.5251 12.5251 12.5269 12.5269 12.7573 12.7573 12.7705 12.7705 13.1975 13.1975 k = 0.2680 0.4330 0.5377 ( 4300 PWs) bands (ev): -13.5273 -13.5273 -13.5272 -13.5272 -9.8092 -9.8092 -9.8073 -9.8073 -9.4167 -9.4167 -9.4149 -9.4149 -2.5981 -2.5981 -2.5979 -2.5979 -1.1900 -1.1900 -1.1891 -1.1891 0.3339 0.3339 0.3368 0.3368 0.7339 0.7339 0.7418 0.7418 1.7249 1.7249 1.7349 1.7349 2.2728 2.2728 2.2798 2.2798 3.3159 3.3159 3.3207 3.3207 4.3125 4.3125 4.3131 4.3131 4.5787 4.5787 4.5802 4.5802 12.5041 12.5041 12.5055 12.5055 12.7246 12.7246 12.7377 12.7377 13.2418 13.2418 k = 0.2593 0.4190 0.5377 ( 4300 PWs) bands (ev): -13.5308 -13.5308 -13.5307 -13.5307 -9.7680 -9.7680 -9.7661 -9.7661 -9.4494 -9.4494 -9.4476 -9.4476 -2.6543 -2.6543 -2.6540 -2.6540 -1.1129 -1.1129 -1.1118 -1.1118 0.2947 0.2947 0.2973 0.2973 0.7274 0.7274 0.7356 0.7356 1.7367 1.7367 1.7463 1.7463 2.2747 2.2747 2.2819 2.2819 3.3167 3.3167 3.3217 3.3217 4.2927 4.2927 4.2933 4.2933 4.6195 4.6195 4.6208 4.6208 12.4784 12.4784 12.4795 12.4795 12.6875 12.6875 12.7004 12.7004 13.2905 13.2905 k = 0.2507 0.4050 0.5377 ( 4296 PWs) bands (ev): -13.5344 -13.5344 -13.5343 -13.5343 -9.7259 -9.7259 -9.7240 -9.7240 -9.4815 -9.4815 -9.4798 -9.4798 -2.7118 -2.7118 -2.7114 -2.7114 -1.0370 -1.0370 -1.0356 -1.0356 0.2547 0.2547 0.2571 0.2571 0.7211 0.7211 0.7296 0.7296 1.7495 1.7495 1.7588 1.7588 2.2783 2.2783 2.2856 2.2856 3.3175 3.3175 3.3228 3.3228 4.2745 4.2745 4.2751 4.2751 4.6604 4.6604 4.6616 4.6616 12.4498 12.4498 12.4507 12.4507 12.6463 12.6463 12.6590 12.6590 13.3412 13.3412 k = 0.2420 0.3911 0.5377 ( 4296 PWs) bands (ev): -13.5380 -13.5380 -13.5379 -13.5379 -9.6830 -9.6830 -9.6810 -9.6810 -9.5131 -9.5131 -9.5114 -9.5114 -2.7704 -2.7704 -2.7700 -2.7700 -0.9624 -0.9624 -0.9607 -0.9607 0.2142 0.2142 0.2163 0.2163 0.7152 0.7152 0.7240 0.7240 1.7633 1.7633 1.7722 1.7722 2.2836 2.2836 2.2911 2.2911 3.3184 3.3184 3.3239 3.3239 4.2578 4.2578 4.2583 4.2583 4.7013 4.7013 4.7023 4.7023 12.4198 12.4198 12.4205 12.4205 12.6015 12.6015 12.6139 12.6139 13.3917 13.3917 k = 0.2334 0.3771 0.5377 ( 4296 PWs) bands (ev): -13.5416 -13.5416 -13.5415 -13.5415 -9.6394 -9.6394 -9.6374 -9.6374 -9.5440 -9.5440 -9.5423 -9.5423 -2.8302 -2.8302 -2.8296 -2.8296 -0.8895 -0.8895 -0.8875 -0.8875 0.1734 0.1734 0.1752 0.1752 0.7096 0.7096 0.7187 0.7187 1.7779 1.7779 1.7865 1.7865 2.2905 2.2905 2.2982 2.2982 3.3195 3.3195 3.3254 3.3254 4.2426 4.2426 4.2430 4.2430 4.7420 4.7420 4.7429 4.7429 12.3893 12.3893 12.3899 12.3899 12.5536 12.5536 12.5656 12.5656 13.4399 13.4399 k = 0.2247 0.3631 0.5377 ( 4288 PWs) bands (ev): -13.5453 -13.5453 -13.5452 -13.5452 -9.5953 -9.5953 -9.5932 -9.5932 -9.5740 -9.5740 -9.5725 -9.5725 -2.8908 -2.8908 -2.8902 -2.8902 -0.8186 -0.8186 -0.8163 -0.8163 0.1324 0.1324 0.1340 0.1340 0.7045 0.7045 0.7138 0.7138 1.7933 1.7933 1.8015 1.8015 2.2991 2.2991 2.3069 2.3069 3.3210 3.3210 3.3271 3.3271 4.2288 4.2288 4.2291 4.2291 4.7824 4.7824 4.7832 4.7832 12.3592 12.3592 12.3597 12.3597 12.5030 12.5030 12.5146 12.5146 13.4840 13.4840 k = 0.2161 0.3492 0.5377 ( 4292 PWs) bands (ev): -13.5490 -13.5490 -13.5488 -13.5488 -9.6035 -9.6035 -9.6019 -9.6019 -9.5504 -9.5504 -9.5485 -9.5485 -2.9522 -2.9522 -2.9516 -2.9516 -0.7498 -0.7498 -0.7472 -0.7472 0.0916 0.0916 0.0930 0.0930 0.6997 0.6997 0.7093 0.7093 1.8093 1.8093 1.8171 1.8171 2.3091 2.3091 2.3171 2.3171 3.3230 3.3230 3.3294 3.3294 4.2164 4.2164 4.2166 4.2166 4.8224 4.8224 4.8231 4.8231 12.3301 12.3301 12.3305 12.3305 12.4503 12.4503 12.4615 12.4615 13.5218 13.5218 k = 0.2075 0.3352 0.5377 ( 4296 PWs) bands (ev): -13.5526 -13.5526 -13.5525 -13.5525 -9.6320 -9.6320 -9.6305 -9.6305 -9.5054 -9.5054 -9.5034 -9.5034 -3.0142 -3.0142 -3.0135 -3.0135 -0.6836 -0.6836 -0.6806 -0.6806 0.0511 0.0511 0.0524 0.0524 0.6954 0.6954 0.7053 0.7053 1.8258 1.8258 1.8333 1.8333 2.3206 2.3206 2.3287 2.3287 3.3256 3.3256 3.3323 3.3323 4.2052 4.2052 4.2054 4.2054 4.8619 4.8619 4.8624 4.8624 12.3025 12.3025 12.3028 12.3028 12.3960 12.3960 12.4067 12.4067 13.5514 13.5514 k = 0.1988 0.3212 0.5377 ( 4300 PWs) bands (ev): -13.5563 -13.5563 -13.5562 -13.5562 -9.6596 -9.6596 -9.6581 -9.6581 -9.4600 -9.4600 -9.4580 -9.4580 -3.0766 -3.0766 -3.0758 -3.0758 -0.6199 -0.6199 -0.6167 -0.6167 0.0112 0.0112 0.0122 0.0122 0.6917 0.6917 0.7018 0.7018 1.8428 1.8428 1.8498 1.8498 2.3332 2.3332 2.3415 2.3415 3.3290 3.3290 3.3359 3.3359 4.1953 4.1953 4.1955 4.1955 4.9007 4.9007 4.9011 4.9011 12.2765 12.2765 12.2769 12.2769 12.3406 12.3406 12.3508 12.3508 13.5709 13.5709 k = 0.1902 0.3073 0.5377 ( 4312 PWs) bands (ev): -13.5599 -13.5599 -13.5598 -13.5598 -9.6863 -9.6863 -9.6848 -9.6848 -9.4145 -9.4145 -9.4125 -9.4125 -3.1392 -3.1392 -3.1383 -3.1383 -0.5592 -0.5592 -0.5556 -0.5556 -0.0281 -0.0281 -0.0272 -0.0272 0.6885 0.6885 0.6988 0.6988 1.8600 1.8600 1.8667 1.8667 2.3468 2.3468 2.3552 2.3552 3.3333 3.3333 3.3405 3.3405 4.1866 4.1866 4.1867 4.1867 4.9387 4.9387 4.9389 4.9389 12.2525 12.2525 12.2531 12.2531 12.2847 12.2847 12.2942 12.2942 13.5789 13.5789 k = 0.1815 0.2933 0.5377 ( 4320 PWs) bands (ev): -13.5635 -13.5635 -13.5634 -13.5634 -9.7120 -9.7120 -9.7105 -9.7105 -9.3690 -9.3690 -9.3670 -9.3670 -3.2017 -3.2017 -3.2009 -3.2009 -0.5015 -0.5015 -0.4976 -0.4976 -0.0664 -0.0664 -0.0657 -0.0657 0.6860 0.6860 0.6964 0.6964 1.8774 1.8774 1.8837 1.8837 2.3613 2.3613 2.3697 2.3697 3.3387 3.3387 3.3461 3.3461 4.1790 4.1790 4.1790 4.1790 4.9757 4.9757 4.9758 4.9758 12.2244 12.2244 12.2312 12.2312 12.2350 12.2350 12.2377 12.2377 13.5748 13.5748 k = 0.1729 0.2793 0.5377 ( 4324 PWs) bands (ev): -13.5670 -13.5670 -13.5669 -13.5669 -9.7366 -9.7366 -9.7352 -9.7352 -9.3237 -9.3237 -9.3217 -9.3217 -3.2641 -3.2641 -3.2632 -3.2632 -0.4470 -0.4470 -0.4428 -0.4428 -0.1038 -0.1038 -0.1032 -0.1032 0.6841 0.6841 0.6947 0.6947 1.8949 1.8949 1.9009 1.9009 2.3762 2.3762 2.3847 2.3847 3.3454 3.3454 3.3529 3.3529 4.1723 4.1723 4.1724 4.1724 5.0117 5.0117 5.0117 5.0117 12.1706 12.1706 12.1803 12.1803 12.2128 12.2128 12.2135 12.2135 13.5592 13.5592 k = 0.1642 0.2654 0.5377 ( 4328 PWs) bands (ev): -13.5705 -13.5705 -13.5704 -13.5704 -9.7602 -9.7602 -9.7589 -9.7589 -9.2786 -9.2786 -9.2766 -9.2766 -3.3259 -3.3259 -3.3250 -3.3250 -0.3958 -0.3958 -0.3913 -0.3913 -0.1400 -0.1400 -0.1395 -0.1395 0.6829 0.6829 0.6936 0.6936 1.9123 1.9123 1.9180 1.9180 2.3914 2.3914 2.3999 2.3999 3.3534 3.3534 3.3611 3.3611 4.1666 4.1666 4.1667 4.1667 5.0464 5.0464 5.0465 5.0465 12.1151 12.1151 12.1241 12.1241 12.1964 12.1964 12.1969 12.1969 13.5333 13.5333 k = 0.1556 0.2514 0.5377 ( 4324 PWs) bands (ev): -13.5739 -13.5739 -13.5738 -13.5738 -9.7827 -9.7827 -9.7815 -9.7815 -9.2340 -9.2340 -9.2321 -9.2321 -3.3871 -3.3871 -3.3861 -3.3861 -0.3480 -0.3480 -0.3433 -0.3433 -0.1748 -0.1748 -0.1744 -0.1744 0.6824 0.6824 0.6931 0.6931 1.9296 1.9296 1.9349 1.9349 2.4065 2.4065 2.4149 2.4149 3.3628 3.3628 3.3706 3.3706 4.1618 4.1618 4.1619 4.1619 5.0798 5.0798 5.0800 5.0800 12.0603 12.0603 12.0688 12.0688 12.1825 12.1825 12.1831 12.1831 13.4992 13.4992 k = 0.1469 0.2374 0.5377 ( 4324 PWs) bands (ev): -13.5772 -13.5772 -13.5771 -13.5771 -9.8042 -9.8042 -9.8030 -9.8030 -9.1901 -9.1901 -9.1882 -9.1882 -3.4473 -3.4473 -3.4463 -3.4463 -0.3037 -0.3037 -0.2987 -0.2987 -0.2082 -0.2082 -0.2080 -0.2080 0.6827 0.6827 0.6934 0.6934 1.9466 1.9466 1.9516 1.9516 2.4213 2.4213 2.4296 2.4296 3.3737 3.3737 3.3815 3.3815 4.1577 4.1577 4.1579 4.1579 5.1119 5.1119 5.1122 5.1122 12.0066 12.0066 12.0146 12.0146 12.1714 12.1714 12.1719 12.1719 13.4591 13.4591 k = 0.1383 0.2235 0.5377 ( 4312 PWs) bands (ev): -13.5804 -13.5804 -13.5802 -13.5802 -9.8244 -9.8244 -9.8233 -9.8233 -9.1470 -9.1470 -9.1452 -9.1452 -3.5062 -3.5062 -3.5052 -3.5052 -0.2631 -0.2631 -0.2577 -0.2577 -0.2400 -0.2400 -0.2398 -0.2398 0.6838 0.6838 0.6944 0.6944 1.9633 1.9633 1.9680 1.9680 2.4355 2.4355 2.4437 2.4437 3.3862 3.3862 3.3940 3.3940 4.1544 4.1544 4.1546 4.1546 5.1424 5.1424 5.1429 5.1429 11.9544 11.9544 11.9619 11.9619 12.1627 12.1627 12.1633 12.1633 13.4151 13.4151 k = 0.1297 0.2095 0.5377 ( 4316 PWs) bands (ev): -13.5834 -13.5834 -13.5833 -13.5833 -9.8436 -9.8436 -9.8425 -9.8425 -9.1049 -9.1049 -9.1032 -9.1032 -3.5636 -3.5636 -3.5626 -3.5626 -0.2710 -0.2710 -0.2705 -0.2705 -0.2249 -0.2249 -0.2200 -0.2200 0.6856 0.6856 0.6960 0.6960 1.9796 1.9796 1.9839 1.9839 2.4489 2.4489 2.4568 2.4568 3.4001 3.4001 3.4078 3.4078 4.1517 4.1517 4.1519 4.1519 5.1715 5.1715 5.1720 5.1720 11.9040 11.9040 11.9111 11.9111 12.1566 12.1566 12.1571 12.1571 13.3691 13.3691 k = 0.1210 0.1955 0.5377 ( 4324 PWs) bands (ev): -13.5863 -13.5863 -13.5862 -13.5862 -9.8615 -9.8615 -9.8605 -9.8605 -9.0641 -9.0641 -9.0624 -9.0624 -3.6192 -3.6192 -3.6182 -3.6182 -0.2995 -0.2995 -0.2992 -0.2992 -0.1909 -0.1909 -0.1859 -0.1859 0.6881 0.6881 0.6983 0.6983 1.9952 1.9952 1.9993 1.9993 2.4612 2.4612 2.4689 2.4689 3.4154 3.4154 3.4229 3.4229 4.1496 4.1496 4.1498 4.1498 5.1989 5.1989 5.1994 5.1994 11.8557 11.8557 11.8622 11.8622 12.1527 12.1527 12.1533 12.1533 13.3226 13.3226 k = 0.1124 0.1816 0.5377 ( 4312 PWs) bands (ev): -13.5891 -13.5891 -13.5890 -13.5890 -9.8783 -9.8783 -9.8774 -9.8774 -9.0248 -9.0248 -9.0231 -9.0231 -3.6727 -3.6727 -3.6717 -3.6717 -0.3264 -0.3264 -0.3262 -0.3262 -0.1601 -0.1601 -0.1551 -0.1551 0.6913 0.6913 0.7011 0.7011 2.0103 2.0103 2.0140 2.0140 2.4725 2.4725 2.4799 2.4799 3.4318 3.4318 3.4391 3.4391 4.1480 4.1480 4.1482 4.1482 5.2246 5.2246 5.2252 5.2252 11.8096 11.8096 11.8157 11.8157 12.1509 12.1509 12.1515 12.1515 13.2770 13.2770 k = 0.1037 0.1676 0.5377 ( 4308 PWs) bands (ev): -13.5918 -13.5918 -13.5917 -13.5917 -9.8939 -9.8939 -9.8930 -9.8930 -8.9871 -8.9871 -8.9855 -8.9855 -3.7238 -3.7238 -3.7229 -3.7229 -0.3515 -0.3515 -0.3514 -0.3514 -0.1325 -0.1325 -0.1276 -0.1276 0.6951 0.6951 0.7045 0.7045 2.0246 2.0246 2.0281 2.0281 2.4826 2.4826 2.4895 2.4895 3.4492 3.4492 3.4561 3.4561 4.1468 4.1468 4.1470 4.1470 5.2485 5.2485 5.2492 5.2492 11.7660 11.7660 11.7717 11.7717 12.1508 12.1508 12.1514 12.1514 13.2334 13.2334 k = 0.0951 0.1536 0.5377 ( 4316 PWs) bands (ev): -13.5942 -13.5942 -13.5941 -13.5941 -9.9082 -9.9082 -9.9074 -9.9074 -8.9513 -8.9513 -8.9498 -8.9498 -3.7722 -3.7722 -3.7713 -3.7713 -0.3748 -0.3748 -0.3747 -0.3747 -0.1080 -0.1080 -0.1032 -0.1032 0.6993 0.6993 0.7082 0.7082 2.0381 2.0381 2.0413 2.0413 2.4914 2.4914 2.4979 2.4979 3.4671 3.4671 3.4738 3.4738 4.1459 4.1459 4.1462 4.1462 5.2707 5.2707 5.2714 5.2714 11.7252 11.7252 11.7304 11.7304 12.1523 12.1523 12.1529 12.1529 13.1925 13.1925 k = 0.0864 0.1397 0.5377 ( 4320 PWs) bands (ev): -13.5965 -13.5965 -13.5964 -13.5964 -9.9214 -9.9214 -9.9207 -9.9207 -8.9176 -8.9176 -8.9162 -8.9162 -3.8177 -3.8177 -3.8168 -3.8168 -0.3962 -0.3962 -0.3961 -0.3961 -0.0863 -0.0863 -0.0817 -0.0817 0.7039 0.7039 0.7122 0.7122 2.0507 2.0507 2.0536 2.0536 2.4990 2.4990 2.5050 2.5050 3.4854 3.4854 3.4916 3.4916 4.1454 4.1454 4.1456 4.1456 5.2909 5.2909 5.2916 5.2916 11.6873 11.6873 11.6920 11.6920 12.1549 12.1549 12.1555 12.1555 13.1550 13.1550 k = 0.0778 0.1257 0.5377 ( 4308 PWs) bands (ev): -13.5986 -13.5986 -13.5985 -13.5985 -9.9333 -9.9333 -9.9326 -9.9326 -8.8862 -8.8862 -8.8849 -8.8849 -3.8598 -3.8598 -3.8590 -3.8590 -0.4156 -0.4156 -0.4156 -0.4156 -0.0673 -0.0673 -0.0631 -0.0631 0.7087 0.7087 0.7164 0.7164 2.0624 2.0624 2.0649 2.0649 2.5054 2.5054 2.5109 2.5109 3.5036 3.5036 3.5093 3.5093 4.1451 4.1451 4.1453 4.1453 5.3094 5.3094 5.3101 5.3101 11.6525 11.6525 11.6568 11.6568 12.1583 12.1583 12.1589 12.1589 13.1215 13.1215 k = 0.0692 0.1117 0.5377 ( 4308 PWs) bands (ev): -13.6005 -13.6005 -13.6005 -13.6005 -9.9440 -9.9440 -9.9434 -9.9434 -8.8574 -8.8574 -8.8563 -8.8563 -3.8985 -3.8985 -3.8977 -3.8977 -0.4331 -0.4331 -0.4331 -0.4331 -0.0510 -0.0510 -0.0470 -0.0470 0.7136 0.7136 0.7206 0.7206 2.0730 2.0730 2.0753 2.0753 2.5108 2.5108 2.5157 2.5157 3.5213 3.5213 3.5265 3.5265 4.1450 4.1450 4.1452 4.1452 5.3259 5.3259 5.3265 5.3265 11.6210 11.6210 11.6248 11.6248 12.1622 12.1622 12.1627 12.1627 13.0922 13.0922 k = 0.0605 0.0978 0.5377 ( 4308 PWs) bands (ev): -13.6022 -13.6022 -13.6022 -13.6022 -9.9534 -9.9534 -9.9529 -9.9529 -8.8315 -8.8315 -8.8304 -8.8304 -3.9332 -3.9332 -3.9325 -3.9325 -0.4486 -0.4486 -0.4486 -0.4486 -0.0369 -0.0369 -0.0334 -0.0334 0.7184 0.7184 0.7246 0.7246 2.0826 2.0826 2.0845 2.0845 2.5151 2.5151 2.5196 2.5196 3.5381 3.5381 3.5427 3.5427 4.1451 4.1451 4.1452 4.1452 5.3404 5.3404 5.3411 5.3411 11.5928 11.5928 11.5961 11.5961 12.1662 12.1662 12.1666 12.1666 13.0673 13.0673 k = 0.0519 0.0838 0.5377 ( 4304 PWs) bands (ev): -13.6037 -13.6037 -13.6037 -13.6037 -9.9616 -9.9616 -9.9611 -9.9611 -8.8084 -8.8084 -8.8075 -8.8075 -3.9639 -3.9639 -3.9633 -3.9633 -0.4620 -0.4620 -0.4620 -0.4620 -0.0251 -0.0251 -0.0220 -0.0220 0.7229 0.7229 0.7284 0.7284 2.0910 2.0910 2.0927 2.0927 2.5187 2.5187 2.5225 2.5225 3.5536 3.5536 3.5576 3.5576 4.1452 4.1452 4.1454 4.1454 5.3531 5.3531 5.3537 5.3537 11.5682 11.5682 11.5710 11.5710 12.1700 12.1700 12.1704 12.1704 13.0468 13.0468 k = 0.0432 0.0698 0.5377 ( 4294 PWs) bands (ev): -13.6050 -13.6050 -13.6049 -13.6049 -9.9685 -9.9685 -9.9681 -9.9681 -8.7886 -8.7886 -8.7878 -8.7878 -3.9903 -3.9903 -3.9898 -3.9898 -0.4734 -0.4734 -0.4734 -0.4734 -0.0154 -0.0154 -0.0128 -0.0128 0.7271 0.7271 0.7317 0.7317 2.0982 2.0982 2.0996 2.0996 2.5215 2.5215 2.5247 2.5247 3.5675 3.5675 3.5709 3.5709 4.1454 4.1454 4.1455 4.1455 5.3638 5.3638 5.3643 5.3643 11.5472 11.5472 11.5496 11.5496 12.1734 12.1734 12.1737 12.1737 13.0305 13.0305 k = 0.0346 0.0559 0.5377 ( 4292 PWs) bands (ev): -13.6060 -13.6060 -13.6060 -13.6060 -9.9741 -9.9741 -9.9738 -9.9738 -8.7721 -8.7721 -8.7715 -8.7715 -4.0122 -4.0122 -4.0118 -4.0118 -0.4828 -0.4828 -0.4828 -0.4828 -0.0076 -0.0076 -0.0054 -0.0054 0.7309 0.7309 0.7346 0.7346 2.1042 2.1042 2.1053 2.1053 2.5237 2.5237 2.5262 2.5262 3.5794 3.5794 3.5821 3.5821 4.1456 4.1456 4.1457 4.1457 5.3725 5.3725 5.3730 5.3730 11.5300 11.5300 11.5319 11.5319 12.1762 12.1762 12.1765 12.1765 13.0180 13.0180 k = 0.0259 0.0419 0.5377 ( 4284 PWs) bands (ev): -13.6069 -13.6069 -13.6068 -13.6068 -9.9785 -9.9785 -9.9783 -9.9783 -8.7591 -8.7591 -8.7586 -8.7586 -4.0294 -4.0294 -4.0291 -4.0291 -0.4901 -0.4901 -0.4901 -0.4901 -0.0016 -0.0016 0.0001 0.0001 0.7340 0.7340 0.7368 0.7368 2.1089 2.1089 2.1097 2.1097 2.5253 2.5253 2.5273 2.5273 3.5890 3.5890 3.5911 3.5911 4.1458 4.1458 4.1459 4.1459 5.3794 5.3794 5.3797 5.3797 11.5165 11.5165 11.5179 11.5179 12.1785 12.1785 12.1787 12.1787 13.0090 13.0090 k = 0.0173 0.0279 0.5377 ( 4292 PWs) bands (ev): -13.6074 -13.6074 -13.6074 -13.6074 -9.9816 -9.9816 -9.9815 -9.9815 -8.7497 -8.7497 -8.7494 -8.7494 -4.0418 -4.0418 -4.0416 -4.0416 -0.4953 -0.4953 -0.4953 -0.4953 0.0027 0.0027 0.0038 0.0038 0.7364 0.7364 0.7383 0.7383 2.1123 2.1123 2.1129 2.1129 2.5265 2.5265 2.5278 2.5278 3.5962 3.5962 3.5976 3.5976 4.1459 4.1459 4.1460 4.1460 5.3843 5.3843 5.3845 5.3845 11.5069 11.5069 11.5079 11.5079 12.1801 12.1801 12.1802 12.1802 13.0029 13.0030 k = 0.0086 0.0140 0.5377 ( 4284 PWs) bands (ev): -13.6078 -13.6078 -13.6078 -13.6078 -9.9835 -9.9835 -9.9834 -9.9834 -8.7440 -8.7440 -8.7438 -8.7438 -4.0493 -4.0493 -4.0492 -4.0492 -0.4984 -0.4984 -0.4984 -0.4984 0.0054 0.0054 0.0060 0.0060 0.7381 0.7381 0.7390 0.7390 2.1144 2.1144 2.1147 2.1147 2.5274 2.5274 2.5280 2.5280 3.6007 3.6007 3.6014 3.6014 4.1460 4.1460 4.1461 4.1461 5.3872 5.3872 5.3874 5.3874 11.5013 11.5013 11.5017 11.5017 12.1810 12.1810 12.1811 12.1811 12.9995 12.9995 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.6079 -13.6079 -13.6079 -13.6079 -9.9841 -9.9841 -9.9841 -9.9841 -8.7420 -8.7420 -8.7420 -8.7420 -4.0517 -4.0517 -4.0517 -4.0517 -0.4994 -0.4994 -0.4994 -0.4994 0.0065 0.0065 0.0065 0.0065 0.7390 0.7390 0.7390 0.7390 2.1152 2.1152 2.1152 2.1152 2.5279 2.5279 2.5279 2.5279 3.6024 3.6024 3.6024 3.6024 4.1461 4.1461 4.1461 4.1461 5.3883 5.3883 5.3883 5.3883 11.4995 11.4995 11.4995 11.4995 12.1814 12.1814 12.1814 12.1814 12.9984 12.9984 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.6079 -13.6079 -13.6079 -13.6079 -9.9841 -9.9841 -9.9841 -9.9841 -8.7420 -8.7420 -8.7420 -8.7420 -4.0517 -4.0517 -4.0517 -4.0517 -0.4994 -0.4994 -0.4994 -0.4994 0.0065 0.0065 0.0065 0.0065 0.7390 0.7390 0.7390 0.7390 2.1152 2.1152 2.1152 2.1152 2.5279 2.5279 2.5279 2.5279 3.6024 3.6024 3.6024 3.6024 4.1461 4.1461 4.1461 4.1461 5.3883 5.3883 5.3883 5.3883 11.4995 11.4995 11.4995 11.4995 12.1814 12.1814 12.1814 12.1814 12.9984 12.9984 k = 0.0000 0.0000 0.5214 ( 4286 PWs) bands (ev): -13.6199 -13.6199 -13.5960 -13.5960 -10.0273 -10.0273 -9.9398 -9.9398 -8.7498 -8.7498 -8.7348 -8.7348 -4.0507 -4.0507 -4.0503 -4.0503 -0.5164 -0.5164 -0.4819 -0.4819 -0.0729 -0.0729 0.0691 0.0691 0.7181 0.7181 0.7762 0.7762 2.0874 2.0874 2.1385 2.1385 2.5238 2.5238 2.5338 2.5338 3.5905 3.5905 3.6142 3.6142 4.1222 4.1222 4.1686 4.1686 5.3704 5.3704 5.4049 5.4049 11.4888 11.4888 11.5203 11.5203 12.1729 12.1729 12.1887 12.1887 12.9577 12.9577 k = 0.0000 0.0000 0.5051 ( 4282 PWs) bands (ev): -13.6321 -13.6321 -13.5842 -13.5842 -10.0693 -10.0693 -9.8945 -9.8945 -8.7581 -8.7581 -8.7281 -8.7281 -4.0472 -4.0472 -4.0466 -4.0466 -0.5326 -0.5326 -0.4638 -0.4638 -0.1657 -0.1657 0.1137 0.1137 0.7108 0.7108 0.8308 0.8308 2.0551 2.0551 2.1570 2.1570 2.5213 2.5213 2.5420 2.5420 3.5786 3.5786 3.6259 3.6259 4.0970 4.0970 4.1899 4.1899 5.3515 5.3515 5.4202 5.4202 11.4880 11.4880 11.5508 11.5508 12.1643 12.1643 12.1934 12.1934 12.9169 12.9169 k = 0.0000 0.0000 0.4888 ( 4298 PWs) bands (ev): -13.6443 -13.6443 -13.5726 -13.5726 -10.1101 -10.1101 -9.8482 -9.8482 -8.7669 -8.7669 -8.7220 -8.7220 -4.0412 -4.0412 -4.0405 -4.0405 -0.5481 -0.5481 -0.4452 -0.4452 -0.2685 -0.2685 0.1413 0.1413 0.7138 0.7138 0.9012 0.9012 2.0184 2.0184 2.1707 2.1707 2.5203 2.5203 2.5526 2.5526 3.5666 3.5666 3.6374 3.6374 4.0707 4.0707 4.2099 4.2099 5.3313 5.3313 5.4344 5.4344 11.4974 11.4974 11.5909 11.5909 12.1562 12.1562 12.1938 12.1938 12.8787 12.8787 k = 0.0000 0.0000 0.4725 ( 4296 PWs) bands (ev): -13.6565 -13.6565 -13.5612 -13.5612 -10.1498 -10.1498 -9.8010 -9.8010 -8.7762 -8.7762 -8.7165 -8.7165 -4.0327 -4.0327 -4.0322 -4.0322 -0.5627 -0.5627 -0.4263 -0.4263 -0.3781 -0.3781 0.1551 0.1551 0.7244 0.7244 0.9836 0.9836 1.9774 1.9774 2.1796 2.1796 2.5205 2.5205 2.5660 2.5660 3.5546 3.5546 3.6488 3.6488 4.0433 4.0433 4.2288 4.2288 5.3101 5.3101 5.4473 5.4473 11.5167 11.5167 11.6403 11.6403 12.1492 12.1492 12.1878 12.1878 12.8463 12.8463 k = 0.0000 0.0000 0.4563 ( 4292 PWs) bands (ev): -13.6687 -13.6687 -13.5500 -13.5500 -10.1881 -10.1881 -9.7530 -9.7530 -8.7858 -8.7858 -8.7115 -8.7115 -4.0219 -4.0219 -4.0217 -4.0217 -0.5763 -0.5763 -0.4926 -0.4926 -0.4068 -0.4068 0.1587 0.1587 0.7406 0.7406 1.0740 1.0740 1.9324 1.9324 2.1837 2.1837 2.5217 2.5217 2.5827 2.5827 3.5426 3.5426 3.6601 3.6601 4.0149 4.0149 4.2467 4.2467 5.2880 5.2880 5.4590 5.4590 11.5459 11.5459 11.6985 11.6985 12.1436 12.1436 12.1732 12.1732 12.8224 12.8224 k = 0.0000 0.0000 0.4400 ( 4300 PWs) bands (ev): -13.6809 -13.6809 -13.5390 -13.5390 -10.2252 -10.2252 -9.7042 -9.7042 -8.7958 -8.7958 -8.7072 -8.7072 -4.0095 -4.0095 -4.0083 -4.0083 -0.6096 -0.6096 -0.5888 -0.5888 -0.3873 -0.3873 0.1552 0.1552 0.7608 0.7608 1.1686 1.1686 1.8835 1.8835 2.1828 2.1828 2.5237 2.5237 2.6030 2.6030 3.5307 3.5307 3.6711 3.6711 3.9859 3.9859 4.2637 4.2637 5.2649 5.2649 5.4695 5.4695 11.5847 11.5847 11.7651 11.7651 12.1395 12.1395 12.1485 12.1485 12.8091 12.8091 k = 0.0000 0.0000 0.4237 ( 4292 PWs) bands (ev): -13.6930 -13.6930 -13.5283 -13.5283 -10.2609 -10.2609 -9.6548 -9.6548 -8.8060 -8.8060 -8.7035 -8.7035 -3.9952 -3.9952 -3.9925 -3.9925 -0.7281 -0.7281 -0.6003 -0.6003 -0.3676 -0.3676 0.1468 0.1468 0.7840 0.7840 1.2644 1.2644 1.8310 1.8310 2.1771 2.1771 2.5264 2.5264 2.6274 2.6274 3.5188 3.5188 3.6820 3.6820 3.9565 3.9565 4.2800 4.2800 5.2410 5.2410 5.4790 5.4790 11.6329 11.6329 11.8395 11.8395 12.1132 12.1132 12.1372 12.1372 12.8076 12.8076 k = 0.0000 0.0000 0.4074 ( 4288 PWs) bands (ev): -13.7050 -13.7050 -13.5179 -13.5179 -10.2954 -10.2954 -9.6048 -9.6048 -8.8166 -8.8166 -8.7004 -8.7004 -3.9793 -3.9793 -3.9744 -3.9744 -0.8473 -0.8473 -0.6105 -0.6105 -0.3477 -0.3477 0.1352 0.1352 0.8095 0.8095 1.3590 1.3590 1.7750 1.7750 2.1664 2.1664 2.5295 2.5295 2.6564 2.6564 3.5070 3.5070 3.6927 3.6927 3.9270 3.9270 4.2957 4.2957 5.2165 5.2165 5.4873 5.4873 11.6900 11.6900 11.9209 11.9209 12.0681 12.0681 12.1367 12.1367 12.8174 12.8174 k = 0.0000 0.0000 0.3911 ( 4284 PWs) bands (ev): -13.7169 -13.7169 -13.5078 -13.5078 -10.3284 -10.3284 -9.5545 -9.5545 -8.8273 -8.8273 -8.6978 -8.6978 -3.9618 -3.9618 -3.9541 -3.9541 -0.9662 -0.9662 -0.6194 -0.6194 -0.3278 -0.3278 0.1215 0.1215 0.8368 0.8368 1.4506 1.4506 1.7159 1.7159 2.1509 2.1509 2.5330 2.5330 2.6905 2.6905 3.4954 3.4954 3.7032 3.7032 3.8977 3.8977 4.3109 4.3109 5.1913 5.1913 5.4947 5.4947 11.7558 11.7558 12.0084 12.0084 12.0150 12.0150 12.1379 12.1379 12.8372 12.8372 k = 0.0000 0.0000 0.3748 ( 4280 PWs) bands (ev): -13.7286 -13.7286 -13.4980 -13.4980 -10.3602 -10.3602 -9.5038 -9.5038 -8.8381 -8.8381 -8.6957 -8.6957 -3.9428 -3.9428 -3.9316 -3.9316 -1.0845 -1.0845 -0.6270 -0.6270 -0.3079 -0.3079 0.1064 0.1064 0.8654 0.8654 1.5378 1.5378 1.6539 1.6539 2.1307 2.1307 2.5367 2.5367 2.7301 2.7301 3.4840 3.4840 3.7135 3.7135 3.8688 3.8688 4.3257 4.3257 5.1657 5.1657 5.5012 5.5012 11.8298 11.8298 11.9549 11.9549 12.1014 12.1014 12.1408 12.1408 12.8655 12.8655 k = 0.0000 0.0000 0.3585 ( 4282 PWs) bands (ev): -13.7401 -13.7401 -13.4885 -13.4885 -10.3905 -10.3905 -9.4529 -9.4529 -8.8490 -8.8490 -8.6942 -8.6942 -3.9226 -3.9226 -3.9071 -3.9071 -1.2014 -1.2014 -0.6331 -0.6331 -0.2880 -0.2880 0.0906 0.0906 0.8950 0.8950 1.5893 1.5893 1.6193 1.6193 2.1058 2.1058 2.5404 2.5404 2.7754 2.7754 3.4728 3.4728 3.7236 3.7236 3.8407 3.8407 4.3402 4.3402 5.1398 5.1398 5.5070 5.5070 11.8902 11.8902 11.9116 11.9116 12.1451 12.1451 12.1981 12.1981 12.9008 12.9008 k = 0.0000 0.0000 0.3422 ( 4292 PWs) bands (ev): -13.7514 -13.7514 -13.4794 -13.4794 -10.4195 -10.4195 -9.4020 -9.4020 -8.8599 -8.8599 -8.6931 -8.6931 -3.9014 -3.9014 -3.8808 -3.8808 -1.3166 -1.3166 -0.6378 -0.6378 -0.2682 -0.2682 0.0744 0.0744 0.9255 0.9255 1.5226 1.5226 1.6943 1.6943 2.0765 2.0765 2.5440 2.5440 2.8265 2.8265 3.4620 3.4620 3.7334 3.7334 3.8138 3.8138 4.3546 4.3546 5.1137 5.1137 5.5120 5.5120 11.8224 11.8224 12.0003 12.0003 12.1512 12.1512 12.2960 12.2960 12.9416 12.9416 k = 0.0000 0.0000 0.3259 ( 4292 PWs) bands (ev): -13.7624 -13.7624 -13.4706 -13.4706 -10.4471 -10.4471 -9.3513 -9.3513 -8.8708 -8.8708 -8.6925 -8.6925 -3.8794 -3.8794 -3.8528 -3.8528 -1.4296 -1.4296 -0.6409 -0.6409 -0.2485 -0.2485 0.0581 0.0581 0.9565 0.9565 1.4540 1.4540 1.7625 1.7625 2.0431 2.0431 2.5473 2.5473 2.8831 2.8831 3.4516 3.4516 3.7427 3.7427 3.7882 3.7882 4.3689 4.3689 5.0876 5.0876 5.5165 5.5165 11.7524 11.7524 12.0958 12.0958 12.1586 12.1586 12.3922 12.3922 12.9869 12.9869 k = 0.0000 0.0000 0.3096 ( 4296 PWs) bands (ev): -13.7731 -13.7731 -13.4622 -13.4622 -10.4734 -10.4734 -9.3008 -9.3008 -8.8816 -8.8816 -8.6923 -8.6923 -3.8566 -3.8566 -3.8233 -3.8233 -1.5401 -1.5401 -0.6424 -0.6424 -0.2289 -0.2289 0.0419 0.0419 0.9879 0.9879 1.3839 1.3839 1.8236 1.8236 2.0057 2.0057 2.5503 2.5503 2.9446 2.9446 3.4417 3.4417 3.7501 3.7501 3.7659 3.7659 4.3830 4.3830 5.0615 5.0615 5.5205 5.5205 11.6811 11.6811 12.1671 12.1671 12.1975 12.1975 12.4809 12.4809 13.0283 13.0283 k = 0.0000 0.0000 0.2933 ( 4290 PWs) bands (ev): -13.7835 -13.7835 -13.4542 -13.4542 -10.4982 -10.4982 -9.2509 -9.2509 -8.8922 -8.8922 -8.6924 -8.6924 -3.8334 -3.8334 -3.7926 -3.7926 -1.6477 -1.6477 -0.6424 -0.6424 -0.2094 -0.2094 0.0260 0.0260 1.0194 1.0194 1.3127 1.3127 1.8780 1.8780 1.9649 1.9649 2.5528 2.5528 3.0100 3.0100 3.4327 3.4327 3.7383 3.7383 3.7640 3.7640 4.3971 4.3971 5.0358 5.0358 5.5243 5.5243 11.6094 11.6094 12.1767 12.1767 12.3045 12.3045 12.5535 12.5535 13.0109 13.0109 k = 0.0000 0.0000 0.2770 ( 4298 PWs) bands (ev): -13.7935 -13.7935 -13.4466 -13.4466 -10.5217 -10.5217 -9.2017 -9.2017 -8.9025 -8.9025 -8.6929 -8.6929 -3.8100 -3.8100 -3.7608 -3.7608 -1.7521 -1.7521 -0.6407 -0.6407 -0.1900 -0.1900 0.0105 0.0105 1.0510 1.0510 1.2408 1.2408 1.9208 1.9208 1.9262 1.9262 2.5548 2.5548 3.0781 3.0781 3.4249 3.4249 3.7179 3.7179 3.7722 3.7722 4.4111 4.4111 5.0104 5.0104 5.5279 5.5279 11.5378 11.5378 12.1870 12.1870 12.4165 12.4165 12.5982 12.5982 12.9933 12.9933 k = 0.0000 0.0000 0.2607 ( 4306 PWs) bands (ev): -13.8032 -13.8032 -13.4394 -13.4394 -10.5438 -10.5438 -9.1534 -9.1534 -8.9126 -8.9126 -8.6936 -8.6936 -3.7865 -3.7865 -3.7281 -3.7281 -1.8529 -1.8529 -0.6375 -0.6375 -0.1708 -0.1708 -0.0045 -0.0045 1.0824 1.0824 1.1685 1.1685 1.8745 1.8745 1.9682 1.9682 2.5562 2.5562 3.1467 3.1467 3.4191 3.4191 3.6985 3.6985 3.7808 3.7808 4.4250 4.4250 4.9855 4.9855 5.5313 5.5313 11.4670 11.4670 12.1979 12.1979 12.5327 12.5327 12.6076 12.6076 12.9769 12.9769 k = 0.0000 0.0000 0.2444 ( 4310 PWs) bands (ev): -13.8124 -13.8124 -13.4325 -13.4325 -10.5645 -10.5645 -9.1062 -9.1062 -8.9224 -8.9224 -8.6946 -8.6946 -3.7632 -3.7632 -3.6950 -3.6950 -1.9499 -1.9499 -0.6327 -0.6327 -0.1517 -0.1517 -0.0188 -0.0188 1.0959 1.0959 1.1139 1.1139 1.8260 1.8260 2.0053 2.0053 2.5568 2.5568 3.2129 3.2129 3.4174 3.4174 3.6807 3.6807 3.7893 3.7893 4.4387 4.4387 4.9614 4.9614 5.5349 5.5349 11.3973 11.3973 12.2091 12.2091 12.5852 12.5852 12.6528 12.6528 12.9624 12.9624 k = 0.0000 0.0000 0.2281 ( 4308 PWs) bands (ev): -13.8211 -13.8211 -13.4261 -13.4261 -10.5838 -10.5838 -9.0603 -9.0603 -8.9318 -8.9318 -8.6957 -8.6957 -3.7403 -3.7403 -3.6616 -3.6616 -2.0426 -2.0426 -0.6265 -0.6265 -0.1326 -0.1326 -0.0325 -0.0325 1.0244 1.0244 1.1442 1.1442 1.7759 1.7759 2.0380 2.0380 2.5568 2.5568 3.2708 3.2708 3.4243 3.4243 3.6644 3.6644 3.7976 3.7976 4.4521 4.4521 4.9380 4.9380 5.5386 5.5386 11.3293 11.3293 12.2203 12.2203 12.5429 12.5429 12.7755 12.7755 12.9499 12.9499 k = 0.0000 0.0000 0.2118 ( 4300 PWs) bands (ev): -13.8294 -13.8294 -13.4202 -13.4202 -10.6018 -10.6018 -9.0161 -9.0161 -8.9407 -8.9407 -8.6970 -8.6970 -3.7179 -3.7179 -3.6283 -3.6283 -2.1309 -2.1309 -0.6189 -0.6189 -0.1136 -0.1136 -0.0454 -0.0454 0.9535 0.9535 1.1741 1.1741 1.7250 1.7250 2.0667 2.0667 2.5561 2.5561 3.3101 3.3101 3.4492 3.4492 3.6498 3.6498 3.8056 3.8056 4.4653 4.4653 4.9156 4.9156 5.5425 5.5425 11.2634 11.2634 12.2314 12.2314 12.4900 12.4900 12.9004 12.9004 12.9396 12.9396 k = 0.0000 0.0000 0.1955 ( 4294 PWs) bands (ev): -13.8372 -13.8372 -13.4146 -13.4146 -10.6185 -10.6185 -8.9738 -8.9738 -8.9491 -8.9491 -8.6984 -8.6984 -3.6963 -3.6963 -3.5954 -3.5954 -2.2142 -2.2142 -0.6100 -0.6100 -0.0945 -0.0945 -0.0575 -0.0575 0.8838 0.8838 1.2031 1.2031 1.6739 1.6739 2.0920 2.0920 2.5547 2.5547 3.3269 3.3269 3.4948 3.4948 3.6367 3.6367 3.8134 3.8134 4.4780 4.4780 4.8943 4.8943 5.5468 5.5468 11.2001 11.2001 12.2421 12.2421 12.4329 12.4329 12.9316 12.9316 13.0269 13.0269 k = 0.0000 0.0000 0.1792 ( 4290 PWs) bands (ev): -13.8444 -13.8444 -13.4095 -13.4095 -10.6337 -10.6337 -8.9573 -8.9573 -8.9333 -8.9333 -8.6998 -8.6998 -3.6756 -3.6756 -3.5632 -3.5632 -2.2924 -2.2924 -0.6001 -0.6001 -0.0757 -0.0757 -0.0683 -0.0683 0.8157 0.8157 1.2310 1.2310 1.6231 1.6231 2.1144 2.1144 2.5527 2.5527 3.3308 3.3308 3.5508 3.5508 3.6252 3.6252 3.8207 3.8207 4.4903 4.4903 4.8742 4.8742 5.5513 5.5513 11.1397 11.1397 12.2522 12.2522 12.3754 12.3754 12.9261 12.9261 13.1538 13.1538 k = 0.0000 0.0000 0.1629 ( 4302 PWs) bands (ev): -13.8511 -13.8511 -13.4048 -13.4048 -10.6476 -10.6476 -8.9647 -8.9647 -8.8955 -8.8955 -8.7013 -8.7013 -3.6561 -3.6561 -3.5321 -3.5321 -2.3651 -2.3651 -0.5894 -0.5894 -0.0794 -0.0794 -0.0555 -0.0555 0.7496 0.7496 1.2576 1.2576 1.5734 1.5734 2.1341 2.1341 2.5501 2.5501 3.3293 3.3293 3.6055 3.6055 3.6184 3.6184 3.8278 3.8278 4.5019 4.5019 4.8554 4.8554 5.5562 5.5562 11.0826 11.0826 12.2615 12.2615 12.3196 12.3196 12.9230 12.9230 13.2804 13.2804 k = 0.0000 0.0000 0.1467 ( 4310 PWs) bands (ev): -13.8573 -13.8573 -13.4005 -13.4005 -10.6602 -10.6602 -8.9715 -8.9715 -8.8602 -8.8602 -8.7027 -8.7027 -3.6380 -3.6380 -3.5025 -3.5025 -2.4319 -2.4319 -0.5781 -0.5781 -0.0888 -0.0888 -0.0358 -0.0358 0.6858 0.6858 1.2826 1.2826 1.5255 1.5255 2.1514 2.1514 2.5471 2.5471 3.3259 3.3259 3.6047 3.6047 3.6664 3.6664 3.8344 3.8344 4.5129 4.5129 4.8380 4.8380 5.5613 5.5613 11.0293 11.0293 12.2664 12.2664 12.2704 12.2704 12.9222 12.9222 13.4056 13.4056 k = 0.0000 0.0000 0.1304 ( 4310 PWs) bands (ev): -13.8628 -13.8628 -13.3967 -13.3967 -10.6715 -10.6715 -8.9777 -8.9777 -8.8278 -8.8278 -8.7041 -8.7041 -3.6212 -3.6212 -3.4748 -3.4748 -2.4927 -2.4927 -0.5665 -0.5665 -0.0974 -0.0974 -0.0156 -0.0156 0.6247 0.6247 1.3059 1.3059 1.4801 1.4801 2.1666 2.1666 2.5437 2.5437 3.3218 3.3218 3.5972 3.5972 3.7185 3.7185 3.8406 3.8406 4.5230 4.5230 4.8222 4.8222 5.5666 5.5666 10.9803 10.9803 12.2182 12.2182 12.2773 12.2773 12.9234 12.9234 13.5284 13.5284 k = 0.0000 0.0000 0.1141 ( 4310 PWs) bands (ev): -13.8677 -13.8677 -13.3933 -13.3933 -10.6814 -10.6814 -8.9832 -8.9832 -8.7985 -8.7985 -8.7054 -8.7054 -3.6061 -3.6061 -3.4492 -3.4492 -2.5471 -2.5471 -0.5549 -0.5549 -0.1049 -0.1049 0.0051 0.0051 0.5666 0.5666 1.3272 1.3272 1.4378 1.4378 2.1797 2.1797 2.5402 2.5402 3.3176 3.3176 3.5905 3.5905 3.7659 3.7659 3.8464 3.8464 4.5322 4.5322 4.8080 4.8080 5.5719 5.5719 10.9358 10.9358 12.1742 12.1742 12.2837 12.2837 12.9263 12.9263 13.6440 13.6441 k = 0.0000 0.0000 0.0978 ( 4306 PWs) bands (ev): -13.8720 -13.8720 -13.3904 -13.3904 -10.6899 -10.6899 -8.9881 -8.9881 -8.7726 -8.7726 -8.7066 -8.7066 -3.5928 -3.5928 -3.4262 -3.4262 -2.5949 -2.5949 -0.5438 -0.5438 -0.1116 -0.1116 0.0265 0.0265 0.5120 0.5120 1.3463 1.3463 1.3994 1.3994 2.1909 2.1909 2.5367 2.5367 3.3136 3.3136 3.5849 3.5849 3.8074 3.8074 3.8519 3.8519 4.5404 4.5404 4.7955 4.7955 5.5771 5.5771 10.8963 10.8963 12.1354 12.1354 12.2891 12.2891 12.9305 12.9305 13.6763 13.6763 k = 0.0000 0.0000 0.0815 ( 4304 PWs) bands (ev): -13.8757 -13.8757 -13.3879 -13.3879 -10.6972 -10.6972 -8.9922 -8.9922 -8.7503 -8.7503 -8.7076 -8.7076 -3.5813 -3.5813 -3.4061 -3.4061 -2.6357 -2.6357 -0.5336 -0.5336 -0.1172 -0.1172 0.0484 0.0484 0.4612 0.4612 1.3627 1.3627 1.3658 1.3658 2.2004 2.2004 2.5333 2.5333 3.3100 3.3100 3.5802 3.5802 3.8407 3.8407 3.8593 3.8593 4.5476 4.5476 4.7848 4.7848 5.5820 5.5820 10.8622 10.8622 12.1020 12.1020 12.2935 12.2935 12.9354 12.9354 13.7023 13.7023 k = 0.0000 0.0000 0.0652 ( 4308 PWs) bands (ev): -13.8787 -13.8787 -13.3859 -13.3859 -10.7031 -10.7031 -8.9956 -8.9956 -8.7318 -8.7318 -8.7085 -8.7085 -3.5717 -3.5717 -3.3891 -3.3891 -2.6695 -2.6695 -0.5245 -0.5245 -0.1218 -0.1218 0.0706 0.0706 0.4147 0.4147 1.3369 1.3369 1.3769 1.3769 2.2080 2.2080 2.5303 2.5303 3.3070 3.3070 3.5764 3.5764 3.8551 3.8551 3.8784 3.8784 4.5535 4.5535 4.7759 4.7759 5.5863 5.5863 10.8338 10.8338 12.0744 12.0744 12.2969 12.2969 12.9406 12.9406 13.7228 13.7228 k = 0.0000 0.0000 0.0489 ( 4304 PWs) bands (ev): -13.8811 -13.8811 -13.3843 -13.3843 -10.7077 -10.7077 -8.9983 -8.9983 -8.7173 -8.7173 -8.7090 -8.7090 -3.5642 -3.5642 -3.3757 -3.3757 -2.6959 -2.6959 -0.5170 -0.5170 -0.1254 -0.1254 0.0926 0.0926 0.3735 0.3735 1.3139 1.3139 1.3879 1.3879 2.2139 2.2139 2.5277 2.5277 3.3046 3.3046 3.5735 3.5735 3.8595 3.8595 3.9004 3.9004 4.5582 4.5582 4.7690 4.7690 5.5900 5.5900 10.8114 10.8114 12.0527 12.0527 12.2995 12.2995 12.9454 12.9454 13.7381 13.7381 k = 0.0000 0.0000 0.0326 ( 4303 PWs) bands (ev): -13.8827 -13.8827 -13.3832 -13.3832 -10.7110 -10.7110 -9.0002 -9.0002 -8.7104 -8.7104 -8.7059 -8.7059 -3.5588 -3.5588 -3.3659 -3.3659 -2.7149 -2.7149 -0.5113 -0.5113 -0.1280 -0.1280 0.1129 0.1129 0.3393 0.3393 1.2971 1.2971 1.3960 1.3960 2.2181 2.2181 2.5258 2.5258 3.3028 3.3028 3.5715 3.5715 3.8620 3.8620 3.9169 3.9169 4.5616 4.5616 4.7640 4.7640 5.5927 5.5927 10.7952 10.7952 12.0371 12.0371 12.3013 12.3013 12.9493 12.9493 13.7487 13.7487 k = 0.0000 0.0000 0.0163 ( 4303 PWs) bands (ev): -13.8838 -13.8838 -13.3825 -13.3825 -10.7130 -10.7130 -9.0014 -9.0014 -8.7104 -8.7104 -8.6999 -8.6999 -3.5555 -3.5555 -3.3599 -3.3599 -2.7264 -2.7264 -0.5078 -0.5078 -0.1296 -0.1296 0.1285 0.1285 0.3153 0.3153 1.2869 1.2869 1.4008 1.4008 2.2207 2.2207 2.5246 2.5246 3.3017 3.3017 3.5703 3.5703 3.8634 3.8634 3.9269 3.9269 4.5637 4.5637 4.7610 4.7610 5.5944 5.5944 10.7854 10.7854 12.0277 12.0277 12.3024 12.3024 12.9519 12.9519 13.7549 13.7549 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8841 -13.8841 -13.3823 -13.3823 -10.7136 -10.7136 -9.0018 -9.0018 -8.7104 -8.7104 -8.6978 -8.6978 -3.5544 -3.5544 -3.3579 -3.3579 -2.7302 -2.7302 -0.5067 -0.5067 -0.1301 -0.1301 0.1347 0.1347 0.3063 0.3063 1.2835 1.2835 1.4025 1.4025 2.2215 2.2215 2.5242 2.5242 3.3014 3.3014 3.5699 3.5699 3.8639 3.8639 3.9302 3.9302 4.5643 4.5643 4.7600 4.7600 5.5950 5.5950 10.7822 10.7822 12.0246 12.0246 12.3027 12.3027 12.9527 12.9527 13.7569 13.7569 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.8841 -13.8841 -13.3823 -13.3823 -10.7136 -10.7136 -9.0018 -9.0018 -8.7104 -8.7104 -8.6978 -8.6978 -3.5544 -3.5544 -3.3579 -3.3579 -2.7302 -2.7302 -0.5067 -0.5067 -0.1301 -0.1301 0.1347 0.1347 0.3063 0.3063 1.2835 1.2835 1.4025 1.4025 2.2215 2.2215 2.5242 2.5242 3.3014 3.3014 3.5699 3.5699 3.8639 3.8639 3.9302 3.9302 4.5643 4.5643 4.7600 4.7600 5.5950 5.5950 10.7822 10.7822 12.0246 12.0246 12.3027 12.3027 12.9527 12.9527 13.7569 13.7569 k =-0.0139 0.0086 0.0000 ( 4301 PWs) bands (ev): -13.8836 -13.8836 -13.3823 -13.3823 -10.7150 -10.7150 -9.0016 -9.0016 -8.7146 -8.7124 -8.6960 -8.6935 -3.5521 -3.5519 -3.3588 -3.3586 -2.7282 -2.7281 -0.5079 -0.5075 -0.1284 -0.1283 0.1327 0.1329 0.3053 0.3054 1.2821 1.2822 1.4038 1.4039 2.2231 2.2232 2.5240 2.5242 3.3003 3.3006 3.5670 3.5672 3.8630 3.8630 3.9295 3.9295 4.5639 4.5641 4.7612 4.7613 5.5945 5.5945 10.7855 10.7855 12.0165 12.0171 12.3112 12.3115 12.9529 12.9530 13.7545 13.7550 k =-0.0278 0.0172 0.0000 ( 4303 PWs) bands (ev): -13.8822 -13.8822 -13.3824 -13.3823 -10.7192 -10.7192 -9.0012 -9.0011 -8.7208 -8.7181 -8.6904 -8.6873 -3.5451 -3.5446 -3.3613 -3.3608 -2.7222 -2.7219 -0.5110 -0.5103 -0.1232 -0.1230 0.1268 0.1272 0.3022 0.3024 1.2780 1.2783 1.4079 1.4081 2.2278 2.2280 2.5237 2.5240 3.2975 3.2981 3.5587 3.5591 3.8603 3.8604 3.9273 3.9274 4.5629 4.5633 4.7651 4.7653 5.5929 5.5929 10.7955 10.7956 11.9955 11.9967 12.3342 12.3350 12.9535 12.9537 13.7480 13.7489 k =-0.0417 0.0258 0.0000 ( 4303 PWs) bands (ev): -13.8799 -13.8798 -13.3824 -13.3823 -10.7261 -10.7261 -9.0005 -9.0003 -8.7273 -8.7245 -8.6840 -8.6808 -3.5332 -3.5326 -3.3651 -3.3644 -2.7123 -2.7118 -0.5161 -0.5150 -0.1146 -0.1143 0.1172 0.1177 0.2972 0.2974 1.2714 1.2717 1.4148 1.4150 2.2357 2.2360 2.5231 2.5236 3.2927 3.2937 3.5452 3.5457 3.8558 3.8560 3.9237 3.9239 4.5614 4.5620 4.7714 4.7717 5.5904 5.5904 10.8121 10.8122 11.9666 11.9683 12.3668 12.3680 12.9546 12.9548 13.7379 13.7391 k =-0.0556 0.0344 0.0000 ( 4303 PWs) bands (ev): -13.8766 -13.8766 -13.3825 -13.3824 -10.7357 -10.7357 -8.9996 -8.9993 -8.7339 -8.7311 -8.6776 -8.6742 -3.5167 -3.5158 -3.3701 -3.3692 -2.6987 -2.6980 -0.5229 -0.5215 -0.1028 -0.1024 0.1038 0.1046 0.2902 0.2905 1.2622 1.2626 1.4244 1.4246 2.2465 2.2469 2.5225 2.5231 3.2858 3.2871 3.5266 3.5273 3.8496 3.8498 3.9188 3.9190 4.5596 4.5603 4.7798 4.7802 5.5869 5.5869 10.8351 10.8353 11.9340 11.9362 12.4049 12.4065 12.9560 12.9563 13.7248 13.7262 k =-0.0694 0.0430 0.0000 ( 4309 PWs) bands (ev): -13.8724 -13.8724 -13.3826 -13.3824 -10.7479 -10.7479 -8.9984 -8.9980 -8.7403 -8.7377 -8.6712 -8.6677 -3.4954 -3.4943 -3.3760 -3.3749 -2.6817 -2.6808 -0.5313 -0.5296 -0.0878 -0.0874 0.0869 0.0879 0.2813 0.2816 1.2505 1.2510 1.4366 1.4369 2.2602 2.2607 2.5216 2.5223 3.2766 3.2783 3.5036 3.5045 3.8417 3.8419 3.9124 3.9127 4.5577 4.5585 4.7901 4.7905 5.5825 5.5825 10.8644 10.8646 11.9004 11.9030 12.4457 12.4478 12.9577 12.9581 13.7094 13.7111 k =-0.0833 0.0516 0.0000 ( 4313 PWs) bands (ev): -13.8673 -13.8673 -13.3827 -13.3825 -10.7626 -10.7626 -8.9969 -8.9965 -8.7466 -8.7440 -8.6650 -8.6615 -3.4696 -3.4683 -3.3825 -3.3813 -2.6616 -2.6605 -0.5412 -0.5392 -0.0699 -0.0694 0.0666 0.0678 0.2705 0.2709 1.2365 1.2371 1.4515 1.4518 2.2764 2.2771 2.5205 2.5214 3.2646 3.2668 3.4767 3.4779 3.8321 3.8323 3.9048 3.9050 4.5558 4.5567 4.8019 4.8023 5.5771 5.5771 10.8997 10.9000 11.8673 11.8703 12.4877 12.4902 12.9597 12.9601 13.6924 13.6942 k =-0.0972 0.0602 0.0000 ( 4305 PWs) bands (ev): -13.8614 -13.8613 -13.3828 -13.3826 -10.7796 -10.7796 -8.9953 -8.9949 -8.7527 -8.7502 -8.6591 -8.6555 -3.4393 -3.4378 -3.3895 -3.3880 -2.6387 -2.6374 -0.5523 -0.5501 -0.0491 -0.0487 0.0430 0.0444 0.2579 0.2584 1.2203 1.2209 1.4688 1.4692 2.2951 2.2958 2.5193 2.5204 3.2494 3.2521 3.4468 3.4484 3.8207 3.8210 3.8958 3.8961 4.5541 4.5550 4.8149 4.8153 5.5710 5.5710 10.9408 10.9411 11.8359 11.8393 12.5298 12.5327 12.9619 12.9624 13.6743 13.6763 k =-0.1111 0.0688 0.0000 ( 4297 PWs) bands (ev): -13.8546 -13.8545 -13.3830 -13.3827 -10.7988 -10.7988 -8.9936 -8.9931 -8.7586 -8.7561 -8.6535 -8.6498 -3.4047 -3.4029 -3.3965 -3.3949 -2.6133 -2.6119 -0.5646 -0.5621 -0.0258 -0.0253 0.0165 0.0181 0.2437 0.2442 1.2019 1.2026 1.4886 1.4890 2.3159 2.3167 2.5180 2.5191 3.2301 3.2332 3.4151 3.4171 3.8077 3.8080 3.8856 3.8859 4.5525 4.5534 4.8289 4.8292 5.5640 5.5640 10.9873 10.9877 11.8069 11.8106 12.5712 12.5745 12.9644 12.9650 13.6555 13.6576 k =-0.1250 0.0774 0.0000 ( 4298 PWs) bands (ev): -13.8470 -13.8469 -13.3831 -13.3829 -10.8201 -10.8200 -8.9917 -8.9912 -8.7641 -8.7617 -8.6482 -8.6444 -3.4035 -3.4018 -3.3657 -3.3638 -2.5858 -2.5841 -0.5780 -0.5752 -0.0134 -0.0111 0.0006 0.0007 0.2278 0.2285 1.1814 1.1821 1.5108 1.5112 2.3386 2.3395 2.5164 2.5177 3.2059 3.2094 3.3830 3.3852 3.7931 3.7934 3.8742 3.8746 4.5512 4.5521 4.8436 4.8438 5.5563 5.5564 11.0389 11.0394 11.7808 11.7848 12.6113 12.6150 12.9673 12.9679 13.6365 13.6386 k =-0.1389 0.0860 0.0000 ( 4298 PWs) bands (ev): -13.8386 -13.8385 -13.3833 -13.3830 -10.8432 -10.8431 -8.9898 -8.9892 -8.7693 -8.7669 -8.6433 -8.6394 -3.4101 -3.4083 -3.3226 -3.3205 -2.5563 -2.5544 -0.5923 -0.5892 -0.0452 -0.0428 0.0287 0.0290 0.2105 0.2112 1.1589 1.1597 1.5353 1.5357 2.3630 2.3639 2.5148 2.5162 3.1759 3.1797 3.3517 3.3541 3.7769 3.7772 3.8617 3.8621 4.5500 4.5509 4.8588 4.8590 5.5481 5.5481 11.0953 11.0958 11.7580 11.7623 12.6496 12.6535 12.9706 12.9712 13.6174 13.6196 k =-0.1528 0.0946 0.0000 ( 4298 PWs) bands (ev): -13.8295 -13.8294 -13.3835 -13.3832 -10.8679 -10.8679 -8.9878 -8.9872 -8.7741 -8.7718 -8.6387 -8.6348 -3.4162 -3.4143 -3.2756 -3.2732 -2.5252 -2.5230 -0.6075 -0.6042 -0.0795 -0.0769 0.0593 0.0597 0.1917 0.1924 1.1344 1.1353 1.5619 1.5623 2.3886 2.3896 2.5129 2.5145 3.1396 3.1436 3.3223 3.3246 3.7591 3.7594 3.8482 3.8486 4.5489 4.5498 4.8743 4.8744 5.5393 5.5393 11.1561 11.1566 11.7389 11.7434 12.6855 12.6896 12.9747 12.9752 13.5985 13.6007 k =-0.1667 0.1032 0.0000 ( 4290 PWs) bands (ev): -13.8197 -13.8196 -13.3837 -13.3834 -10.8942 -10.8941 -8.9858 -8.9852 -8.7786 -8.7763 -8.6346 -8.6307 -3.4217 -3.4197 -3.2247 -3.2221 -2.4927 -2.4903 -0.6235 -0.6199 -0.1159 -0.1130 0.0921 0.0925 0.1716 0.1725 1.1081 1.1089 1.5906 1.5910 2.4154 2.4164 2.5110 2.5127 3.0975 3.1014 3.2949 3.2971 3.7397 3.7401 3.8337 3.8342 4.5479 4.5487 4.8900 4.8900 5.5300 5.5300 11.2208 11.2214 11.7236 11.7284 12.7183 12.7225 12.9799 12.9804 13.5799 13.5820 k =-0.1806 0.1117 0.0000 ( 4290 PWs) bands (ev): -13.8092 -13.8091 -13.3839 -13.3836 -10.9217 -10.9217 -8.9839 -8.9833 -8.7826 -8.7804 -8.6310 -8.6270 -3.4264 -3.4244 -3.1702 -3.1674 -2.4590 -2.4563 -0.6402 -0.6364 -0.1541 -0.1509 0.1270 0.1274 0.1505 0.1513 1.0798 1.0807 1.6213 1.6216 2.4428 2.4439 2.5090 2.5108 3.0503 3.0541 3.2693 3.2711 3.7189 3.7192 3.8184 3.8189 4.5469 4.5476 4.9057 4.9057 5.5204 5.5204 11.2891 11.2898 11.7124 11.7173 12.7473 12.7515 12.9869 12.9872 13.5617 13.5638 k =-0.1944 0.1203 0.0000 ( 4302 PWs) bands (ev): -13.7982 -13.7980 -13.3841 -13.3837 -10.9502 -10.9502 -8.9820 -8.9814 -8.7863 -8.7841 -8.6278 -8.6238 -3.4303 -3.4282 -3.1122 -3.1092 -2.4242 -2.4213 -0.6578 -0.6537 -0.1938 -0.1904 0.1280 0.1290 0.1641 0.1645 1.0497 1.0506 1.6539 1.6541 2.4706 2.4718 2.5069 2.5088 2.9993 3.0028 3.2447 3.2462 3.6966 3.6969 3.8023 3.8028 4.5457 4.5464 4.9212 4.9213 5.5105 5.5105 11.3606 11.3613 11.7053 11.7103 12.7717 12.7757 12.9963 12.9964 13.5439 13.5459 k =-0.2083 0.1289 0.0000 ( 4294 PWs) bands (ev): -13.7866 -13.7865 -13.3843 -13.3840 -10.9797 -10.9797 -8.9802 -8.9795 -8.7895 -8.7874 -8.6251 -8.6211 -3.4333 -3.4312 -3.0509 -3.0477 -2.3887 -2.3855 -0.6760 -0.6718 -0.2349 -0.2311 0.1048 0.1059 0.2029 0.2032 1.0178 1.0187 1.6882 1.6884 2.4984 2.4994 2.5051 2.5068 2.9454 2.9488 3.2208 3.2219 3.6728 3.6732 3.7855 3.7861 4.5443 4.5450 4.9366 4.9368 5.5005 5.5005 11.4348 11.4357 11.7023 11.7075 12.7908 12.7945 13.0086 13.0088 13.5266 13.5286 k =-0.2222 0.1375 0.0000 ( 4282 PWs) bands (ev): -13.7746 -13.7744 -13.3845 -13.3842 -11.0097 -11.0097 -8.9784 -8.9778 -8.7923 -8.7902 -8.6229 -8.6189 -3.4354 -3.4332 -2.9865 -2.9831 -2.3525 -2.3491 -0.6951 -0.6905 -0.2769 -0.2728 0.0808 0.0819 0.2434 0.2438 0.9841 0.9850 1.7242 1.7243 2.5024 2.5046 2.5258 2.5273 2.8899 2.8931 3.1974 3.1981 3.6477 3.6481 3.7682 3.7688 4.5426 4.5432 4.9516 4.9519 5.4904 5.4905 11.5115 11.5124 11.7036 11.7089 12.8041 12.8075 13.0240 13.0245 13.5098 13.5117 k =-0.2361 0.1461 0.0000 ( 4280 PWs) bands (ev): -13.7622 -13.7620 -13.3847 -13.3844 -11.0402 -11.0402 -8.9768 -8.9761 -8.7946 -8.7926 -8.6211 -8.6172 -3.4365 -3.4344 -2.9192 -2.9157 -2.3158 -2.3122 -0.7148 -0.7101 -0.3197 -0.3152 0.0562 0.0574 0.2855 0.2859 0.9486 0.9495 1.7616 1.7617 2.5003 2.5026 2.5520 2.5536 2.8335 2.8366 3.1744 3.1748 3.6212 3.6217 3.7503 3.7510 4.5406 4.5411 4.9664 4.9667 5.4804 5.4804 11.5900 11.5910 11.7091 11.7144 12.8118 12.8148 13.0425 13.0434 13.4935 13.4953 k =-0.2500 0.1547 0.0000 ( 4276 PWs) bands (ev): -13.7494 -13.7493 -13.3850 -13.3846 -11.0709 -11.0709 -8.9753 -8.9746 -8.7965 -8.7945 -8.6199 -8.6159 -3.4367 -3.4346 -2.8492 -2.8455 -2.2789 -2.2750 -0.7354 -0.7304 -0.3629 -0.3581 0.0311 0.0323 0.3291 0.3295 0.9114 0.9124 1.8003 1.8005 2.4981 2.5006 2.5762 2.5781 2.7772 2.7803 3.1522 3.1523 3.5933 3.5939 3.7321 3.7328 4.5381 4.5387 4.9807 4.9811 5.4705 5.4705 11.6701 11.6712 11.7187 11.7240 12.8143 12.8170 13.0634 13.0646 13.4778 13.4794 k =-0.2639 0.1633 0.0000 ( 4276 PWs) bands (ev): -13.7365 -13.7364 -13.3852 -13.3848 -11.1016 -11.1015 -8.9738 -8.9732 -8.7980 -8.7960 -8.6191 -8.6152 -3.4360 -3.4339 -2.7768 -2.7729 -2.2418 -2.2377 -0.7569 -0.7517 -0.4063 -0.4012 0.0057 0.0070 0.3740 0.3743 0.8726 0.8736 1.8402 1.8405 2.4961 2.4987 2.5971 2.5994 2.7221 2.7254 3.1311 3.1313 3.5642 3.5648 3.7135 3.7142 4.5353 4.5358 4.9946 4.9950 5.4608 5.4608 11.7323 11.7376 11.7514 11.7525 12.8125 12.8149 13.0861 13.0874 13.4625 13.4640 k =-0.2778 0.1719 0.0000 ( 4272 PWs) bands (ev): -13.7235 -13.7233 -13.3854 -13.3850 -11.1320 -11.1320 -8.9726 -8.9719 -8.7990 -8.7971 -8.6188 -8.6149 -3.4345 -3.4324 -2.7022 -2.6981 -2.2048 -2.2005 -0.7794 -0.7739 -0.4496 -0.4442 -0.0199 -0.0186 0.4198 0.4201 0.8324 0.8335 1.8811 1.8816 2.4942 2.4970 2.6104 2.6136 2.6718 2.6758 3.1122 3.1127 3.5338 3.5345 3.6945 3.6953 4.5321 4.5326 5.0079 5.0083 5.4513 5.4514 11.7497 11.7550 11.8333 11.8344 12.8070 12.8090 13.1096 13.1110 13.4477 13.4491 k =-0.2917 0.1805 0.0000 ( 4266 PWs) bands (ev): -13.7104 -13.7102 -13.3856 -13.3853 -11.1620 -11.1620 -8.9714 -8.9708 -8.7997 -8.7978 -8.6189 -8.6151 -3.4321 -3.4302 -2.6256 -2.6213 -2.1681 -2.1635 -0.8030 -0.7972 -0.4926 -0.4869 -0.0455 -0.0441 0.4664 0.4667 0.7911 0.7922 1.9228 1.9235 2.4926 2.4955 2.5958 2.5976 2.6485 2.6509 3.0966 3.0974 3.5023 3.5031 3.6753 3.6761 4.5285 4.5289 5.0206 5.0211 5.4422 5.4423 11.7709 11.7761 11.9154 11.9166 12.7982 12.8000 13.1335 13.1349 13.4334 13.4347 k =-0.3056 0.1891 0.0000 ( 4270 PWs) bands (ev): -13.6974 -13.6972 -13.3858 -13.3855 -11.1914 -11.1913 -8.9703 -8.9698 -8.7999 -8.7981 -8.6194 -8.6157 -3.4292 -3.4273 -2.5473 -2.5427 -2.1317 -2.1270 -0.8278 -0.8217 -0.5348 -0.5289 -0.0709 -0.0695 0.5132 0.5135 0.7492 0.7503 1.9651 1.9660 2.4912 2.4943 2.5518 2.5518 2.6514 2.6518 3.0856 3.0866 3.4697 3.4705 3.6558 3.6566 4.5246 4.5249 5.0328 5.0332 5.4335 5.4336 11.7954 11.8006 11.9974 11.9986 12.7865 12.7881 13.1572 13.1586 13.4198 13.4210 k =-0.3194 0.1977 0.0000 ( 4272 PWs) bands (ev): -13.6845 -13.6844 -13.3860 -13.3857 -11.2198 -11.2198 -8.9694 -8.9689 -8.7998 -8.7980 -8.6202 -8.6166 -3.4256 -3.4238 -2.4675 -2.4628 -2.0960 -2.0910 -0.8540 -0.8477 -0.5762 -0.5701 -0.0959 -0.0945 0.5592 0.5595 0.7076 0.7088 2.0077 2.0088 2.4901 2.4933 2.5035 2.5040 2.6523 2.6524 3.0803 3.0814 3.4361 3.4370 3.6360 3.6369 4.5203 4.5207 5.0443 5.0447 5.4253 5.4253 11.8233 11.8283 12.0786 12.0800 12.7721 12.7735 13.1805 13.1817 13.4068 13.4079 k =-0.3333 0.2063 0.0000 ( 4274 PWs) bands (ev): -13.6720 -13.6719 -13.3862 -13.3859 -11.2473 -11.2472 -8.9686 -8.9681 -8.7994 -8.7976 -8.6214 -8.6179 -3.4215 -3.4198 -2.3865 -2.3816 -2.0610 -2.0560 -0.8818 -0.8753 -0.6164 -0.6101 -0.1204 -0.1189 0.5995 0.5999 0.6715 0.6726 2.0503 2.0517 2.4563 2.4569 2.4899 2.4934 2.6471 2.6475 3.0813 3.0824 3.4016 3.4026 3.6160 3.6168 4.5159 4.5162 5.0550 5.0555 5.4175 5.4176 11.8541 11.8590 12.1587 12.1601 12.7551 12.7563 13.2030 13.2041 13.3947 13.3956 k =-0.3472 0.2149 0.0000 ( 4266 PWs) bands (ev): -13.6599 -13.6597 -13.3864 -13.3861 -11.2734 -11.2733 -8.9679 -8.9674 -8.7987 -8.7970 -8.6228 -8.6195 -3.4170 -3.4154 -2.3046 -2.2995 -2.0271 -2.0220 -0.9116 -0.9048 -0.6550 -0.6486 -0.1440 -0.1425 0.6010 0.6020 0.6739 0.6745 2.0925 2.0942 2.4118 2.4124 2.4900 2.4939 2.6359 2.6363 3.0884 3.0895 3.3664 3.3675 3.5956 3.5965 4.5113 4.5116 5.0651 5.0655 5.4103 5.4104 11.8876 11.8923 12.2371 12.2385 12.7357 12.7367 13.2246 13.2255 13.3836 13.3843 k =-0.3611 0.2235 0.0000 ( 4266 PWs) bands (ev): -13.6483 -13.6482 -13.3866 -13.3863 -11.2980 -11.2980 -8.9673 -8.9668 -8.7977 -8.7961 -8.6244 -8.6213 -3.4124 -3.4109 -2.2221 -2.2168 -1.9945 -1.9894 -0.9434 -0.9365 -0.6919 -0.6855 -0.1666 -0.1651 0.5653 0.5665 0.7135 0.7139 2.1339 2.1359 2.3700 2.3705 2.4912 2.4953 2.6195 2.6198 3.1009 3.1021 3.3307 3.3319 3.5749 3.5758 4.5067 4.5070 5.0744 5.0748 5.4037 5.4037 11.9235 11.9280 12.3131 12.3146 12.7139 12.7146 13.2451 13.2458 13.3736 13.3743 k =-0.3750 0.2321 0.0000 ( 4258 PWs) bands (ev): -13.6373 -13.6372 -13.3867 -13.3865 -11.3210 -11.3209 -8.9667 -8.9663 -8.7966 -8.7950 -8.6262 -8.6233 -3.4076 -3.4062 -2.1394 -2.1338 -1.9634 -1.9584 -0.9777 -0.9705 -0.7266 -0.7203 -0.1880 -0.1865 0.5253 0.5265 0.7575 0.7578 2.1738 2.1761 2.3311 2.3316 2.4935 2.4980 2.5991 2.5994 3.1178 3.1190 3.2947 3.2960 3.5538 3.5547 4.5022 4.5024 5.0829 5.0833 5.3976 5.3977 11.9614 11.9658 12.3862 12.3877 12.6897 12.6902 13.2643 13.2648 13.3652 13.3658 k =-0.3889 0.2407 0.0000 ( 4258 PWs) bands (ev): -13.6271 -13.6270 -13.3869 -13.3866 -11.3421 -11.3421 -8.9663 -8.9659 -8.7953 -8.7938 -8.6281 -8.6254 -3.4028 -3.4016 -2.0567 -2.0510 -1.9342 -1.9293 -1.0146 -1.0073 -0.7590 -0.7529 -0.2079 -0.2065 0.4860 0.4872 0.8008 0.8011 2.2115 2.2142 2.2953 2.2957 2.4974 2.5021 2.5765 2.5767 3.1381 3.1392 3.2588 3.2601 3.5324 3.5333 4.4978 4.4980 5.0905 5.0909 5.3921 5.3922 12.0011 12.0052 12.4555 12.4571 12.6632 12.6636 13.2821 13.2824 13.3586 13.3591 k =-0.4028 0.2493 0.0000 ( 4258 PWs) bands (ev): -13.6178 -13.6177 -13.3870 -13.3868 -11.3612 -11.3612 -8.9659 -8.9656 -8.7939 -8.7925 -8.6299 -8.6275 -3.3982 -3.3972 -1.9745 -1.9685 -1.9071 -1.9024 -1.0546 -1.0472 -0.7886 -0.7828 -0.2261 -0.2248 0.4489 0.4500 0.8422 0.8424 2.2461 2.2492 2.2628 2.2632 2.5032 2.5082 2.5530 2.5531 3.1606 3.1617 3.2235 3.2248 3.5105 3.5114 4.4936 4.4938 5.0974 5.0977 5.3873 5.3873 12.0420 12.0459 12.5203 12.5218 12.6346 12.6347 13.2981 13.2982 13.3541 13.3546 k =-0.4167 0.2579 0.0000 ( 4258 PWs) bands (ev): -13.6095 -13.6094 -13.3871 -13.3869 -11.3781 -11.3781 -8.9656 -8.9653 -8.7925 -8.7913 -8.6317 -8.6295 -3.3939 -3.3930 -1.8931 -1.8870 -1.8824 -1.8782 -1.0978 -1.0903 -0.8152 -0.8098 -0.2424 -0.2413 0.4149 0.4159 0.8806 0.8809 2.2336 2.2338 2.2770 2.2801 2.5111 2.5165 2.5299 2.5303 3.1832 3.1844 3.1907 3.1922 3.4881 3.4890 4.4898 4.4900 5.1033 5.1036 5.3831 5.3831 12.0839 12.0875 12.5793 12.5809 12.6039 12.6043 13.3122 13.3123 13.3521 13.3526 k =-0.4306 0.2665 0.0000 ( 4270 PWs) bands (ev): -13.6022 -13.6021 -13.3872 -13.3871 -11.3927 -11.3927 -8.9654 -8.9651 -8.7911 -8.7901 -8.6334 -8.6315 -3.3901 -3.3893 -1.8607 -1.8568 -1.8129 -1.8065 -1.1444 -1.1368 -0.8384 -0.8336 -0.2566 -0.2556 0.3847 0.3857 0.9153 0.9155 2.2081 2.2082 2.3029 2.3060 2.5074 2.5082 2.5232 2.5274 3.1564 3.1575 3.2106 3.2114 3.4653 3.4662 4.4865 4.4866 5.1084 5.1087 5.3795 5.3795 12.1262 12.1295 12.5712 12.5715 12.6324 12.6335 13.3240 13.3243 13.3527 13.3533 k =-0.4444 0.2751 0.0000 ( 4272 PWs) bands (ev): -13.5961 -13.5961 -13.3873 -13.3872 -11.4048 -11.4048 -8.9652 -8.9650 -8.7899 -8.7890 -8.6348 -8.6333 -3.3867 -3.3861 -1.8421 -1.8389 -1.7345 -1.7279 -1.1945 -1.1870 -0.8578 -0.8537 -0.2685 -0.2677 0.3590 0.3599 0.9454 0.9456 2.1864 2.1865 2.3234 2.3263 2.4889 2.4893 2.5356 2.5398 3.1268 3.1279 3.2363 3.2371 3.4421 3.4430 4.4836 4.4837 5.1126 5.1128 5.3766 5.3766 12.1682 12.1712 12.5375 12.5381 12.6773 12.6784 13.3336 13.3341 13.3560 13.3566 k =-0.4583 0.2837 0.0000 ( 4276 PWs) bands (ev): -13.5913 -13.5913 -13.3873 -13.3873 -11.4144 -11.4143 -8.9650 -8.9649 -8.7888 -8.7881 -8.6359 -8.6348 -3.3840 -3.3835 -1.8271 -1.8245 -1.6583 -1.6517 -1.2480 -1.2406 -0.8732 -0.8700 -0.2779 -0.2773 0.3385 0.3391 0.9699 0.9701 2.1690 2.1690 2.3386 2.3410 2.4735 2.4738 2.5492 2.5527 3.1013 3.1023 3.2621 3.2630 3.4185 3.4194 4.4813 4.4814 5.1159 5.1160 5.3743 5.3743 12.2089 12.2116 12.5033 12.5042 12.7136 12.7145 13.3414 13.3419 13.3608 13.3614 k =-0.4722 0.2923 0.0000 ( 4274 PWs) bands (ev): -13.5879 -13.5878 -13.3874 -13.3873 -11.4213 -11.4212 -8.9649 -8.9648 -8.7880 -8.7875 -8.6367 -8.6359 -3.3819 -3.3816 -1.8160 -1.8142 -1.5854 -1.5787 -1.3044 -1.2971 -0.8842 -0.8820 -0.2847 -0.2843 0.3235 0.3239 0.9882 0.9882 2.1562 2.1562 2.3490 2.3507 2.4620 2.4622 2.5616 2.5640 3.0814 3.0822 3.2877 3.2885 3.3947 3.3956 4.4796 4.4797 5.1182 5.1183 5.3727 5.3727 12.2465 12.2487 12.4707 12.4716 12.7403 12.7409 13.3475 13.3479 13.3659 13.3663 k =-0.4861 0.3009 0.0000 ( 4284 PWs) bands (ev): -13.5857 -13.5857 -13.3874 -13.3874 -11.4254 -11.4254 -8.9648 -8.9648 -8.7874 -8.7871 -8.6371 -8.6367 -3.3807 -3.3805 -1.8090 -1.8081 -1.5183 -1.5122 -1.3608 -1.3544 -0.8907 -0.8895 -0.2888 -0.2886 0.3144 0.3146 0.9994 0.9994 2.1483 2.1483 2.3550 2.3559 2.4550 2.4551 2.5705 2.5717 3.0688 3.0692 3.3119 3.3126 3.3718 3.3725 4.4786 4.4786 5.1196 5.1197 5.3717 5.3717 12.2767 12.2780 12.4440 12.4447 12.7567 12.7570 13.3516 13.3517 13.3698 13.3700 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5850 -13.5850 -13.3874 -13.3874 -11.4268 -11.4268 -8.9648 -8.9648 -8.7871 -8.7871 -8.6372 -8.6372 -3.3802 -3.3802 -1.8063 -1.8063 -1.4757 -1.4757 -1.3938 -1.3938 -0.8924 -0.8924 -0.2901 -0.2901 0.3114 0.3114 1.0032 1.0032 2.1457 2.1457 2.3573 2.3573 2.4526 2.4526 2.5741 2.5741 3.0645 3.0645 3.3269 3.3269 3.3579 3.3579 4.4783 4.4783 5.1201 5.1201 5.3713 5.3713 12.2898 12.2898 12.4328 12.4328 12.7623 12.7623 13.3530 13.3530 13.3714 13.3714 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5850 -13.5850 -13.3874 -13.3874 -11.4268 -11.4268 -8.9648 -8.9648 -8.7871 -8.7871 -8.6372 -8.6372 -3.3802 -3.3802 -1.8063 -1.8063 -1.4757 -1.4757 -1.3938 -1.3938 -0.8924 -0.8924 -0.2901 -0.2901 0.3114 0.3114 1.0032 1.0032 2.1457 2.1457 2.3573 2.3573 2.4526 2.4526 2.5741 2.5741 3.0645 3.0645 3.3269 3.3269 3.3579 3.3579 4.4783 4.4783 5.1201 5.1201 5.3713 5.3713 12.2898 12.2898 12.4328 12.4328 12.7623 12.7623 13.3530 13.3530 13.3714 13.3714 k =-0.4914 0.3233-0.0000 ( 4274 PWs) bands (ev): -13.5851 -13.5851 -13.3875 -13.3875 -11.4258 -11.4258 -8.9713 -8.9701 -8.7867 -8.7864 -8.6336 -8.6320 -3.3799 -3.3799 -1.8085 -1.8081 -1.4698 -1.4693 -1.3944 -1.3944 -0.8936 -0.8933 -0.2985 -0.2961 0.3163 0.3189 1.0029 1.0032 2.1441 2.1451 2.3533 2.3592 2.4533 2.4584 2.5724 2.5730 3.0655 3.0661 3.3251 3.3258 3.3577 3.3580 4.4793 4.4797 5.1173 5.1179 5.3698 5.3704 12.2894 12.2899 12.4336 12.4336 12.7670 12.7683 13.2949 13.3103 13.4169 13.4326 k =-0.4829 0.3371-0.0000 ( 4270 PWs) bands (ev): -13.5855 -13.5855 -13.3877 -13.3877 -11.4229 -11.4229 -8.9886 -8.9865 -8.7851 -8.7845 -8.6221 -8.6191 -3.3792 -3.3791 -1.8139 -1.8132 -1.4524 -1.4514 -1.3964 -1.3964 -0.8968 -0.8963 -0.3204 -0.3159 0.3329 0.3378 1.0022 1.0028 2.1406 2.1425 2.3482 2.3585 2.4606 2.4693 2.5677 2.5689 3.0691 3.0701 3.3202 3.3216 3.3575 3.3581 4.4826 4.4834 5.1096 5.1107 5.3657 5.3669 12.2890 12.2898 12.4359 12.4359 12.7821 12.7847 13.2389 13.2539 13.4818 13.4977 k =-0.4743 0.3510-0.0000 ( 4278 PWs) bands (ev): -13.5861 -13.5860 -13.3880 -13.3880 -11.4181 -11.4181 -9.0146 -9.0118 -8.7824 -8.7815 -8.6047 -8.6006 -3.3779 -3.3777 -1.8213 -1.8202 -1.4250 -1.4235 -1.3995 -1.3994 -0.9021 -0.9012 -0.3535 -0.3474 0.3591 0.3658 1.0010 1.0020 2.1354 2.1380 2.3430 2.3557 2.4737 2.4842 2.5602 2.5620 3.0751 3.0767 3.3124 3.3145 3.3574 3.3582 4.4884 4.4895 5.0970 5.0987 5.3592 5.3610 12.2888 12.2898 12.4397 12.4397 12.8073 12.8109 13.1863 13.2008 13.5494 13.5652 k =-0.4657 0.3648-0.0000 ( 4268 PWs) bands (ev): -13.5869 -13.5868 -13.3885 -13.3885 -11.4114 -11.4114 -9.0469 -9.0438 -8.7785 -8.7773 -8.5837 -8.5788 -3.3762 -3.3759 -1.8290 -1.8275 -1.4055 -1.4050 -1.3874 -1.3861 -0.9092 -0.9081 -0.3952 -0.3879 0.3923 0.4004 0.9994 1.0007 2.1292 2.1322 2.3382 2.3518 2.4911 2.5022 2.5497 2.5522 3.0837 3.0859 3.3016 3.3044 3.3573 3.3584 4.4964 4.4980 5.0798 5.0819 5.3504 5.3526 12.2892 12.2902 12.4449 12.4450 12.8417 12.8463 13.1373 13.1513 13.6194 13.6351 k =-0.4572 0.3787-0.0000 ( 4274 PWs) bands (ev): -13.5879 -13.5879 -13.3890 -13.3890 -11.4027 -11.4027 -9.0839 -9.0805 -8.7735 -8.7721 -8.5609 -8.5554 -3.3740 -3.3737 -1.8356 -1.8337 -1.4109 -1.4106 -1.3448 -1.3428 -0.9183 -0.9169 -0.4432 -0.4351 0.4302 0.4394 0.9973 0.9989 2.1222 2.1253 2.3341 2.3475 2.5116 2.5226 2.5363 2.5396 3.0946 3.0975 3.2881 3.2916 3.3572 3.3588 4.5067 4.5086 5.0582 5.0607 5.3392 5.3419 12.2906 12.2914 12.4516 12.4517 12.8846 12.8901 13.0923 13.1055 13.6598 13.6606 k =-0.4486 0.3925-0.0000 ( 4284 PWs) bands (ev): -13.5892 -13.5891 -13.3897 -13.3897 -11.3922 -11.3922 -9.1242 -9.1208 -8.7675 -8.7657 -8.5377 -8.5316 -3.3714 -3.3711 -1.8402 -1.8380 -1.4181 -1.4178 -1.2959 -1.2934 -0.9290 -0.9274 -0.4957 -0.4871 0.4711 0.4810 0.9945 0.9963 2.1150 2.1181 2.3305 2.3432 2.5199 2.5225 2.5357 2.5450 3.1079 3.1115 3.2720 3.2761 3.3574 3.3594 4.5192 4.5215 5.0325 5.0353 5.3259 5.3290 12.2930 12.2934 12.4595 12.4597 12.9349 12.9414 13.0519 13.0638 13.6601 13.6612 k =-0.4400 0.4064-0.0000 ( 4280 PWs) bands (ev): -13.5907 -13.5907 -13.3905 -13.3905 -11.3797 -11.3797 -9.1669 -9.1635 -8.7603 -8.7582 -8.5148 -8.5083 -3.3685 -3.3681 -1.8420 -1.8394 -1.4267 -1.4264 -1.2420 -1.2390 -0.9414 -0.9394 -0.5514 -0.5424 0.5136 0.5240 0.9909 0.9930 2.1081 2.1110 2.3274 2.3390 2.5004 2.5042 2.5599 2.5688 3.1234 3.1279 3.2533 3.2582 3.3579 3.3604 4.5338 4.5365 5.0029 5.0060 5.3106 5.3139 12.2963 12.2966 12.4688 12.4689 12.9894 12.9994 13.0188 13.0266 13.6574 13.6588 k =-0.4314 0.4202-0.0000 ( 4272 PWs) bands (ev): -13.5926 -13.5925 -13.3913 -13.3913 -11.3653 -11.3653 -9.2115 -9.2081 -8.7520 -8.7497 -8.4928 -8.4861 -3.3654 -3.3649 -1.8406 -1.8377 -1.4365 -1.4362 -1.1839 -1.1805 -0.9552 -0.9530 -0.6091 -0.6000 0.5567 0.5675 0.9863 0.9887 2.1017 2.1043 2.3247 2.3350 2.4778 2.4823 2.5858 2.5937 3.1409 3.1465 3.2323 3.2379 3.3589 3.3620 4.5505 4.5534 4.9699 4.9732 5.2934 5.2970 12.2998 12.3011 12.4792 12.4794 12.9824 12.9944 13.0584 13.0635 13.6487 13.6505 k =-0.4229 0.4341-0.0000 ( 4278 PWs) bands (ev): -13.5947 -13.5946 -13.3922 -13.3922 -11.3490 -11.3490 -9.2574 -9.2541 -8.7428 -8.7401 -8.4722 -8.4652 -3.3621 -3.3615 -1.8358 -1.8325 -1.4476 -1.4473 -1.1225 -1.1186 -0.9703 -0.9678 -0.6680 -0.6588 0.5998 0.6109 0.9807 0.9834 2.0962 2.0985 2.3224 2.3313 2.4520 2.4571 2.6127 2.6194 3.1603 3.1671 3.2092 3.2155 3.3605 3.3644 4.5691 4.5723 4.9339 4.9373 5.2745 5.2782 12.3037 12.3061 12.4906 12.4908 12.9578 12.9676 13.1268 13.1330 13.6302 13.6323 k =-0.4143 0.4479-0.0000 ( 4266 PWs) bands (ev): -13.5971 -13.5970 -13.3931 -13.3931 -11.3309 -11.3309 -9.3043 -9.3012 -8.7325 -8.7295 -8.4532 -8.4459 -3.3587 -3.3581 -1.8273 -1.8237 -1.4600 -1.4596 -1.0588 -1.0543 -0.9865 -0.9836 -0.7266 -0.7176 0.6425 0.6537 0.9739 0.9768 2.0919 2.0938 2.3204 2.3279 2.4230 2.4286 2.6400 2.6456 3.1812 3.1844 3.1887 3.1920 3.3633 3.3680 4.5895 4.5930 4.8952 4.8987 5.2541 5.2578 12.3073 12.3111 12.5029 12.5031 12.9388 12.9469 13.2006 13.2072 13.5992 13.6015 k =-0.4057 0.4617-0.0000 ( 4272 PWs) bands (ev): -13.5998 -13.5997 -13.3941 -13.3941 -11.3108 -11.3108 -9.3520 -9.3489 -8.7212 -8.7180 -8.4360 -8.4285 -3.3553 -3.3547 -1.8152 -1.8113 -1.4735 -1.4731 -1.0040 -1.0004 -0.9948 -0.9898 -0.7826 -0.7741 0.6843 0.6957 0.9657 0.9688 2.0890 2.0906 2.3188 2.3249 2.3907 2.3968 2.6676 2.6719 3.1577 3.1652 3.2033 3.2133 3.3675 3.3734 4.6116 4.6154 4.8542 4.8577 5.2323 5.2360 12.3101 12.3154 12.5160 12.5162 12.9266 12.9328 13.2786 13.2855 13.5569 13.5593 k =-0.3972 0.4756-0.0000 ( 4268 PWs) bands (ev): -13.6029 -13.6028 -13.3951 -13.3951 -11.2890 -11.2889 -9.4001 -9.3972 -8.7090 -8.7055 -8.4208 -8.4131 -3.3521 -3.3514 -1.7995 -1.7954 -1.4883 -1.4878 -1.0214 -1.0178 -0.9434 -0.9357 -0.8241 -0.8175 0.7251 0.7366 0.9559 0.9592 2.0876 2.0889 2.3174 2.3223 2.3552 2.3617 2.6950 2.6981 3.1298 3.1379 3.2257 3.2376 3.3741 3.3813 4.6352 4.6394 4.8112 4.8147 5.2093 5.2131 12.3116 12.3183 12.5295 12.5298 12.9215 12.9259 13.3603 13.3675 13.5069 13.5091 k =-0.3886 0.4894-0.0000 ( 4278 PWs) bands (ev): -13.6063 -13.6062 -13.3960 -13.3960 -11.2652 -11.2652 -9.4485 -9.4457 -8.6959 -8.6921 -8.4075 -8.3997 -3.3492 -3.3484 -1.7805 -1.7762 -1.5043 -1.5038 -1.0395 -1.0356 -0.9471 -0.9366 -0.8072 -0.8030 0.7647 0.7763 0.9446 0.9480 2.0881 2.0890 2.3136 2.3191 2.3202 2.3232 2.7220 2.7239 3.1009 3.1095 3.2476 3.2615 3.3840 3.3925 4.6604 4.6648 4.7667 4.7702 5.1853 5.1890 12.3112 12.3195 12.5433 12.5436 12.9241 12.9267 13.4443 13.4507 13.4537 13.4549 k =-0.3800 0.5033-0.0000 ( 4280 PWs) bands (ev): -13.6100 -13.6099 -13.3969 -13.3969 -11.2397 -11.2396 -9.4969 -9.4943 -8.6819 -8.6779 -8.3962 -8.3883 -3.3466 -3.3459 -1.7585 -1.7540 -1.5215 -1.5209 -1.0579 -1.0536 -0.9941 -0.9836 -0.7441 -0.7395 0.8031 0.8147 0.9314 0.9350 2.0904 2.0911 2.2737 2.2813 2.3163 2.3185 2.7483 2.7490 3.0711 3.0802 3.2681 3.2836 3.3987 3.4083 4.6868 4.6914 4.7210 4.7245 5.1605 5.1642 12.3087 12.3184 12.5570 12.5575 12.9344 12.9353 13.3944 13.3962 13.5325 13.5399 k =-0.3715 0.5171-0.0000 ( 4288 PWs) bands (ev): -13.6141 -13.6140 -13.3978 -13.3978 -11.2123 -11.2122 -9.5454 -9.5429 -8.6671 -8.6628 -8.3870 -8.3790 -3.3447 -3.3439 -1.7339 -1.7293 -1.5399 -1.5392 -1.0762 -1.0715 -1.0487 -1.0384 -0.6699 -0.6649 0.8402 0.8518 0.9164 0.9201 2.0948 2.0952 2.2282 2.2361 2.3161 2.3173 2.7732 2.7737 3.0407 3.0503 3.2864 3.3028 3.4195 3.4293 4.6744 4.6776 4.7145 4.7193 5.1351 5.1387 12.3041 12.3151 12.5705 12.5710 12.9516 12.9522 13.3352 13.3368 13.6217 13.6292 k =-0.3629 0.5310-0.0000 ( 4286 PWs) bands (ev): -13.6186 -13.6185 -13.3986 -13.3986 -11.1831 -11.1830 -9.5937 -9.5913 -8.6516 -8.6471 -8.3798 -8.3717 -3.3434 -3.3426 -1.7077 -1.7030 -1.5595 -1.5588 -1.1046 -1.0933 -1.0929 -1.0889 -0.5918 -0.5863 0.8761 0.8874 0.8998 0.9033 2.1013 2.1015 2.1794 2.1876 2.3165 2.3167 2.7962 2.7978 3.0100 3.0201 3.3023 3.3187 3.4465 3.4557 4.6271 4.6303 4.7431 4.7481 5.1093 5.1127 12.2977 12.3096 12.5831 12.5838 12.9752 12.9773 13.2753 13.2766 13.7123 13.7200 k =-0.3543 0.5448-0.0000 ( 4285 PWs) bands (ev): -13.6234 -13.6233 -13.3993 -13.3993 -11.1521 -11.1520 -9.6416 -9.6394 -8.6354 -8.6306 -8.3746 -8.3664 -3.3430 -3.3421 -1.6810 -1.6763 -1.5804 -1.5796 -1.1564 -1.1456 -1.1106 -1.1056 -0.5114 -0.5055 0.8802 0.8840 0.9112 0.9228 2.1100 2.1100 2.1275 2.1360 2.3167 2.3174 2.8177 2.8204 2.9792 2.9897 3.3164 3.3323 3.4790 3.4870 4.5795 4.5825 4.7727 4.7779 5.0831 5.0865 12.2896 12.3023 12.5945 12.5954 13.0057 13.0089 13.2155 13.2164 13.8038 13.8116 k =-0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.6287 -13.6285 -13.3999 -13.3999 -11.1194 -11.1193 -9.6892 -9.6871 -8.6186 -8.6135 -8.3713 -8.3630 -3.3436 -3.3427 -1.6558 -1.6512 -1.6026 -1.6017 -1.2037 -1.1929 -1.1267 -1.1214 -0.4295 -0.4232 0.8592 0.8630 0.9449 0.9565 2.0725 2.0810 2.1210 2.1212 2.3175 2.3190 2.8377 2.8414 2.9484 2.9592 3.3296 3.3448 3.5158 3.5224 4.5317 4.5346 4.8029 4.8083 5.0569 5.0601 12.2803 12.2935 12.6039 12.6051 13.0423 13.0464 13.1565 13.1569 13.8537 13.8538 k =-0.3458 0.5587-0.0000 ( 4281 PWs) bands (ev): -13.6287 -13.6285 -13.3999 -13.3999 -11.1194 -11.1193 -9.6892 -9.6871 -8.6186 -8.6135 -8.3713 -8.3630 -3.3436 -3.3427 -1.6558 -1.6512 -1.6026 -1.6017 -1.2037 -1.1929 -1.1267 -1.1214 -0.4295 -0.4232 0.8592 0.8630 0.9449 0.9565 2.0725 2.0810 2.1210 2.1212 2.3175 2.3190 2.8377 2.8414 2.9484 2.9592 3.3296 3.3448 3.5158 3.5224 4.5317 4.5346 4.8029 4.8083 5.0569 5.0601 12.2803 12.2935 12.6039 12.6051 13.0423 13.0464 13.1565 13.1569 13.8537 13.8538 k =-0.3458 0.5587 0.0163 ( 4287 PWs) bands (ev): -13.6285 -13.6284 -13.4000 -13.4000 -11.1184 -11.1183 -9.6886 -9.6865 -8.6210 -8.6159 -8.3722 -8.3640 -3.3413 -3.3404 -1.6635 -1.6588 -1.6030 -1.6021 -1.1934 -1.1826 -1.1249 -1.1196 -0.4329 -0.4267 0.8598 0.8637 0.9462 0.9578 2.0706 2.0790 2.1189 2.1191 2.3193 2.3208 2.8395 2.8432 2.9475 2.9582 3.3288 3.3439 3.5173 3.5239 4.5314 4.5343 4.8026 4.8080 5.0562 5.0594 12.2775 12.2906 12.6027 12.6039 13.0442 13.0482 13.1522 13.1525 13.8527 13.8527 k =-0.3458 0.5587 0.0326 ( 4290 PWs) bands (ev): -13.6280 -13.6279 -13.4003 -13.4003 -11.1155 -11.1154 -9.6869 -9.6848 -8.6281 -8.6230 -8.3751 -8.3669 -3.3344 -3.3336 -1.6847 -1.6799 -1.6044 -1.6035 -1.1644 -1.1537 -1.1194 -1.1142 -0.4432 -0.4371 0.8617 0.8656 0.9502 0.9615 2.0649 2.0732 2.1127 2.1128 2.3247 2.3262 2.8447 2.8484 2.9447 2.9552 3.3266 3.3414 3.5218 3.5280 4.5304 4.5332 4.8018 4.8071 5.0542 5.0574 12.2692 12.2822 12.5991 12.6003 13.0500 13.0536 13.1392 13.1396 13.8496 13.8496 k =-0.3458 0.5587 0.0489 ( 4286 PWs) bands (ev): -13.6272 -13.6271 -13.4008 -13.4008 -11.1106 -11.1105 -9.6840 -9.6819 -8.6398 -8.6348 -8.3799 -8.3717 -3.3231 -3.3223 -1.7153 -1.7103 -1.6068 -1.6059 -1.1216 -1.1104 -1.1097 -1.1053 -0.4601 -0.4542 0.8649 0.8689 0.9564 0.9675 2.0555 2.0635 2.1032 2.1032 2.3329 2.3343 2.8534 2.8571 2.9400 2.9502 3.3232 3.3374 3.5289 3.5348 4.5287 4.5315 4.8003 4.8056 5.0507 5.0539 12.2563 12.2691 12.5933 12.5945 13.0590 13.0621 13.1178 13.1182 13.8449 13.8450 k =-0.3458 0.5587 0.0652 ( 4295 PWs) bands (ev): -13.6261 -13.6259 -13.4014 -13.4014 -11.1038 -11.1037 -9.6800 -9.6779 -8.6561 -8.6512 -8.3865 -8.3784 -3.3075 -3.3068 -1.7511 -1.7460 -1.6101 -1.6091 -1.0984 -1.0927 -1.0665 -1.0566 -0.4831 -0.4776 0.8694 0.8734 0.9647 0.9753 2.0424 2.0501 2.0911 2.0912 2.3433 2.3448 2.8653 2.8690 2.9332 2.9431 3.3188 3.3325 3.5383 3.5437 4.5264 4.5291 4.7982 4.8035 5.0459 5.0491 12.2397 12.2523 12.5853 12.5865 13.0705 13.0729 13.0887 13.0891 13.8393 13.8396 k =-0.3458 0.5587 0.0815 ( 4296 PWs) bands (ev): -13.6246 -13.6245 -13.4023 -13.4023 -11.0951 -11.0950 -9.6748 -9.6728 -8.6769 -8.6720 -8.3950 -8.3870 -3.2877 -3.2871 -1.7892 -1.7841 -1.6143 -1.6134 -1.0820 -1.0766 -1.0054 -0.9955 -0.5118 -0.5066 0.8752 0.8792 0.9745 0.9846 2.0259 2.0331 2.0771 2.0774 2.3553 2.3568 2.8801 2.8838 2.9244 2.9337 3.3139 3.3270 3.5496 3.5545 4.5235 4.5262 4.7955 4.8007 5.0398 5.0429 12.2206 12.2331 12.5753 12.5764 13.0514 13.0518 13.0852 13.0866 13.8333 13.8337 k =-0.3458 0.5587 0.0978 ( 4294 PWs) bands (ev): -13.6229 -13.6227 -13.4033 -13.4033 -11.0844 -11.0844 -9.6685 -9.6665 -8.7018 -8.6970 -8.4054 -8.3974 -3.2640 -3.2635 -1.8277 -1.8227 -1.6196 -1.6186 -1.0620 -1.0567 -0.9390 -0.9290 -0.5455 -0.5407 0.8822 0.8863 0.9853 0.9948 2.0059 2.0127 2.0621 2.0625 2.3684 2.3699 2.8976 2.9013 2.9135 2.9221 3.3086 3.3211 3.5625 3.5669 4.5200 4.5226 4.7920 4.7972 5.0322 5.0353 12.2004 12.2127 12.5634 12.5645 13.0088 13.0091 13.1005 13.1012 13.8272 13.8278 k =-0.3458 0.5587 0.1141 ( 4291 PWs) bands (ev): -13.6208 -13.6207 -13.4046 -13.4046 -11.0718 -11.0718 -9.6611 -9.6592 -8.7308 -8.7261 -8.4175 -8.4097 -3.2367 -3.2362 -1.8654 -1.8605 -1.6258 -1.6249 -1.0383 -1.0331 -0.8687 -0.8587 -0.5836 -0.5792 0.8906 0.8948 0.9966 1.0055 1.9827 1.9890 2.0465 2.0471 2.3822 2.3838 2.8999 2.9078 2.9177 2.9214 3.3034 3.3153 3.5765 3.5806 4.5161 4.5186 4.7877 4.7928 5.0233 5.0263 12.1801 12.1923 12.5495 12.5505 12.9615 12.9617 13.1169 13.1171 13.8211 13.8217 k =-0.3458 0.5587 0.1304 ( 4291 PWs) bands (ev): -13.6185 -13.6183 -13.4060 -13.4060 -11.0573 -11.0573 -9.6525 -9.6506 -8.7636 -8.7590 -8.4313 -8.4237 -3.2060 -3.2057 -1.9016 -1.8968 -1.6331 -1.6322 -1.0109 -1.0058 -0.7959 -0.7859 -0.6251 -0.6210 0.9002 0.9045 1.0079 1.0162 1.9565 1.9621 2.0309 2.0317 2.3965 2.3982 2.8841 2.8913 2.9393 2.9432 3.2983 3.3098 3.5915 3.5953 4.5117 4.5141 4.7827 4.7877 5.0131 5.0160 12.1608 12.1730 12.5334 12.5344 12.9114 12.9116 13.1336 13.1345 13.8146 13.8152 k =-0.3458 0.5587 0.1467 ( 4291 PWs) bands (ev): -13.6158 -13.6157 -13.4076 -13.4076 -11.0409 -11.0409 -9.6429 -9.6410 -8.8000 -8.7956 -8.4468 -8.4393 -3.1723 -3.1721 -1.9357 -1.9311 -1.6414 -1.6405 -0.9797 -0.9748 -0.7252 -0.7156 -0.6654 -0.6613 0.9112 0.9156 1.0188 1.0265 1.9274 1.9324 2.0156 2.0166 2.4112 2.4129 2.8656 2.8720 2.9626 2.9664 3.2938 3.3048 3.6073 3.6109 4.5070 4.5093 4.7766 4.7816 5.0015 5.0043 12.1435 12.1556 12.5146 12.5155 12.8609 12.8610 13.1508 13.1525 13.8073 13.8080 k =-0.3458 0.5587 0.1629 ( 4299 PWs) bands (ev): -13.6129 -13.6128 -13.4094 -13.4094 -11.0226 -11.0226 -9.6320 -9.6303 -8.8397 -8.8354 -8.4639 -8.4566 -3.1359 -3.1358 -1.9674 -1.9629 -1.6508 -1.6499 -0.9448 -0.9399 -0.7266 -0.7226 -0.6347 -0.6255 0.9235 0.9281 1.0289 1.0360 1.8956 1.9000 2.0011 2.0022 2.4259 2.4277 2.8443 2.8499 2.9868 2.9907 3.2901 3.3006 3.6237 3.6271 4.5021 4.5043 4.7696 4.7744 4.9886 4.9914 12.1288 12.1409 12.4923 12.4930 12.8123 12.8124 13.1685 13.1710 13.7989 13.7996 k =-0.3458 0.5587 0.1792 ( 4299 PWs) bands (ev): -13.6097 -13.6096 -13.4114 -13.4114 -11.0024 -11.0024 -9.6201 -9.6184 -8.8825 -8.8783 -8.4826 -8.4755 -3.0972 -3.0972 -1.9965 -1.9921 -1.6612 -1.6604 -0.9060 -0.9013 -0.7747 -0.7715 -0.5582 -0.5486 0.9371 0.9418 1.0380 1.0443 1.8613 1.8650 1.9876 1.9890 2.4405 2.4425 2.8201 2.8248 3.0115 3.0154 3.2874 3.2975 3.6407 3.6440 4.4970 4.4991 4.7615 4.7662 4.9744 4.9771 12.1174 12.1295 12.4655 12.4660 12.7684 12.7685 13.1865 13.1897 13.7886 13.7894 k =-0.3458 0.5587 0.1955 ( 4303 PWs) bands (ev): -13.6063 -13.6061 -13.4136 -13.4136 -10.9804 -10.9803 -9.6071 -9.6055 -8.9281 -8.9240 -8.5028 -8.4959 -3.0566 -3.0565 -2.0227 -2.0185 -1.6728 -1.6719 -0.8636 -0.8590 -0.8266 -0.8240 -0.4788 -0.4691 0.9521 0.9570 1.0456 1.0513 1.8248 1.8277 1.9754 1.9771 2.4549 2.4570 2.7930 2.7966 3.0360 3.0399 3.2861 3.2957 3.6581 3.6613 4.4918 4.4939 4.7523 4.7569 4.9591 4.9616 12.1098 12.1220 12.4334 12.4336 12.7314 12.7315 13.2047 13.2086 13.7761 13.7769 k =-0.3458 0.5587 0.2118 ( 4302 PWs) bands (ev): -13.6026 -13.6024 -13.4160 -13.4160 -10.9565 -10.9564 -9.5930 -9.5914 -8.9762 -8.9722 -8.5243 -8.5176 -3.0144 -3.0142 -2.0459 -2.0420 -1.6854 -1.6846 -0.8809 -0.8783 -0.8170 -0.8128 -0.3986 -0.3888 0.9684 0.9735 1.0517 1.0567 1.7860 1.7883 1.9650 1.9669 2.4688 2.4710 2.7627 2.7653 3.0597 3.0635 3.2865 3.2956 3.6760 3.6791 4.4868 4.4888 4.7418 4.7463 4.9426 4.9450 12.1064 12.1186 12.3960 12.3961 12.7026 12.7028 13.2229 13.2275 13.7608 13.7615 k =-0.3458 0.5587 0.2281 ( 4301 PWs) bands (ev): -13.5986 -13.5985 -13.4186 -13.4186 -10.9308 -10.9306 -9.5778 -9.5763 -9.0265 -9.0227 -8.5472 -8.5407 -2.9708 -2.9705 -2.0661 -2.0624 -1.6991 -1.6983 -0.9360 -0.9338 -0.7670 -0.7630 -0.3181 -0.3083 0.9861 0.9914 1.0561 1.0605 1.7453 1.7469 1.9565 1.9587 2.4820 2.4844 2.7293 2.7309 3.0818 3.0854 3.2892 3.2975 3.6943 3.6974 4.4820 4.4839 4.7300 4.7343 4.9251 4.9274 12.1074 12.1196 12.3542 12.3548 12.6821 12.6824 13.2408 13.2461 13.7422 13.7429 k =-0.3458 0.5587 0.2444 ( 4301 PWs) bands (ev): -13.5945 -13.5944 -13.4214 -13.4213 -10.9032 -10.9030 -9.5615 -9.5602 -9.0789 -9.0752 -8.5714 -8.5651 -2.9262 -2.9258 -2.0833 -2.0798 -1.7140 -1.7131 -0.9919 -0.9900 -0.7134 -0.7096 -0.2379 -0.2281 1.0052 1.0106 1.0588 1.0625 1.7028 1.7037 1.9503 1.9527 2.4944 2.4969 2.6926 2.6932 3.1017 3.1049 3.2943 3.3018 3.7132 3.7162 4.4775 4.4793 4.7168 4.7210 4.9067 4.9088 12.1129 12.1252 12.3104 12.3112 12.6689 12.6693 13.2582 13.2641 13.7197 13.7204 k =-0.3458 0.5587 0.2607 ( 4301 PWs) bands (ev): -13.5901 -13.5900 -13.4243 -13.4243 -10.8739 -10.8736 -9.5442 -9.5430 -9.1330 -9.1295 -8.5966 -8.5906 -2.8809 -2.8804 -2.0973 -2.0940 -1.7299 -1.7291 -1.0484 -1.0467 -0.6562 -0.6527 -0.1584 -0.1487 1.0257 1.0313 1.0596 1.0626 1.6586 1.6589 1.9466 1.9493 2.5055 2.5082 2.6523 2.6528 3.1188 3.1216 3.3021 3.3085 3.7326 3.7356 4.4735 4.4752 4.7021 4.7062 4.8874 4.8893 12.1232 12.1356 12.2664 12.2676 12.6620 12.6626 13.2746 13.2811 13.6925 13.6933 k =-0.3458 0.5587 0.2770 ( 4295 PWs) bands (ev): -13.5856 -13.5854 -13.4274 -13.4274 -10.8427 -10.8425 -9.5258 -9.5247 -9.1886 -9.1853 -8.6230 -8.6172 -2.8352 -2.8346 -2.1082 -2.1051 -1.7469 -1.7462 -1.1050 -1.1036 -0.5956 -0.5925 -0.0800 -0.0703 1.0473 1.0528 1.0590 1.0611 1.6126 1.6129 1.9457 1.9487 2.5153 2.5181 2.6083 2.6099 3.1331 3.1353 3.3121 3.3174 3.7529 3.7558 4.4700 4.4717 4.6859 4.6899 4.8674 4.8692 12.1382 12.1506 12.2242 12.2258 12.6603 12.6610 13.2894 13.2967 13.6600 13.6610 k =-0.3458 0.5587 0.2933 ( 4297 PWs) bands (ev): -13.5808 -13.5807 -13.4308 -13.4307 -10.8098 -10.8095 -9.5065 -9.5055 -9.2455 -9.2423 -8.6503 -8.6448 -2.7892 -2.7886 -2.1160 -2.1132 -1.7651 -1.7643 -1.1616 -1.1604 -0.5318 -0.5290 -0.0031 0.0065 1.0552 1.0569 1.0710 1.0770 1.5649 1.5659 1.9478 1.9511 2.5233 2.5262 2.5613 2.5638 3.1447 3.1463 3.3239 3.3279 3.7741 3.7770 4.4673 4.4689 4.6682 4.6721 4.8468 4.8485 12.1579 12.1701 12.1853 12.1874 12.6629 12.6636 13.3020 13.3099 13.6212 13.6224 k =-0.3458 0.5587 0.3096 ( 4289 PWs) bands (ev): -13.5759 -13.5758 -13.4343 -13.4342 -10.7752 -10.7749 -9.4861 -9.4852 -9.3035 -9.3004 -8.6785 -8.6732 -2.7433 -2.7426 -2.1207 -2.1180 -1.7843 -1.7836 -1.2178 -1.2168 -0.4649 -0.4625 0.0719 0.0814 1.0504 1.0517 1.0952 1.1014 1.5162 1.5177 1.9531 1.9566 2.5109 2.5146 2.5297 2.5329 3.1542 3.1553 3.3362 3.3391 3.7965 3.7992 4.4653 4.4669 4.6490 4.6527 4.8258 4.8273 12.1507 12.1528 12.1822 12.1948 12.6691 12.6699 13.3115 13.3201 13.5749 13.5766 k =-0.3458 0.5587 0.3259 ( 4293 PWs) bands (ev): -13.5709 -13.5708 -13.4379 -13.4379 -10.7389 -10.7385 -9.4647 -9.4640 -9.3623 -9.3593 -8.7074 -8.7025 -2.6975 -2.6968 -2.1223 -2.1198 -1.8047 -1.8040 -1.2736 -1.2727 -0.3952 -0.3933 0.1447 0.1540 1.0438 1.0445 1.1204 1.1268 1.4667 1.4686 1.9617 1.9655 2.4583 2.4630 2.5333 2.5368 3.1622 3.1629 3.3482 3.3500 3.8202 3.8229 4.4642 4.4658 4.6282 4.6317 4.8045 4.8058 12.1214 12.1239 12.2109 12.2235 12.6782 12.6791 13.3169 13.3261 13.5205 13.5227 k =-0.3458 0.5587 0.3422 ( 4293 PWs) bands (ev): -13.5657 -13.5656 -13.4418 -13.4417 -10.7009 -10.7005 -9.4425 -9.4419 -9.4217 -9.4189 -8.7371 -8.7324 -2.6521 -2.6514 -2.1209 -2.1186 -1.8261 -1.8255 -1.3287 -1.3279 -0.3229 -0.3215 0.2148 0.2239 1.0354 1.0356 1.1460 1.1523 1.4174 1.4195 1.9738 1.9778 2.4031 2.4087 2.5347 2.5384 3.1695 3.1700 3.3588 3.3596 3.8454 3.8479 4.4641 4.4657 4.6058 4.6092 4.7830 4.7841 12.0982 12.1010 12.2439 12.2564 12.6896 12.6905 13.3172 13.3270 13.4579 13.4608 k =-0.3458 0.5587 0.3585 ( 4292 PWs) bands (ev): -13.5605 -13.5603 -13.4458 -13.4457 -10.6613 -10.6608 -9.4817 -9.4790 -9.4192 -9.4187 -8.7674 -8.7629 -2.6072 -2.6066 -2.1164 -2.1143 -1.8486 -1.8481 -1.3829 -1.3822 -0.2483 -0.2474 0.2821 0.2910 1.0249 1.0253 1.1701 1.1758 1.3703 1.3720 1.9893 1.9936 2.3456 2.3522 2.5333 2.5372 3.1766 3.1770 3.3674 3.3674 3.8721 3.8746 4.4651 4.4666 4.5818 4.5852 4.7615 4.7624 12.0815 12.0846 12.2809 12.2933 12.7024 12.7033 13.3114 13.3218 13.3886 13.3922 k =-0.3458 0.5587 0.3748 ( 4292 PWs) bands (ev): -13.5551 -13.5550 -13.4500 -13.4499 -10.6201 -10.6195 -9.5419 -9.5394 -9.3950 -9.3947 -8.7981 -8.7939 -2.5630 -2.5623 -2.1089 -2.1070 -1.8723 -1.8717 -1.4361 -1.4355 -0.1717 -0.1713 0.3461 0.3548 1.0127 1.0135 1.1872 1.1909 1.3318 1.3320 2.0083 2.0127 2.2863 2.2937 2.5290 2.5331 3.1840 3.1845 3.3727 3.3735 3.9005 3.9028 4.4671 4.4686 4.5564 4.5596 4.7400 4.7407 12.0718 12.0751 12.3216 12.3340 12.7153 12.7162 13.2988 13.3093 13.3155 13.3198 k =-0.3458 0.5587 0.3911 ( 4297 PWs) bands (ev): -13.5496 -13.5495 -13.4543 -13.4543 -10.5773 -10.5766 -9.6022 -9.5999 -9.3700 -9.3699 -8.8293 -8.8254 -2.5194 -2.5187 -2.0985 -2.0968 -1.8970 -1.8965 -1.4881 -1.4876 -0.0936 -0.0935 0.4069 0.4153 0.9988 1.0001 1.1822 1.1828 1.3133 1.3179 2.0305 2.0351 2.2254 2.2337 2.5216 2.5259 3.1920 3.1926 3.3754 3.3767 3.9303 3.9326 4.4703 4.4718 4.5296 4.5326 4.7188 4.7193 12.0691 12.0728 12.3658 12.3782 12.7264 12.7272 13.2425 13.2470 13.2790 13.2900 k =-0.3458 0.5587 0.4074 ( 4298 PWs) bands (ev): -13.5441 -13.5440 -13.4588 -13.4588 -10.5330 -10.5322 -9.6626 -9.6603 -9.3442 -9.3442 -8.8608 -8.8571 -2.4766 -2.4760 -2.0853 -2.0837 -1.9228 -1.9223 -1.5388 -1.5383 -0.0147 -0.0139 0.4641 0.4722 0.9834 0.9852 1.1447 1.1484 1.3252 1.3328 2.0558 2.0605 2.1634 2.1724 2.5110 2.5155 3.2008 3.2015 3.3753 3.3771 3.9616 3.9638 4.4747 4.4761 4.5014 4.5043 4.6979 4.6982 12.0739 12.0777 12.4131 12.4254 12.7324 12.7329 13.1751 13.1797 13.2520 13.2630 k =-0.3458 0.5587 0.4237 ( 4302 PWs) bands (ev): -13.5385 -13.5384 -13.4635 -13.4634 -10.4871 -10.4863 -9.7227 -9.7206 -9.3178 -9.3176 -8.8925 -8.8891 -2.4346 -2.4341 -2.0692 -2.0678 -1.9496 -1.9493 -1.5880 -1.5876 0.0652 0.0665 0.5177 0.5255 0.9664 0.9686 1.0925 1.0973 1.3539 1.3628 2.0838 2.0885 2.1008 2.1104 2.4971 2.5018 3.2105 3.2115 3.3725 3.3747 3.9941 3.9962 4.4717 4.4746 4.4804 4.4820 4.6774 4.6776 12.0860 12.0901 12.4633 12.4755 12.7283 12.7284 13.1199 13.1242 13.2182 13.2292 k =-0.3458 0.5587 0.4400 ( 4303 PWs) bands (ev): -13.5329 -13.5328 -13.4683 -13.4682 -10.4399 -10.4390 -9.7826 -9.7806 -9.2906 -9.2902 -8.9244 -8.9213 -2.3936 -2.3931 -2.0504 -2.0492 -1.9775 -1.9772 -1.6357 -1.6353 0.1457 0.1476 0.5678 0.5753 0.9479 0.9505 1.0337 1.0390 1.3901 1.3997 2.0376 2.0478 2.1144 2.1193 2.4800 2.4849 3.2212 3.2224 3.3672 3.3697 4.0277 4.0297 4.4412 4.4439 4.4872 4.4886 4.6575 4.6575 12.1055 12.1098 12.5158 12.5280 12.7076 12.7086 13.0838 13.0875 13.1783 13.1894 k =-0.3458 0.5587 0.4563 ( 4303 PWs) bands (ev): -13.5273 -13.5272 -13.4732 -13.4731 -10.3912 -10.3903 -9.8420 -9.8401 -9.2627 -9.2621 -8.9564 -8.9535 -2.3534 -2.3530 -2.0290 -2.0279 -2.0063 -2.0061 -1.6817 -1.6814 0.2263 0.2288 0.6144 0.6215 0.9278 0.9308 0.9710 0.9766 1.4306 1.4408 1.9748 1.9855 2.1467 2.1518 2.4598 2.4648 3.2328 3.2343 3.3596 3.3624 4.0620 4.0640 4.4095 4.4121 4.4952 4.4966 4.6381 4.6383 12.1322 12.1367 12.5704 12.5825 12.6688 12.6707 13.0701 13.0728 13.1334 13.1444 k =-0.3458 0.5587 0.4725 ( 4299 PWs) bands (ev): -13.5217 -13.5215 -13.4782 -13.4781 -10.3412 -10.3402 -9.9009 -9.8991 -9.2341 -9.2333 -8.9883 -8.9856 -2.3142 -2.3138 -2.0368 -2.0366 -2.0045 -2.0035 -1.7260 -1.7256 0.3068 0.3098 0.6576 0.6644 0.9048 0.9059 0.9101 0.9112 1.4745 1.4850 1.9125 1.9236 2.1805 2.1856 2.4365 2.4416 3.2452 3.2470 3.3502 3.3531 4.0970 4.0990 4.3768 4.3793 4.5045 4.5058 4.6194 4.6197 12.1660 12.1706 12.6131 12.6182 12.6290 12.6388 13.0746 13.0775 13.0852 13.0952 k =-0.3458 0.5587 0.4888 ( 4297 PWs) bands (ev): -13.5160 -13.5159 -13.4834 -13.4833 -10.2900 -10.2889 -9.9592 -9.9575 -9.2049 -9.2039 -9.0201 -9.0177 -2.2760 -2.2757 -2.0677 -2.0676 -1.9779 -1.9771 -1.7683 -1.7680 0.3866 0.3903 0.6977 0.7040 0.8372 0.8429 0.8827 0.8866 1.5212 1.5321 1.8512 1.8626 2.2151 2.2203 2.4105 2.4157 3.2583 3.2604 3.3391 3.3421 4.1324 4.1344 4.3433 4.3457 4.5150 4.5162 4.6015 4.6020 12.2065 12.2111 12.5533 12.5573 12.6849 12.6963 13.0312 13.0424 13.0951 13.0962 k =-0.3458 0.5587 0.5051 ( 4296 PWs) bands (ev): -13.5104 -13.5103 -13.4886 -13.4885 -10.2375 -10.2363 -10.0167 -10.0151 -9.1752 -9.1739 -9.0517 -9.0496 -2.2387 -2.2385 -2.0998 -2.0998 -1.9487 -1.9480 -1.8087 -1.8083 0.4656 0.4698 0.7347 0.7405 0.7669 0.7724 0.8574 0.8618 1.5706 1.5818 1.7913 1.8028 2.2501 2.2553 2.3819 2.3871 3.2720 3.2743 3.3268 3.3298 4.1680 4.1701 4.3091 4.3114 4.5267 4.5278 4.5845 4.5851 12.2532 12.2580 12.4888 12.4932 12.7433 12.7547 12.9762 12.9873 13.1230 13.1238 k =-0.3458 0.5587 0.5214 ( 4298 PWs) bands (ev): -13.5049 -13.5048 -13.4940 -13.4939 -10.1838 -10.1825 -10.0734 -10.0719 -9.1449 -9.1435 -9.0831 -9.0812 -2.2025 -2.2023 -2.1330 -2.1330 -1.9171 -1.9165 -1.8471 -1.8466 0.5434 0.5480 0.6941 0.6995 0.7691 0.7746 0.8302 0.8349 1.6225 1.6339 1.7330 1.7446 2.2847 2.2900 2.3511 2.3564 3.2859 3.2885 3.3136 3.3165 4.2036 4.2057 4.2744 4.2766 4.5395 4.5405 4.5685 4.5692 12.3057 12.3105 12.4248 12.4293 12.8022 12.8135 12.9192 12.9303 13.1568 13.1574 k =-0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4994 -13.4994 -13.4993 -13.4993 -10.1291 -10.1291 -10.1277 -10.1277 -9.1142 -9.1142 -9.1125 -9.1125 -2.1672 -2.1672 -2.1671 -2.1671 -1.8832 -1.8832 -1.8827 -1.8827 0.6196 0.6196 0.6246 0.6246 0.8008 0.8008 0.8059 0.8059 1.6767 1.6767 1.6882 1.6882 2.3186 2.3186 2.3238 2.3238 3.2999 3.2999 3.3026 3.3026 4.2391 4.2391 4.2413 4.2413 4.5534 4.5534 4.5543 4.5543 12.3632 12.3632 12.3679 12.3679 12.8610 12.8610 12.8722 12.8722 13.1946 13.1946 k =-0.3458 0.5587 0.5377 ( 4298 PWs) bands (ev): -13.4994 -13.4994 -13.4993 -13.4993 -10.1291 -10.1291 -10.1277 -10.1277 -9.1142 -9.1142 -9.1125 -9.1125 -2.1672 -2.1672 -2.1671 -2.1671 -1.8832 -1.8832 -1.8827 -1.8827 0.6196 0.6196 0.6246 0.6246 0.8008 0.8008 0.8059 0.8059 1.6767 1.6767 1.6882 1.6882 2.3186 2.3186 2.3238 2.3238 3.2999 3.2999 3.3026 3.3026 4.2391 4.2391 4.2413 4.2413 4.5534 4.5534 4.5543 4.5543 12.3632 12.3632 12.3679 12.3679 12.8610 12.8610 12.8722 12.8722 13.1946 13.1946 k =-0.3543 0.5448 0.5377 ( 4298 PWs) bands (ev): -13.4969 -13.4969 -13.4968 -13.4968 -10.1577 -10.1577 -10.1564 -10.1564 -9.0820 -9.0820 -9.0804 -9.0804 -2.1292 -2.1292 -2.1290 -2.1290 -1.9539 -1.9539 -1.9533 -1.9533 0.6414 0.6414 0.6464 0.6464 0.8085 0.8085 0.8134 0.8134 1.6777 1.6777 1.6891 1.6891 2.3284 2.3284 2.3335 2.3335 3.2965 3.2965 3.2991 3.2991 4.2070 4.2070 4.2092 4.2092 4.5851 4.5851 4.5860 4.5860 12.3151 12.3151 12.3196 12.3196 12.8598 12.8598 12.8705 12.8705 13.2267 13.2267 k =-0.3629 0.5310 0.5377 ( 4302 PWs) bands (ev): -13.4945 -13.4945 -13.4944 -13.4944 -10.1849 -10.1849 -10.1837 -10.1837 -9.0506 -9.0506 -9.0490 -9.0490 -2.0932 -2.0932 -2.0931 -2.0931 -2.0224 -2.0224 -2.0218 -2.0218 0.6610 0.6610 0.6661 0.6661 0.8162 0.8162 0.8207 0.8207 1.6798 1.6798 1.6910 1.6910 2.3387 2.3387 2.3435 2.3435 3.2929 3.2929 3.2953 3.2953 4.1763 4.1763 4.1785 4.1785 4.6172 4.6172 4.6181 4.6181 12.2663 12.2663 12.2707 12.2707 12.8574 12.8574 12.8676 12.8676 13.2604 13.2604 k =-0.3715 0.5171 0.5377 ( 4300 PWs) bands (ev): -13.4922 -13.4922 -13.4921 -13.4921 -10.2106 -10.2106 -10.2094 -10.2094 -9.0200 -9.0200 -9.0185 -9.0185 -2.0888 -2.0888 -2.0880 -2.0880 -2.0590 -2.0590 -2.0587 -2.0587 0.6787 0.6787 0.6838 0.6838 0.8237 0.8237 0.8280 0.8280 1.6828 1.6828 1.6937 1.6937 2.3492 2.3492 2.3539 2.3539 3.2889 3.2889 3.2911 3.2911 4.1472 4.1472 4.1494 4.1494 4.6494 4.6494 4.6503 4.6503 12.2179 12.2179 12.2221 12.2221 12.8545 12.8545 12.8640 12.8640 13.2946 13.2946 k =-0.3800 0.5033 0.5377 ( 4296 PWs) bands (ev): -13.4901 -13.4901 -13.4900 -13.4900 -10.2347 -10.2347 -10.2336 -10.2336 -8.9904 -8.9904 -8.9889 -8.9889 -2.1519 -2.1519 -2.1512 -2.1512 -2.0272 -2.0272 -2.0270 -2.0270 0.6945 0.6945 0.6995 0.6995 0.8311 0.8311 0.8351 0.8351 1.6866 1.6866 1.6971 1.6971 2.3599 2.3599 2.3644 2.3644 3.2847 3.2847 3.2868 3.2868 4.1197 4.1197 4.1218 4.1218 4.6815 4.6815 4.6823 4.6823 12.1706 12.1706 12.1746 12.1746 12.8514 12.8514 12.8604 12.8604 13.3286 13.3286 k =-0.3886 0.4894 0.5377 ( 4292 PWs) bands (ev): -13.4880 -13.4880 -13.4880 -13.4880 -10.2573 -10.2573 -10.2562 -10.2562 -8.9620 -8.9620 -8.9606 -8.9606 -2.2122 -2.2122 -2.2114 -2.2114 -1.9975 -1.9975 -1.9973 -1.9973 0.7085 0.7085 0.7133 0.7133 0.8383 0.8383 0.8420 0.8420 1.6909 1.6909 1.7010 1.7010 2.3706 2.3706 2.3748 2.3748 3.2803 3.2803 3.2823 3.2823 4.0939 4.0939 4.0960 4.0960 4.7132 4.7132 4.7140 4.7140 12.1249 12.1249 12.1287 12.1287 12.8488 12.8488 12.8571 12.8571 13.3619 13.3619 k =-0.3972 0.4756 0.5377 ( 4296 PWs) bands (ev): -13.4862 -13.4862 -13.4861 -13.4861 -10.2783 -10.2783 -10.2773 -10.2773 -8.9348 -8.9348 -8.9335 -8.9335 -2.2692 -2.2692 -2.2684 -2.2684 -1.9699 -1.9699 -1.9696 -1.9696 0.7208 0.7208 0.7254 0.7254 0.8453 0.8453 0.8487 0.8487 1.6956 1.6956 1.7052 1.7052 2.3812 2.3812 2.3852 2.3852 3.2758 3.2758 3.2776 3.2776 4.0698 4.0698 4.0718 4.0718 4.7442 4.7442 4.7450 4.7450 12.0814 12.0814 12.0849 12.0849 12.8468 12.8468 12.8546 12.8546 13.3939 13.3939 k =-0.4057 0.4617 0.5377 ( 4300 PWs) bands (ev): -13.4845 -13.4845 -13.4844 -13.4844 -10.2977 -10.2977 -10.2968 -10.2968 -8.9091 -8.9091 -8.9079 -8.9079 -2.3227 -2.3227 -2.3219 -2.3219 -1.9444 -1.9444 -1.9442 -1.9442 0.7316 0.7316 0.7359 0.7359 0.8520 0.8520 0.8551 0.8551 1.7007 1.7007 1.7097 1.7097 2.3915 2.3915 2.3952 2.3952 3.2712 3.2712 3.2729 3.2729 4.0476 4.0476 4.0495 4.0495 4.7742 4.7742 4.7749 4.7749 12.0403 12.0403 12.0436 12.0436 12.8460 12.8460 12.8532 12.8532 13.4243 13.4243 k =-0.4143 0.4479 0.5377 ( 4304 PWs) bands (ev): -13.4829 -13.4829 -13.4828 -13.4828 -10.3155 -10.3155 -10.3146 -10.3146 -8.8851 -8.8851 -8.8839 -8.8839 -2.3724 -2.3724 -2.3717 -2.3717 -1.9211 -1.9211 -1.9209 -1.9209 0.7409 0.7409 0.7450 0.7450 0.8583 0.8583 0.8611 0.8611 1.7058 1.7058 1.7142 1.7142 2.4014 2.4014 2.4049 2.4049 3.2666 3.2666 3.2682 3.2682 4.0272 4.0272 4.0290 4.0290 4.8030 4.8030 4.8036 4.8036 12.0021 12.0021 12.0051 12.0051 12.8463 12.8463 12.8529 12.8529 13.4528 13.4528 k =-0.4229 0.4341 0.5377 ( 4306 PWs) bands (ev): -13.4815 -13.4815 -13.4814 -13.4814 -10.3316 -10.3316 -10.3308 -10.3308 -8.8628 -8.8628 -8.8617 -8.8617 -2.4181 -2.4181 -2.4174 -2.4174 -1.8999 -1.8999 -1.8997 -1.8997 0.7489 0.7489 0.7527 0.7527 0.8642 0.8642 0.8668 0.8668 1.7110 1.7110 1.7186 1.7186 2.4108 2.4108 2.4140 2.4140 3.2622 3.2622 3.2636 3.2636 4.0087 4.0087 4.0104 4.0104 4.8301 4.8301 4.8306 4.8306 11.9668 11.9668 11.9695 11.9695 12.8480 12.8480 12.8540 12.8540 13.4791 13.4791 k =-0.4314 0.4202 0.5377 ( 4306 PWs) bands (ev): -13.4802 -13.4802 -13.4801 -13.4801 -10.3460 -10.3460 -10.3454 -10.3454 -8.8423 -8.8423 -8.8414 -8.8414 -2.4596 -2.4596 -2.4590 -2.4590 -1.8810 -1.8810 -1.8808 -1.8808 0.7558 0.7558 0.7592 0.7592 0.8697 0.8697 0.8720 0.8720 1.7159 1.7159 1.7229 1.7229 2.4195 2.4195 2.4225 2.4225 3.2579 3.2579 3.2592 3.2592 3.9921 3.9921 3.9936 3.9936 4.8552 4.8552 4.8558 4.8558 11.9348 11.9348 11.9372 11.9372 12.8510 12.8510 12.8564 12.8564 13.5031 13.5032 k =-0.4400 0.4064 0.5377 ( 4302 PWs) bands (ev): -13.4790 -13.4790 -13.4790 -13.4790 -10.3588 -10.3588 -10.3583 -10.3583 -8.8240 -8.8240 -8.8231 -8.8231 -2.4968 -2.4968 -2.4962 -2.4962 -1.8642 -1.8642 -1.8641 -1.8641 0.7616 0.7616 0.7647 0.7647 0.8747 0.8747 0.8767 0.8767 1.7207 1.7207 1.7268 1.7268 2.4276 2.4276 2.4302 2.4302 3.2539 3.2539 3.2550 3.2550 3.9775 3.9775 3.9788 3.9788 4.8783 4.8783 4.8787 4.8787 11.9062 11.9062 11.9083 11.9083 12.8551 12.8551 12.8599 12.8599 13.5245 13.5246 k =-0.4486 0.3925 0.5377 ( 4298 PWs) bands (ev): -13.4780 -13.4780 -13.4780 -13.4780 -10.3699 -10.3699 -10.3695 -10.3695 -8.8078 -8.8078 -8.8070 -8.8070 -2.5294 -2.5294 -2.5289 -2.5289 -1.8497 -1.8497 -1.8496 -1.8496 0.7665 0.7665 0.7691 0.7691 0.8791 0.8791 0.8808 0.8808 1.7250 1.7250 1.7304 1.7304 2.4347 2.4347 2.4370 2.4370 3.2502 3.2502 3.2512 3.2512 3.9648 3.9648 3.9660 3.9660 4.8988 4.8988 4.8992 4.8992 11.8811 11.8811 11.8829 11.8829 12.8601 12.8601 12.8642 12.8642 13.5433 13.5434 k =-0.4572 0.3787 0.5377 ( 4302 PWs) bands (ev): -13.4772 -13.4772 -13.4772 -13.4772 -10.3794 -10.3794 -10.3789 -10.3789 -8.7938 -8.7938 -8.7932 -8.7932 -2.5572 -2.5572 -2.5568 -2.5568 -1.8374 -1.8374 -1.8373 -1.8373 0.7705 0.7705 0.7727 0.7727 0.8830 0.8830 0.8844 0.8844 1.7289 1.7289 1.7334 1.7334 2.4410 2.4410 2.4429 2.4429 3.2470 3.2470 3.2478 3.2478 3.9541 3.9541 3.9551 3.9551 4.9166 4.9166 4.9170 4.9170 11.8597 11.8597 11.8613 11.8613 12.8657 12.8657 12.8691 12.8691 13.5593 13.5594 k =-0.4657 0.3648 0.5377 ( 4308 PWs) bands (ev): -13.4765 -13.4765 -13.4765 -13.4765 -10.3871 -10.3871 -10.3867 -10.3867 -8.7823 -8.7823 -8.7818 -8.7818 -2.5802 -2.5802 -2.5798 -2.5798 -1.8273 -1.8273 -1.8272 -1.8272 0.7737 0.7737 0.7755 0.7755 0.8862 0.8862 0.8873 0.8873 1.7323 1.7323 1.7359 1.7359 2.4463 2.4463 2.4478 2.4478 3.2442 3.2442 3.2449 3.2449 3.9453 3.9453 3.9461 3.9461 4.9315 4.9315 4.9318 4.9318 11.8421 11.8421 11.8433 11.8433 12.8713 12.8713 12.8741 12.8741 13.5725 13.5726 k =-0.4743 0.3510 0.5377 ( 4308 PWs) bands (ev): -13.4760 -13.4760 -13.4760 -13.4760 -10.3931 -10.3931 -10.3928 -10.3928 -8.7732 -8.7732 -8.7728 -8.7728 -2.5981 -2.5981 -2.5979 -2.5979 -1.8195 -1.8195 -1.8194 -1.8194 0.7762 0.7762 0.7775 0.7775 0.8888 0.8888 0.8896 0.8896 1.7351 1.7351 1.7378 1.7378 2.4505 2.4505 2.4517 2.4517 3.2421 3.2421 3.2426 3.2426 3.9385 3.9385 3.9391 3.9391 4.9433 4.9433 4.9436 4.9436 11.8284 11.8284 11.8293 11.8293 12.8765 12.8765 12.8786 12.8786 13.5828 13.5829 k =-0.4829 0.3371 0.5377 ( 4320 PWs) bands (ev): -13.4756 -13.4756 -13.4756 -13.4756 -10.3973 -10.3973 -10.3972 -10.3972 -8.7666 -8.7666 -8.7663 -8.7663 -2.6110 -2.6110 -2.6108 -2.6108 -1.8139 -1.8139 -1.8138 -1.8138 0.7780 0.7780 0.7789 0.7789 0.8907 0.8907 0.8912 0.8912 1.7372 1.7372 1.7391 1.7391 2.4536 2.4536 2.4544 2.4544 3.2405 3.2405 3.2408 3.2408 3.9337 3.9337 3.9341 3.9341 4.9519 4.9519 4.9520 4.9520 11.8186 11.8186 11.8192 11.8192 12.8808 12.8808 12.8822 12.8822 13.5902 13.5902 k =-0.4914 0.3233 0.5377 ( 4320 PWs) bands (ev): -13.4754 -13.4754 -13.4754 -13.4754 -10.3999 -10.3999 -10.3998 -10.3998 -8.7626 -8.7626 -8.7625 -8.7625 -2.6188 -2.6188 -2.6187 -2.6187 -1.8105 -1.8105 -1.8105 -1.8105 0.7792 0.7792 0.7796 0.7796 0.8919 0.8919 0.8922 0.8922 1.7387 1.7387 1.7396 1.7396 2.4555 2.4555 2.4560 2.4560 3.2396 3.2396 3.2397 3.2397 3.9308 3.9308 3.9310 3.9310 4.9571 4.9571 4.9572 4.9572 11.8127 11.8127 11.8130 11.8130 12.8837 12.8837 12.8844 12.8844 13.5946 13.5947 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4753 -13.4753 -13.4753 -13.4753 -10.4007 -10.4007 -10.4007 -10.4007 -8.7612 -8.7612 -8.7612 -8.7612 -2.6213 -2.6213 -2.6213 -2.6213 -1.8094 -1.8094 -1.8094 -1.8094 0.7797 0.7797 0.7797 0.7797 0.8924 0.8924 0.8924 0.8924 1.7395 1.7395 1.7395 1.7395 2.4563 2.4563 2.4563 2.4563 3.2393 3.2393 3.2393 3.2393 3.9300 3.9300 3.9300 3.9300 4.9588 4.9588 4.9588 4.9588 11.8109 11.8109 11.8109 11.8109 12.8849 12.8849 12.8849 12.8849 13.5961 13.5961 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4753 -13.4753 -13.4753 -13.4753 -10.4007 -10.4007 -10.4007 -10.4007 -8.7612 -8.7612 -8.7612 -8.7612 -2.6213 -2.6213 -2.6213 -2.6213 -1.8094 -1.8094 -1.8094 -1.8094 0.7797 0.7797 0.7797 0.7797 0.8924 0.8924 0.8924 0.8924 1.7395 1.7395 1.7395 1.7395 2.4563 2.4563 2.4563 2.4563 3.2393 3.2393 3.2393 3.2393 3.9300 3.9300 3.9300 3.9300 4.9588 4.9588 4.9588 4.9588 11.8109 11.8109 11.8109 11.8109 12.8849 12.8849 12.8849 12.8849 13.5961 13.5961 k =-0.5000 0.3095 0.5214 ( 4320 PWs) bands (ev): -13.4800 -13.4800 -13.4706 -13.4706 -10.4578 -10.4578 -10.3424 -10.3424 -8.7694 -8.7694 -8.7533 -8.7533 -2.6288 -2.6288 -2.6108 -2.6108 -1.8434 -1.8434 -1.7775 -1.7775 0.6762 0.6762 0.8821 0.8821 0.8855 0.8855 0.8981 0.8981 1.7125 1.7125 1.7692 1.7692 2.4520 2.4520 2.4592 2.4592 3.2350 3.2350 3.2405 3.2405 3.8930 3.8930 3.9670 3.9670 4.9588 4.9588 4.9598 4.9598 11.8093 11.8093 11.8208 11.8208 12.8771 12.8771 12.8896 12.8896 13.5548 13.5548 k =-0.5000 0.3095 0.5051 ( 4324 PWs) bands (ev): -13.4848 -13.4848 -13.4659 -13.4659 -10.5138 -10.5138 -10.2832 -10.2832 -8.7776 -8.7776 -8.7455 -8.7455 -2.6332 -2.6332 -2.5972 -2.5972 -1.8796 -1.8796 -1.7476 -1.7476 0.5733 0.5733 0.8758 0.8758 0.9022 0.9022 0.9835 0.9835 1.6894 1.6894 1.8008 1.8008 2.4463 2.4463 2.4605 2.4605 3.2282 3.2282 3.2379 3.2379 3.8567 3.8567 4.0038 4.0038 4.9597 4.9597 4.9616 4.9616 11.8163 11.8163 11.8388 11.8388 12.8667 12.8667 12.8906 12.8906 13.5124 13.5124 k =-0.5000 0.3095 0.4888 ( 4324 PWs) bands (ev): -13.4897 -13.4897 -13.4614 -13.4614 -10.5684 -10.5684 -10.2229 -10.2229 -8.7861 -8.7861 -8.7380 -8.7380 -2.6345 -2.6345 -2.5806 -2.5806 -1.9182 -1.9182 -1.7196 -1.7196 0.4718 0.4718 0.8647 0.8647 0.9048 0.9048 1.0795 1.0795 1.6726 1.6726 1.8337 1.8337 2.4393 2.4393 2.4601 2.4601 3.2194 3.2194 3.2311 3.2311 3.8214 3.8214 4.0400 4.0400 4.9616 4.9616 4.9643 4.9643 11.8319 11.8319 11.8646 11.8646 12.8541 12.8541 12.8875 12.8875 13.4694 13.4694 k =-0.5000 0.3095 0.4725 ( 4316 PWs) bands (ev): -13.4945 -13.4945 -13.4569 -13.4569 -10.6218 -10.6218 -10.1618 -10.1618 -8.7946 -8.7946 -8.7307 -8.7307 -2.6326 -2.6326 -2.5611 -2.5611 -1.9593 -1.9593 -1.6933 -1.6933 0.3724 0.3724 0.8515 0.8515 0.9059 0.9059 1.1666 1.1666 1.6658 1.6658 1.8676 1.8676 2.4311 2.4311 2.4582 2.4582 3.2092 3.2092 3.2197 3.2197 3.7876 3.7876 4.0752 4.0752 4.9646 4.9646 4.9676 4.9676 11.8561 11.8561 11.8978 11.8978 12.8399 12.8399 12.8802 12.8802 13.4263 13.4263 k =-0.5000 0.3095 0.4563 ( 4324 PWs) bands (ev): -13.4993 -13.4993 -13.4525 -13.4525 -10.6738 -10.6738 -10.1000 -10.1000 -8.8032 -8.8032 -8.7237 -8.7237 -2.6277 -2.6277 -2.5387 -2.5387 -2.0030 -2.0030 -1.6687 -1.6687 0.2756 0.2756 0.8360 0.8360 0.9055 0.9055 1.2384 1.2384 1.6751 1.6751 1.9022 1.9022 2.4218 2.4218 2.4546 2.4546 3.1981 3.1981 3.2033 3.2033 3.7557 3.7557 4.1093 4.1093 4.9687 4.9687 4.9717 4.9717 11.8889 11.8889 11.9377 11.9377 12.8245 12.8245 12.8684 12.8684 13.3838 13.3838 k =-0.5000 0.3095 0.4400 ( 4318 PWs) bands (ev): -13.5041 -13.5041 -13.4482 -13.4482 -10.7244 -10.7244 -10.0375 -10.0375 -8.8119 -8.8119 -8.7170 -8.7170 -2.6197 -2.6197 -2.5134 -2.5134 -2.0492 -2.0492 -1.6457 -1.6457 0.1819 0.1819 0.8180 0.8180 0.9036 0.9036 1.2879 1.2879 1.7072 1.7072 1.9372 1.9372 2.4115 2.4115 2.4495 2.4495 3.1818 3.1818 3.1866 3.1866 3.7260 3.7260 4.1421 4.1421 4.9739 4.9739 4.9763 4.9763 11.9301 11.9301 11.9838 11.9838 12.8085 12.8085 12.8524 12.8524 13.3423 13.3423 k =-0.5000 0.3095 0.4237 ( 4308 PWs) bands (ev): -13.5089 -13.5089 -13.4440 -13.4440 -10.7734 -10.7734 -9.9744 -9.9744 -8.8206 -8.8206 -8.7105 -8.7105 -2.6087 -2.6087 -2.4854 -2.4854 -2.0982 -2.0982 -1.6241 -1.6241 0.0918 0.0918 0.7974 0.7974 0.9002 0.9002 1.3129 1.3129 1.7638 1.7638 1.9725 1.9725 2.4003 2.4003 2.4429 2.4429 3.1556 3.1556 3.1750 3.1750 3.6987 3.6987 4.1734 4.1734 4.9803 4.9803 4.9816 4.9816 11.9795 11.9795 12.0353 12.0353 12.7920 12.7920 12.8324 12.8324 13.3027 13.3027 k =-0.5000 0.3095 0.4074 ( 4306 PWs) bands (ev): -13.5137 -13.5137 -13.4399 -13.4399 -10.8210 -10.8210 -9.9110 -9.9110 -8.8293 -8.8293 -8.7043 -8.7043 -2.5946 -2.5946 -2.4548 -2.4548 -2.1498 -2.1498 -1.6038 -1.6038 0.0055 0.0055 0.7740 0.7740 0.8951 0.8951 1.3185 1.3185 1.8397 1.8397 2.0080 2.0080 2.3882 2.3882 2.4351 2.4351 3.1248 3.1248 3.1637 3.1637 3.6735 3.6735 4.2031 4.2031 4.9870 4.9870 4.9884 4.9884 12.0368 12.0368 12.0911 12.0911 12.7756 12.7756 12.8090 12.8090 13.2658 13.2658 k =-0.5000 0.3095 0.3911 ( 4310 PWs) bands (ev): -13.5184 -13.5184 -13.4359 -13.4359 -10.8669 -10.8669 -9.8472 -9.8472 -8.8380 -8.8380 -8.6984 -8.6984 -2.5776 -2.5776 -2.4215 -2.4215 -2.2041 -2.2041 -1.5849 -1.5849 -0.0767 -0.0767 0.7476 0.7476 0.8884 0.8884 1.3118 1.3118 1.9272 1.9272 2.0435 2.0435 2.3754 2.3754 2.4263 2.4263 3.0902 3.0902 3.1530 3.1530 3.6504 3.6504 4.2312 4.2312 4.9932 4.9932 4.9973 4.9973 12.1017 12.1017 12.1501 12.1501 12.7593 12.7593 12.7827 12.7827 13.2326 13.2326 k =-0.5000 0.3095 0.3748 ( 4310 PWs) bands (ev): -13.5231 -13.5231 -13.4321 -13.4321 -10.9113 -10.9113 -9.7834 -9.7834 -8.8466 -8.8466 -8.6928 -8.6928 -2.5577 -2.5577 -2.3858 -2.3858 -2.2608 -2.2608 -1.5671 -1.5671 -0.1545 -0.1545 0.7180 0.7180 0.8798 0.8798 1.2981 1.2981 2.0205 2.0205 2.0790 2.0790 2.3620 2.3620 2.4168 2.4168 3.0524 3.0524 3.1431 3.1431 3.6290 3.6290 4.2575 4.2575 4.9998 4.9998 5.0076 5.0076 12.1737 12.1737 12.2108 12.2108 12.7434 12.7434 12.7545 12.7545 13.2043 13.2043 k =-0.5000 0.3095 0.3585 ( 4306 PWs) bands (ev): -13.5276 -13.5276 -13.4284 -13.4284 -10.9540 -10.9540 -9.7195 -9.7195 -8.8551 -8.8551 -8.6875 -8.6875 -2.5349 -2.5349 -2.3478 -2.3478 -2.3199 -2.3199 -1.5505 -1.5505 -0.2279 -0.2279 0.6851 0.6851 0.8692 0.8692 1.2807 1.2807 2.1090 2.1090 2.1214 2.1214 2.3481 2.3481 2.4069 2.4069 3.0122 3.0122 3.1340 3.1340 3.6090 3.6090 4.2821 4.2821 5.0066 5.0066 5.0192 5.0192 12.2525 12.2525 12.2714 12.2714 12.7225 12.7225 12.7303 12.7303 13.1824 13.1824 k =-0.5000 0.3095 0.3422 ( 4310 PWs) bands (ev): -13.5321 -13.5321 -13.4249 -13.4249 -10.9950 -10.9950 -9.6559 -9.6559 -8.8635 -8.8635 -8.6825 -8.6825 -2.5095 -2.5095 -2.3813 -2.3813 -2.3075 -2.3075 -1.5350 -1.5350 -0.2967 -0.2967 0.6489 0.6489 0.8566 0.8566 1.2614 1.2614 2.1472 2.1472 2.2140 2.2140 2.3336 2.3336 2.3970 2.3970 2.9705 2.9705 3.1258 3.1258 3.5902 3.5902 4.3049 4.3049 5.0136 5.0136 5.0322 5.0322 12.3292 12.3292 12.3379 12.3379 12.6920 12.6920 12.7158 12.7158 13.1689 13.1689 k =-0.5000 0.3095 0.3259 ( 4314 PWs) bands (ev): -13.5365 -13.5365 -13.4214 -13.4214 -11.0343 -11.0343 -9.5926 -9.5926 -8.8717 -8.8717 -8.6778 -8.6778 -2.4813 -2.4813 -2.4443 -2.4443 -2.2652 -2.2652 -1.5205 -1.5205 -0.3610 -0.3610 0.6093 0.6093 0.8417 0.8417 1.2412 1.2412 2.1814 2.1814 2.3091 2.3091 2.3189 2.3189 2.3873 2.3873 2.9280 2.9280 3.1185 3.1185 3.5722 3.5722 4.3260 4.3260 5.0208 5.0208 5.0465 5.0465 12.3826 12.3826 12.4284 12.4284 12.6603 12.6603 12.7031 12.7031 13.1659 13.1659 k =-0.5000 0.3095 0.3096 ( 4310 PWs) bands (ev): -13.5408 -13.5408 -13.4182 -13.4182 -11.0719 -11.0719 -9.5299 -9.5299 -8.8798 -8.8798 -8.6734 -8.6734 -2.5090 -2.5090 -2.4506 -2.4506 -2.2209 -2.2209 -1.5070 -1.5070 -0.4208 -0.4208 0.5665 0.5665 0.8244 0.8244 1.2208 1.2208 2.2147 2.2147 2.3039 2.3039 2.3781 2.3781 2.4024 2.4024 2.8855 2.8855 3.1120 3.1120 3.5549 3.5549 4.3454 4.3454 5.0282 5.0282 5.0621 5.0621 12.4282 12.4282 12.5240 12.5240 12.6286 12.6286 12.6918 12.6918 13.1755 13.1755 k =-0.5000 0.3095 0.2933 ( 4310 PWs) bands (ev): -13.5449 -13.5449 -13.4151 -13.4151 -11.1076 -11.1076 -9.4679 -9.4679 -8.8876 -8.8876 -8.6693 -8.6693 -2.5747 -2.5747 -2.4176 -2.4176 -2.1750 -2.1750 -1.4944 -1.4944 -0.4761 -0.4761 0.5205 0.5205 0.8047 0.8047 1.2006 1.2006 2.2471 2.2471 2.2889 2.2889 2.3698 2.3698 2.4929 2.4929 2.8436 2.8436 3.1063 3.1063 3.5381 3.5381 4.3631 4.3631 5.0356 5.0356 5.0790 5.0790 12.4641 12.4641 12.5969 12.5969 12.6241 12.6241 12.6821 12.6821 13.1993 13.1993 k =-0.5000 0.3095 0.2770 ( 4310 PWs) bands (ev): -13.5489 -13.5489 -13.4121 -13.4121 -11.1416 -11.1416 -9.4070 -9.4070 -8.8952 -8.8952 -8.6655 -8.6655 -2.6410 -2.6410 -2.3824 -2.3824 -2.1276 -2.1276 -1.4827 -1.4827 -0.5271 -0.5271 0.4715 0.4715 0.7824 0.7824 1.1808 1.1808 2.2730 2.2730 2.2797 2.2797 2.3624 2.3624 2.5801 2.5801 2.8027 2.8027 3.1012 3.1012 3.5219 3.5219 4.3792 4.3792 5.0430 5.0430 5.0971 5.0971 12.4893 12.4893 12.5663 12.5663 12.6738 12.6738 12.7275 12.7275 13.2377 13.2377 k =-0.5000 0.3095 0.2607 ( 4306 PWs) bands (ev): -13.5527 -13.5527 -13.4093 -13.4093 -11.1737 -11.1737 -9.3473 -9.3473 -8.9025 -8.9025 -8.6620 -8.6620 -2.7076 -2.7076 -2.3451 -2.3451 -2.0789 -2.0789 -1.4719 -1.4719 -0.5739 -0.5739 0.4199 0.4199 0.7575 0.7575 1.1617 1.1617 2.2589 2.2589 2.3094 2.3094 2.3562 2.3562 2.6636 2.6636 2.7634 2.7634 3.0968 3.0968 3.5060 3.5060 4.3937 4.3937 5.0504 5.0504 5.1162 5.1162 12.5043 12.5043 12.5367 12.5367 12.6676 12.6676 12.8331 12.8331 13.2894 13.2894 k =-0.5000 0.3095 0.2444 ( 4302 PWs) bands (ev): -13.5564 -13.5564 -13.4067 -13.4067 -11.2040 -11.2040 -9.2890 -9.2890 -8.9095 -8.9095 -8.6587 -8.6587 -2.7737 -2.7737 -2.3060 -2.3060 -2.0291 -2.0291 -1.4619 -1.4619 -0.6168 -0.6168 0.3660 0.3660 0.7302 0.7302 1.1434 1.1434 2.2446 2.2446 2.3385 2.3385 2.3514 2.3514 2.7257 2.7257 2.7433 2.7433 3.0928 3.0928 3.4906 3.4906 4.4067 4.4067 5.0576 5.0576 5.1362 5.1362 12.5061 12.5061 12.5129 12.5129 12.6632 12.6632 12.9400 12.9400 13.3520 13.3520 k =-0.5000 0.3095 0.2281 ( 4304 PWs) bands (ev): -13.5599 -13.5599 -13.4042 -13.4042 -11.2325 -11.2325 -9.2326 -9.2326 -8.9162 -8.9162 -8.6557 -8.6557 -2.8390 -2.8390 -2.2653 -2.2653 -1.9787 -1.9787 -1.4527 -1.4527 -0.6558 -0.6558 0.3101 0.3101 0.7003 0.7003 1.1260 1.1260 2.2309 2.2309 2.3472 2.3472 2.3671 2.3671 2.6907 2.6907 2.8179 2.8179 3.0893 3.0893 3.4757 3.4757 4.4182 4.4182 5.0646 5.0646 5.1571 5.1571 12.4802 12.4802 12.5120 12.5120 12.6607 12.6607 13.0466 13.0466 13.4227 13.4227 k =-0.5000 0.3095 0.2118 ( 4298 PWs) bands (ev): -13.5632 -13.5632 -13.4019 -13.4019 -11.2590 -11.2590 -9.1781 -9.1781 -8.9225 -8.9225 -8.6530 -8.6530 -2.9030 -2.9030 -2.2233 -2.2233 -1.9279 -1.9279 -1.4442 -1.4442 -0.6912 -0.6912 0.2527 0.2527 0.6683 0.6683 1.1096 1.1096 2.2179 2.2179 2.3447 2.3447 2.3937 2.3937 2.6578 2.6578 2.8880 2.8880 3.0861 3.0861 3.4613 3.4613 4.4285 4.4285 5.0715 5.0715 5.1785 5.1785 12.4546 12.4546 12.5080 12.5080 12.6602 12.6602 13.1511 13.1511 13.4986 13.4986 k =-0.5000 0.3095 0.1955 ( 4294 PWs) bands (ev): -13.5663 -13.5663 -13.3998 -13.3998 -11.2837 -11.2837 -9.1260 -9.1260 -8.9285 -8.9285 -8.6505 -8.6505 -2.9649 -2.9649 -2.1804 -2.1804 -1.8771 -1.8771 -1.4365 -1.4365 -0.7232 -0.7232 0.1945 0.1945 0.6343 0.6343 1.0943 1.0943 2.2059 2.2059 2.3432 2.3432 2.4189 2.4189 2.6273 2.6273 2.9531 2.9531 3.0832 3.0832 3.4475 3.4475 4.4374 4.4374 5.0780 5.0780 5.2002 5.2002 12.4306 12.4306 12.5013 12.5013 12.6618 12.6618 13.2510 13.2510 13.5202 13.5202 k =-0.5000 0.3095 0.1792 ( 4292 PWs) bands (ev): -13.5692 -13.5692 -13.3978 -13.3978 -11.3064 -11.3064 -9.0765 -9.0765 -8.9341 -8.9341 -8.6483 -8.6483 -3.0244 -3.0244 -2.1369 -2.1369 -1.8266 -1.8266 -1.4295 -1.4295 -0.7519 -0.7519 0.1359 0.1359 0.5988 0.5988 1.0800 1.0800 2.1949 2.1949 2.3427 2.3427 2.4425 2.4425 2.5994 2.5994 3.0132 3.0132 3.0805 3.0805 3.4344 3.4344 4.4452 4.4452 5.0842 5.0842 5.2219 5.2219 12.4083 12.4083 12.4932 12.4932 12.6654 12.6654 13.3434 13.3434 13.5000 13.5000 k =-0.5000 0.3095 0.1629 ( 4286 PWs) bands (ev): -13.5719 -13.5719 -13.3960 -13.3960 -11.3272 -11.3272 -9.0299 -9.0299 -8.9392 -8.9392 -8.6462 -8.6462 -3.0808 -3.0808 -2.0933 -2.0933 -1.7771 -1.7771 -1.4231 -1.4231 -0.7776 -0.7776 0.0777 0.0777 0.5623 0.5623 1.0669 1.0669 2.1851 2.1851 2.3431 2.3431 2.4644 2.4644 2.5739 2.5739 3.0680 3.0680 3.0781 3.0781 3.4220 3.4220 4.4520 4.4520 5.0901 5.0901 5.2434 5.2434 12.3878 12.3878 12.4844 12.4844 12.6711 12.6711 13.4247 13.4247 13.4798 13.4798 k =-0.5000 0.3095 0.1467 ( 4286 PWs) bands (ev): -13.5743 -13.5743 -13.3944 -13.3944 -11.3460 -11.3460 -8.9865 -8.9865 -8.9440 -8.9440 -8.6445 -8.6445 -3.1337 -3.1337 -2.0501 -2.0501 -1.7290 -1.7290 -1.4175 -1.4175 -0.8004 -0.8004 0.0206 0.0206 0.5254 0.5254 1.0549 1.0549 2.1765 2.1765 2.3441 2.3441 2.4846 2.4846 2.5509 2.5509 3.0757 3.0757 3.1177 3.1177 3.4105 3.4105 4.4577 4.4577 5.0955 5.0955 5.2643 5.2643 12.3692 12.3692 12.4756 12.4756 12.6786 12.6786 13.4598 13.4598 13.4922 13.4922 k =-0.5000 0.3095 0.1304 ( 4286 PWs) bands (ev): -13.5765 -13.5765 -13.3929 -13.3929 -11.3629 -11.3629 -8.9487 -8.9487 -8.9463 -8.9463 -8.6429 -8.6429 -3.1825 -3.1825 -2.0079 -2.0079 -1.6830 -1.6830 -1.4124 -1.4124 -0.8204 -0.8204 -0.0346 -0.0346 0.4889 0.4889 1.0442 1.0442 2.1690 2.1690 2.3456 2.3456 2.5028 2.5028 2.5304 2.5304 3.0735 3.0735 3.1620 3.1620 3.4000 3.4000 4.4626 4.4626 5.1005 5.1005 5.2842 5.2842 12.3526 12.3526 12.4672 12.4672 12.6878 12.6878 13.4408 13.4408 13.5444 13.5444 k =-0.5000 0.3095 0.1141 ( 4286 PWs) bands (ev): -13.5785 -13.5785 -13.3916 -13.3916 -11.3779 -11.3779 -8.9521 -8.9521 -8.9107 -8.9107 -8.6415 -8.6415 -3.2268 -3.2268 -1.9674 -1.9674 -1.6397 -1.6397 -1.4080 -1.4080 -0.8377 -0.8377 -0.0870 -0.0870 0.4534 0.4534 1.0346 1.0346 2.1628 2.1628 2.3475 2.3475 2.5118 2.5118 2.5197 2.5197 3.0716 3.0716 3.2009 3.2009 3.3905 3.3905 4.4666 4.4666 5.1049 5.1049 5.3028 5.3028 12.3378 12.3378 12.4594 12.4594 12.6985 12.6985 13.4228 13.4228 13.5820 13.5820 k =-0.5000 0.3095 0.0978 ( 4282 PWs) bands (ev): -13.5802 -13.5802 -13.3905 -13.3905 -11.3908 -11.3908 -8.9554 -8.9554 -8.8788 -8.8788 -8.6403 -8.6403 -3.2662 -3.2662 -1.9295 -1.9295 -1.5999 -1.5999 -1.4042 -1.4042 -0.8525 -0.8525 -0.1356 -0.1356 0.4200 0.4200 1.0263 1.0263 2.1578 2.1578 2.3496 2.3496 2.4964 2.4964 2.5337 2.5337 3.0698 3.0698 3.2346 3.2346 3.3820 3.3820 4.4700 4.4700 5.1089 5.1089 5.3198 5.3198 12.3251 12.3251 12.4525 12.4525 12.7102 12.7102 13.4064 13.4064 13.5383 13.5383 k =-0.5000 0.3095 0.0815 ( 4266 PWs) bands (ev): -13.5817 -13.5817 -13.3895 -13.3895 -11.4018 -11.4018 -8.9582 -8.9582 -8.8514 -8.8514 -8.6393 -8.6393 -3.3002 -3.3002 -1.8950 -1.8950 -1.5642 -1.5642 -1.4010 -1.4010 -0.8649 -0.8649 -0.1794 -0.1794 0.3895 0.3895 1.0193 1.0193 2.1537 2.1537 2.3516 2.3516 2.4831 2.4831 2.5459 2.5459 3.0683 3.0683 3.2629 3.2629 3.3748 3.3748 4.4727 4.4727 5.1123 5.1123 5.3349 5.3349 12.3143 12.3143 12.4466 12.4466 12.7225 12.7225 13.3919 13.3919 13.4907 13.4907 k =-0.5000 0.3095 0.0652 ( 4262 PWs) bands (ev): -13.5829 -13.5829 -13.3888 -13.3888 -11.4108 -11.4108 -8.9606 -8.9606 -8.8285 -8.8285 -8.6386 -8.6386 -3.3286 -3.3286 -1.8649 -1.8649 -1.5337 -1.5337 -1.3984 -1.3984 -0.8749 -0.8749 -0.2173 -0.2173 0.3629 0.3629 1.0135 1.0135 2.1506 2.1506 2.3535 2.3535 2.4722 2.4722 2.5560 2.5560 3.0670 3.0670 3.2860 3.2860 3.3688 3.3688 4.4748 4.4748 5.1151 5.1151 5.3476 5.3476 12.3055 12.3055 12.4417 12.4417 12.7346 12.7346 13.3794 13.3794 13.4493 13.4493 k =-0.5000 0.3095 0.0489 ( 4258 PWs) bands (ev): -13.5838 -13.5838 -13.3882 -13.3882 -11.4178 -11.4178 -8.9624 -8.9624 -8.8105 -8.8105 -8.6379 -8.6379 -3.3510 -3.3510 -1.8401 -1.8401 -1.5089 -1.5089 -1.3964 -1.3964 -0.8826 -0.8826 -0.2482 -0.2482 0.3411 0.3411 1.0090 1.0090 2.1484 2.1484 2.3551 2.3551 2.4637 2.4637 2.5639 2.5639 3.0659 3.0659 3.3040 3.3040 3.3640 3.3640 4.4763 4.4763 5.1173 5.1173 5.3578 5.3578 12.2986 12.2986 12.4378 12.4378 12.7455 12.7455 13.3691 13.3691 13.4154 13.4154 k =-0.5000 0.3095 0.0326 ( 4274 PWs) bands (ev): -13.5845 -13.5845 -13.3877 -13.3877 -11.4228 -11.4228 -8.9637 -8.9637 -8.7976 -8.7976 -8.6375 -8.6375 -3.3671 -3.3671 -1.8216 -1.8216 -1.4906 -1.4906 -1.3949 -1.3949 -0.8881 -0.8881 -0.2712 -0.2712 0.3248 0.3248 1.0058 1.0058 2.1468 2.1468 2.3563 2.3563 2.4575 2.4575 2.5695 2.5695 3.0652 3.0652 3.3167 3.3167 3.3606 3.3606 4.4774 4.4774 5.1189 5.1189 5.3653 5.3653 12.2937 12.2937 12.4350 12.4350 12.7544 12.7544 13.3611 13.3611 13.3906 13.3906 k =-0.5000 0.3095 0.0163 ( 4278 PWs) bands (ev): -13.5849 -13.5849 -13.3875 -13.3875 -11.4258 -11.4258 -8.9645 -8.9645 -8.7897 -8.7897 -8.6372 -8.6372 -3.3769 -3.3769 -1.8102 -1.8102 -1.4794 -1.4794 -1.3941 -1.3941 -0.8914 -0.8914 -0.2853 -0.2853 0.3148 0.3148 1.0039 1.0039 2.1460 2.1460 2.3570 2.3570 2.4539 2.4539 2.5730 2.5730 3.0647 3.0647 3.3244 3.3244 3.3586 3.3586 4.4781 4.4781 5.1198 5.1198 5.3698 5.3698 12.2908 12.2908 12.4334 12.4334 12.7603 12.7603 13.3553 13.3553 13.3759 13.3759 k =-0.5000 0.3095 0.0000 ( 4282 PWs) bands (ev): -13.5850 -13.5850 -13.3874 -13.3874 -11.4268 -11.4268 -8.9648 -8.9648 -8.7871 -8.7871 -8.6372 -8.6372 -3.3802 -3.3802 -1.8063 -1.8063 -1.4757 -1.4757 -1.3938 -1.3938 -0.8924 -0.8924 -0.2901 -0.2901 0.3114 0.3114 1.0032 1.0032 2.1457 2.1457 2.3573 2.3573 2.4526 2.4526 2.5741 2.5741 3.0645 3.0645 3.3269 3.3269 3.3579 3.3579 4.4783 4.4783 5.1201 5.1201 5.3713 5.3713 12.2898 12.2898 12.4328 12.4328 12.7623 12.7623 13.3530 13.3530 13.3714 13.3714 k = 0.0000 0.0000 0.5377 ( 4284 PWs) bands (ev): -13.6079 -13.6079 -13.6079 -13.6079 -9.9841 -9.9841 -9.9841 -9.9841 -8.7420 -8.7420 -8.7420 -8.7420 -4.0517 -4.0517 -4.0517 -4.0517 -0.4994 -0.4994 -0.4994 -0.4994 0.0065 0.0065 0.0065 0.0065 0.7390 0.7390 0.7390 0.7390 2.1152 2.1152 2.1152 2.1152 2.5279 2.5279 2.5279 2.5279 3.6024 3.6024 3.6024 3.6024 4.1461 4.1461 4.1461 4.1461 5.3883 5.3883 5.3883 5.3883 11.4995 11.4995 11.4995 11.4995 12.1814 12.1814 12.1814 12.1814 12.9984 12.9984 k =-0.0139 0.0086 0.5377 ( 4280 PWs) bands (ev): -13.6077 -13.6077 -13.6077 -13.6077 -9.9850 -9.9850 -9.9849 -9.9849 -8.7421 -8.7421 -8.7420 -8.7420 -4.0500 -4.0500 -4.0498 -4.0498 -0.5019 -0.5019 -0.5018 -0.5018 0.0083 0.0083 0.0085 0.0085 0.7400 0.7400 0.7402 0.7402 2.1110 2.1110 2.1115 2.1115 2.5309 2.5309 2.5315 2.5315 3.6016 3.6016 3.6016 3.6016 4.1445 4.1445 4.1447 4.1447 5.3879 5.3879 5.3880 5.3880 11.4995 11.4995 11.4997 11.4997 12.1836 12.1836 12.1841 12.1841 12.9989 12.9989 k =-0.0278 0.0172 0.5377 ( 4288 PWs) bands (ev): -13.6070 -13.6070 -13.6069 -13.6069 -9.9876 -9.9876 -9.9875 -9.9875 -8.7421 -8.7421 -8.7419 -8.7419 -4.0448 -4.0448 -4.0442 -4.0442 -0.5091 -0.5091 -0.5088 -0.5088 0.0139 0.0139 0.0144 0.0144 0.7432 0.7432 0.7436 0.7436 2.0992 2.0992 2.1001 2.1001 2.5402 2.5402 2.5413 2.5413 3.5991 3.5991 3.5992 3.5992 4.1401 4.1401 4.1406 4.1406 5.3869 5.3869 5.3870 5.3870 11.4996 11.4996 11.5000 11.5000 12.1907 12.1907 12.1918 12.1918 13.0004 13.0004 k =-0.0417 0.0258 0.5377 ( 4292 PWs) bands (ev): -13.6058 -13.6058 -13.6058 -13.6058 -9.9918 -9.9918 -9.9917 -9.9917 -8.7422 -8.7422 -8.7418 -8.7418 -4.0359 -4.0359 -4.0351 -4.0351 -0.5208 -0.5208 -0.5203 -0.5203 0.0231 0.0231 0.0238 0.0238 0.7487 0.7487 0.7492 0.7492 2.0808 2.0808 2.0821 2.0821 2.5549 2.5549 2.5565 2.5565 3.5949 3.5949 3.5952 3.5952 4.1330 4.1330 4.1337 4.1337 5.3852 5.3852 5.3853 5.3853 11.4999 11.4999 11.5006 11.5006 12.2026 12.2026 12.2042 12.2042 13.0030 13.0030 k =-0.0556 0.0344 0.5377 ( 4300 PWs) bands (ev): -13.6042 -13.6042 -13.6041 -13.6041 -9.9977 -9.9977 -9.9975 -9.9975 -8.7422 -8.7422 -8.7417 -8.7417 -4.0235 -4.0235 -4.0225 -4.0225 -0.5366 -0.5366 -0.5360 -0.5360 0.0356 0.0356 0.0364 0.0364 0.7563 0.7563 0.7569 0.7569 2.0569 2.0569 2.0585 2.0585 2.5738 2.5738 2.5757 2.5757 3.5892 3.5892 3.5895 3.5895 4.1234 4.1234 4.1242 4.1242 5.3827 5.3827 5.3828 5.3828 11.5006 11.5006 11.5015 11.5015 12.2190 12.2190 12.2211 12.2211 13.0066 13.0066 k =-0.0694 0.0430 0.5377 ( 4300 PWs) bands (ev): -13.6022 -13.6022 -13.6021 -13.6021 -10.0051 -10.0051 -10.0049 -10.0049 -8.7422 -8.7422 -8.7417 -8.7417 -4.0076 -4.0076 -4.0063 -4.0063 -0.5562 -0.5562 -0.5554 -0.5554 0.0510 0.0510 0.0520 0.0520 0.7660 0.7660 0.7667 0.7667 2.0287 2.0287 2.0304 2.0304 2.5956 2.5956 2.5978 2.5978 3.5818 3.5818 3.5822 3.5822 4.1114 4.1114 4.1125 4.1125 5.3793 5.3793 5.3794 5.3794 11.5019 11.5019 11.5029 11.5029 12.2397 12.2397 12.2423 12.2423 13.0110 13.0110 k =-0.0833 0.0516 0.5377 ( 4304 PWs) bands (ev): -13.5997 -13.5997 -13.5996 -13.5996 -10.0141 -10.0141 -10.0138 -10.0138 -8.7423 -8.7423 -8.7416 -8.7416 -3.9883 -3.9883 -3.9867 -3.9867 -0.5791 -0.5791 -0.5782 -0.5782 0.0690 0.0690 0.0701 0.0701 0.7776 0.7776 0.7786 0.7786 1.9970 1.9970 1.9989 1.9989 2.6195 2.6195 2.6219 2.6219 3.5728 3.5728 3.5733 3.5733 4.0975 4.0975 4.0987 4.0987 5.3749 5.3749 5.3750 5.3750 11.5038 11.5038 11.5051 11.5051 12.2642 12.2642 12.2674 12.2674 13.0163 13.0163 k =-0.0972 0.0602 0.5377 ( 4306 PWs) bands (ev): -13.5968 -13.5968 -13.5966 -13.5966 -10.0244 -10.0244 -10.0241 -10.0241 -8.7424 -8.7424 -8.7416 -8.7416 -3.9655 -3.9655 -3.9637 -3.9637 -0.6050 -0.6050 -0.6040 -0.6040 0.0893 0.0893 0.0905 0.0905 0.7913 0.7913 0.7923 0.7923 1.9626 1.9626 1.9646 1.9646 2.6445 2.6445 2.6471 2.6471 3.5622 3.5622 3.5628 3.5628 4.0818 4.0818 4.0833 4.0833 5.3695 5.3695 5.3696 5.3696 11.5067 11.5067 11.5081 11.5081 12.2924 12.2924 12.2960 12.2960 13.0223 13.0223 k =-0.1111 0.0688 0.5377 ( 4304 PWs) bands (ev): -13.5935 -13.5935 -13.5933 -13.5933 -10.0361 -10.0361 -10.0357 -10.0357 -8.7425 -8.7425 -8.7416 -8.7416 -3.9394 -3.9394 -3.9374 -3.9374 -0.6336 -0.6336 -0.6325 -0.6325 0.1115 0.1115 0.1127 0.1127 0.8067 0.8067 0.8079 0.8079 1.9261 1.9261 1.9282 1.9282 2.6701 2.6701 2.6729 2.6729 3.5501 3.5501 3.5507 3.5507 4.0649 4.0649 4.0666 4.0666 5.3628 5.3628 5.3629 5.3629 11.5106 11.5106 11.5121 11.5121 12.3237 12.3237 12.3278 12.3278 13.0288 13.0288 k =-0.1250 0.0774 0.5377 ( 4308 PWs) bands (ev): -13.5898 -13.5898 -13.5896 -13.5896 -10.0490 -10.0490 -10.0486 -10.0486 -8.7427 -8.7427 -8.7417 -8.7417 -3.9101 -3.9101 -3.9079 -3.9079 -0.6646 -0.6646 -0.6634 -0.6634 0.1354 0.1354 0.1367 0.1367 0.8239 0.8239 0.8252 0.8252 1.8878 1.8878 1.8899 1.8899 2.6957 2.6957 2.6986 2.6986 3.5364 3.5364 3.5372 3.5372 4.0470 4.0470 4.0489 4.0489 5.3549 5.3549 5.3550 5.3550 11.5157 11.5157 11.5173 11.5173 12.3577 12.3577 12.3624 12.3624 13.0359 13.0359 k =-0.1389 0.0860 0.5377 ( 4310 PWs) bands (ev): -13.5858 -13.5858 -13.5855 -13.5855 -10.0630 -10.0630 -10.0626 -10.0626 -8.7429 -8.7429 -8.7419 -8.7419 -3.8777 -3.8777 -3.8753 -3.8753 -0.6978 -0.6978 -0.6965 -0.6965 0.1608 0.1608 0.1622 0.1622 0.8428 0.8428 0.8442 0.8442 1.8480 1.8480 1.8503 1.8503 2.7208 2.7208 2.7239 2.7239 3.5214 3.5214 3.5222 3.5222 4.0286 4.0286 4.0306 4.0306 5.3457 5.3457 5.3457 5.3457 11.5219 11.5219 11.5237 11.5237 12.3942 12.3942 12.3993 12.3993 13.0434 13.0434 k =-0.1528 0.0946 0.5377 ( 4306 PWs) bands (ev): -13.5814 -13.5814 -13.5812 -13.5812 -10.0780 -10.0780 -10.0775 -10.0775 -8.7432 -8.7432 -8.7422 -8.7422 -3.8422 -3.8422 -3.8396 -3.8396 -0.7330 -0.7330 -0.7316 -0.7316 0.1874 0.1874 0.1888 0.1888 0.8633 0.8633 0.8648 0.8648 1.8072 1.8072 1.8095 1.8095 2.7450 2.7450 2.7483 2.7483 3.5050 3.5050 3.5058 3.5058 4.0100 4.0100 4.0122 4.0122 5.3350 5.3350 5.3351 5.3351 11.5294 11.5294 11.5312 11.5312 12.4327 12.4327 12.4383 12.4383 13.0513 13.0513 k =-0.1667 0.1032 0.5377 ( 4306 PWs) bands (ev): -13.5767 -13.5767 -13.5765 -13.5765 -10.0938 -10.0938 -10.0933 -10.0933 -8.7436 -8.7436 -8.7425 -8.7425 -3.8039 -3.8039 -3.8010 -3.8010 -0.7701 -0.7701 -0.7686 -0.7686 0.2151 0.2151 0.2165 0.2165 0.8853 0.8853 0.8870 0.8870 1.7655 1.7655 1.7679 1.7679 2.7680 2.7680 2.7713 2.7713 3.4874 3.4874 3.4883 3.4883 3.9916 3.9916 3.9940 3.9940 5.3230 5.3230 5.3232 5.3232 11.5381 11.5381 11.5400 11.5400 12.4727 12.4727 12.4788 12.4788 13.0597 13.0597 k =-0.1806 0.1117 0.5377 ( 4316 PWs) bands (ev): -13.5718 -13.5718 -13.5715 -13.5715 -10.1104 -10.1104 -10.1099 -10.1099 -8.7441 -8.7441 -8.7429 -8.7429 -3.7627 -3.7627 -3.7597 -3.7597 -0.8089 -0.8089 -0.8073 -0.8073 0.2436 0.2436 0.2451 0.2451 0.9088 0.9088 0.9106 0.9106 1.7232 1.7232 1.7256 1.7256 2.7892 2.7892 2.7926 2.7926 3.4689 3.4689 3.4698 3.4698 3.9737 3.9737 3.9762 3.9762 5.3096 5.3096 5.3098 5.3098 11.5480 11.5480 11.5500 11.5500 12.5137 12.5137 12.5203 12.5203 13.0686 13.0686 k =-0.1944 0.1203 0.5377 ( 4312 PWs) bands (ev): -13.5666 -13.5666 -13.5663 -13.5663 -10.1275 -10.1275 -10.1270 -10.1270 -8.7446 -8.7446 -8.7435 -8.7435 -3.7189 -3.7189 -3.7157 -3.7157 -0.8493 -0.8493 -0.8476 -0.8476 0.2728 0.2728 0.2743 0.2743 0.9337 0.9337 0.9356 0.9356 1.6806 1.6806 1.6831 1.6831 2.8082 2.8082 2.8117 2.8117 3.4496 3.4496 3.4506 3.4506 3.9567 3.9567 3.9593 3.9593 5.2948 5.2948 5.2952 5.2952 11.5590 11.5590 11.5611 11.5611 12.5553 12.5553 12.5624 12.5624 13.0783 13.0783 k =-0.2083 0.1289 0.5377 ( 4304 PWs) bands (ev): -13.5612 -13.5612 -13.5609 -13.5609 -10.1451 -10.1451 -10.1445 -10.1445 -8.7452 -8.7452 -8.7441 -8.7441 -3.6725 -3.6725 -3.6692 -3.6692 -0.8912 -0.8912 -0.8894 -0.8894 0.3025 0.3025 0.3040 0.3040 0.9599 0.9599 0.9619 0.9619 1.6379 1.6379 1.6405 1.6405 2.8245 2.8245 2.8282 2.8282 3.4298 3.4298 3.4309 3.4309 3.9409 3.9409 3.9435 3.9435 5.2789 5.2789 5.2793 5.2793 11.5710 11.5710 11.5732 11.5732 12.5968 12.5968 12.6043 12.6043 13.0892 13.0892 k =-0.2222 0.1375 0.5377 ( 4304 PWs) bands (ev): -13.5557 -13.5557 -13.5554 -13.5554 -10.1630 -10.1630 -10.1624 -10.1624 -8.7460 -8.7460 -8.7448 -8.7448 -3.6238 -3.6238 -3.6204 -3.6204 -0.9346 -0.9346 -0.9327 -0.9327 0.3324 0.3324 0.3340 0.3340 0.9873 0.9873 0.9894 0.9894 1.5955 1.5955 1.5982 1.5982 2.8378 2.8378 2.8415 2.8415 3.4099 3.4099 3.4111 3.4111 3.9265 3.9265 3.9291 3.9291 5.2617 5.2617 5.2623 5.2623 11.5839 11.5839 11.5862 11.5862 12.6375 12.6375 12.6455 12.6455 13.1017 13.1017 k =-0.2361 0.1461 0.5377 ( 4306 PWs) bands (ev): -13.5500 -13.5500 -13.5497 -13.5497 -10.1810 -10.1810 -10.1805 -10.1805 -8.7468 -8.7468 -8.7456 -8.7456 -3.5729 -3.5729 -3.5693 -3.5693 -0.9794 -0.9794 -0.9774 -0.9774 0.3624 0.3624 0.3640 0.3640 1.0155 1.0155 1.0178 1.0178 1.5539 1.5539 1.5566 1.5566 2.8473 2.8473 2.8511 2.8511 3.3902 3.3902 3.3916 3.3916 3.9137 3.9137 3.9164 3.9164 5.2436 5.2436 5.2442 5.2442 11.5976 11.5976 11.6000 11.6000 12.6765 12.6765 12.6849 12.6849 13.1163 13.1163 k =-0.2500 0.1547 0.5377 ( 4308 PWs) bands (ev): -13.5443 -13.5443 -13.5440 -13.5440 -10.1991 -10.1991 -10.1985 -10.1985 -8.7476 -8.7476 -8.7465 -8.7465 -3.5199 -3.5199 -3.5163 -3.5163 -1.0254 -1.0254 -1.0234 -1.0234 0.3923 0.3923 0.3939 0.3939 1.0443 1.0443 1.0468 1.0468 1.5135 1.5135 1.5164 1.5164 2.8527 2.8527 2.8565 2.8565 3.3712 3.3712 3.3728 3.3728 3.9028 3.9028 3.9054 3.9054 5.2246 5.2246 5.2253 5.2253 11.6120 11.6120 11.6144 11.6144 12.7129 12.7129 12.7218 12.7218 13.1339 13.1339 k =-0.2639 0.1633 0.5377 ( 4308 PWs) bands (ev): -13.5385 -13.5385 -13.5382 -13.5382 -10.2171 -10.2171 -10.2165 -10.2165 -8.7486 -8.7486 -8.7475 -8.7475 -3.4651 -3.4651 -3.4614 -3.4614 -1.0727 -1.0727 -1.0706 -1.0706 0.4218 0.4218 0.4235 0.4235 1.0731 1.0731 1.0758 1.0758 1.4752 1.4752 1.4782 1.4782 2.8535 2.8535 2.8573 2.8573 3.3533 3.3533 3.3550 3.3550 3.8938 3.8938 3.8964 3.8964 5.2049 5.2049 5.2057 5.2057 11.6269 11.6269 11.6293 11.6293 12.7459 12.7459 12.7552 12.7552 13.1550 13.1550 k =-0.2778 0.1719 0.5377 ( 4300 PWs) bands (ev): -13.5327 -13.5327 -13.5324 -13.5324 -10.2349 -10.2349 -10.2343 -10.2343 -8.7495 -8.7495 -8.7485 -8.7485 -3.4086 -3.4086 -3.4048 -3.4048 -1.1212 -1.1212 -1.1190 -1.1190 0.4509 0.4509 0.4526 0.4526 1.1005 1.1005 1.1036 1.1036 1.4404 1.4404 1.4435 1.4435 2.8494 2.8494 2.8531 2.8531 3.3368 3.3368 3.3386 3.3386 3.8869 3.8869 3.8894 3.8894 5.1847 5.1847 5.1856 5.1856 11.6421 11.6421 11.6446 11.6446 12.7748 12.7748 12.7843 12.7843 13.1803 13.1803 k =-0.2917 0.1805 0.5377 ( 4296 PWs) bands (ev): -13.5270 -13.5270 -13.5267 -13.5267 -10.2523 -10.2523 -10.2517 -10.2517 -8.7506 -8.7506 -8.7495 -8.7495 -3.3507 -3.3507 -3.3469 -3.3469 -1.1708 -1.1708 -1.1684 -1.1684 0.4793 0.4793 0.4811 0.4811 1.1248 1.1248 1.1282 1.1282 1.4111 1.4111 1.4145 1.4145 2.8401 2.8401 2.8437 2.8437 3.3220 3.3220 3.3239 3.3239 3.8822 3.8822 3.8845 3.8845 5.1642 5.1642 5.1651 5.1651 11.6575 11.6575 11.6601 11.6601 12.7991 12.7991 12.8088 12.8088 13.2098 13.2098 k =-0.3056 0.1891 0.5377 ( 4304 PWs) bands (ev): -13.5214 -13.5214 -13.5211 -13.5211 -10.2692 -10.2692 -10.2687 -10.2687 -8.7516 -8.7516 -8.7506 -8.7506 -3.2916 -3.2916 -3.2877 -3.2877 -1.2213 -1.2213 -1.2189 -1.2189 0.5070 0.5070 0.5088 0.5088 1.1424 1.1424 1.1461 1.1461 1.3909 1.3909 1.3944 1.3944 2.8257 2.8257 2.8292 2.8292 3.3089 3.3089 3.3108 3.3108 3.8794 3.8794 3.8817 3.8817 5.1435 5.1435 5.1445 5.1445 11.6730 11.6730 11.6756 11.6756 12.8188 12.8188 12.8285 12.8285 13.2435 13.2435 k =-0.3194 0.1977 0.5377 ( 4308 PWs) bands (ev): -13.5159 -13.5159 -13.5156 -13.5156 -10.2855 -10.2855 -10.2850 -10.2850 -8.7527 -8.7527 -8.7517 -8.7517 -3.2315 -3.2315 -3.2276 -3.2276 -1.2727 -1.2727 -1.2702 -1.2702 0.5338 0.5338 0.5357 0.5357 1.1494 1.1494 1.1531 1.1531 1.3842 1.3842 1.3875 1.3875 2.8064 2.8064 2.8097 2.8097 3.2975 3.2975 3.2995 3.2995 3.8787 3.8787 3.8808 3.8808 5.1230 5.1230 5.1240 5.1240 11.6884 11.6884 11.6910 11.6910 12.8344 12.8344 12.8440 12.8440 13.2804 13.2804 k =-0.3333 0.2063 0.5377 ( 4312 PWs) bands (ev): -13.5106 -13.5106 -13.5103 -13.5103 -10.3012 -10.3012 -10.3007 -10.3007 -8.7537 -8.7537 -8.7529 -8.7529 -3.1708 -3.1708 -3.1669 -3.1669 -1.3248 -1.3248 -1.3223 -1.3223 0.5597 0.5597 0.5616 0.5616 1.1435 1.1435 1.1471 1.1471 1.3930 1.3930 1.3959 1.3959 2.7827 2.7827 2.7858 2.7858 3.2877 3.2877 3.2896 3.2896 3.8797 3.8797 3.8817 3.8817 5.1027 5.1027 5.1038 5.1038 11.7035 11.7035 11.7061 11.7061 12.8464 12.8464 12.8558 12.8558 13.3196 13.3196 k =-0.3472 0.2149 0.5377 ( 4312 PWs) bands (ev): -13.5055 -13.5055 -13.5052 -13.5052 -10.3160 -10.3160 -10.3155 -10.3155 -8.7548 -8.7548 -8.7540 -8.7540 -3.1097 -3.1097 -3.1058 -3.1058 -1.3774 -1.3774 -1.3748 -1.3748 0.5846 0.5846 0.5866 0.5866 1.1269 1.1269 1.1302 1.1302 1.4150 1.4150 1.4175 1.4175 2.7552 2.7552 2.7581 2.7581 3.2792 3.2792 3.2811 3.2811 3.8823 3.8823 3.8842 3.8842 5.0830 5.0830 5.0840 5.0840 11.7182 11.7182 11.7207 11.7207 12.8556 12.8556 12.8646 12.8646 13.3598 13.3598 k =-0.3611 0.2235 0.5377 ( 4308 PWs) bands (ev): -13.5007 -13.5007 -13.5004 -13.5004 -10.3298 -10.3298 -10.3294 -10.3294 -8.7558 -8.7558 -8.7550 -8.7550 -3.0486 -3.0486 -3.0448 -3.0448 -1.4303 -1.4303 -1.4277 -1.4277 0.6086 0.6086 0.6106 0.6106 1.1038 1.1038 1.1068 1.1068 1.4458 1.4458 1.4478 1.4478 2.7244 2.7244 2.7271 2.7271 3.2719 3.2719 3.2737 3.2737 3.8863 3.8863 3.8880 3.8880 5.0640 5.0640 5.0650 5.0650 11.7323 11.7323 11.7348 11.7348 12.8625 12.8625 12.8710 12.8710 13.3998 13.3998 k =-0.3750 0.2321 0.5377 ( 4308 PWs) bands (ev): -13.4962 -13.4962 -13.4959 -13.4959 -10.3427 -10.3427 -10.3423 -10.3423 -8.7568 -8.7568 -8.7560 -8.7560 -2.9880 -2.9880 -2.9843 -2.9843 -1.4830 -1.4830 -1.4804 -1.4804 0.6316 0.6316 0.6336 0.6336 1.0775 1.0775 1.0803 1.0803 1.4815 1.4815 1.4833 1.4833 2.6912 2.6912 2.6938 2.6938 3.2655 3.2655 3.2672 3.2672 3.8912 3.8912 3.8928 3.8928 5.0459 5.0459 5.0469 5.0469 11.7457 11.7457 11.7480 11.7480 12.8677 12.8677 12.8757 12.8757 13.4382 13.4382 k =-0.3889 0.2407 0.5377 ( 4300 PWs) bands (ev): -13.4920 -13.4920 -13.4918 -13.4918 -10.3544 -10.3544 -10.3541 -10.3541 -8.7577 -8.7577 -8.7570 -8.7570 -2.9285 -2.9285 -2.9249 -2.9249 -1.5352 -1.5352 -1.5326 -1.5326 0.6537 0.6537 0.6557 0.6557 1.0500 1.0500 1.0527 1.0527 1.5199 1.5199 1.5215 1.5215 2.6565 2.6565 2.6588 2.6588 3.2599 3.2599 3.2615 3.2615 3.8969 3.8969 3.8983 3.8983 5.0291 5.0291 5.0300 5.0300 11.7582 11.7582 11.7604 11.7604 12.8717 12.8717 12.8791 12.8791 13.4737 13.4737 k =-0.4028 0.2493 0.5377 ( 4310 PWs) bands (ev): -13.4883 -13.4883 -13.4881 -13.4881 -10.3650 -10.3650 -10.3647 -10.3647 -8.7585 -8.7585 -8.7579 -8.7579 -2.8708 -2.8708 -2.8673 -2.8673 -1.5862 -1.5862 -1.5837 -1.5837 0.6748 0.6748 0.6769 0.6769 1.0225 1.0225 1.0252 1.0252 1.5592 1.5592 1.5607 1.5607 2.6210 2.6210 2.6231 2.6231 3.2551 3.2551 3.2565 3.2565 3.9028 3.9028 3.9041 3.9041 5.0136 5.0136 5.0145 5.0145 11.7697 11.7697 11.7717 11.7717 12.8748 12.8748 12.8814 12.8814 13.5054 13.5054 k =-0.4167 0.2579 0.5377 ( 4306 PWs) bands (ev): -13.4849 -13.4849 -13.4848 -13.4848 -10.3743 -10.3743 -10.3740 -10.3740 -8.7592 -8.7592 -8.7587 -8.7587 -2.8156 -2.8156 -2.8123 -2.8123 -1.6353 -1.6353 -1.6328 -1.6328 0.6951 0.6951 0.6972 0.6972 0.9959 0.9959 0.9985 0.9985 1.5980 1.5980 1.5995 1.5995 2.5858 2.5858 2.5877 2.5877 3.2509 3.2509 3.2521 3.2521 3.9088 3.9088 3.9099 3.9099 4.9997 4.9997 5.0005 5.0005 11.7800 11.7800 11.7818 11.7818 12.8772 12.8772 12.8831 12.8831 13.5322 13.5322 k =-0.4306 0.2665 0.5377 ( 4310 PWs) bands (ev): -13.4821 -13.4821 -13.4819 -13.4819 -10.3823 -10.3823 -10.3820 -10.3820 -8.7598 -8.7598 -8.7594 -8.7594 -2.7641 -2.7641 -2.7612 -2.7612 -1.6814 -1.6814 -1.6791 -1.6791 0.7145 0.7145 0.7166 0.7166 0.9706 0.9706 0.9731 0.9731 1.6350 1.6350 1.6363 1.6363 2.5520 2.5520 2.5538 2.5538 3.2473 3.2473 3.2484 3.2484 3.9145 3.9145 3.9155 3.9155 4.9876 4.9876 4.9883 4.9883 11.7890 11.7890 11.7906 11.7906 12.8792 12.8792 12.8843 12.8843 13.5539 13.5539 k =-0.4444 0.2751 0.5377 ( 4322 PWs) bands (ev): -13.4797 -13.4797 -13.4796 -13.4796 -10.3889 -10.3889 -10.3887 -10.3887 -8.7604 -8.7604 -8.7600 -8.7600 -2.7178 -2.7178 -2.7153 -2.7153 -1.7230 -1.7230 -1.7210 -1.7210 0.7328 0.7328 0.7348 0.7348 0.9471 0.9471 0.9495 0.9495 1.6688 1.6688 1.6699 1.6699 2.5211 2.5211 2.5226 2.5226 3.2444 3.2444 3.2452 3.2452 3.9196 3.9196 3.9204 3.9204 4.9774 4.9774 4.9780 4.9780 11.7966 11.7966 11.7979 11.7979 12.8809 12.8809 12.8850 12.8850 13.5703 13.5703 k =-0.4583 0.2837 0.5377 ( 4322 PWs) bands (ev): -13.4778 -13.4778 -13.4777 -13.4777 -10.3940 -10.3940 -10.3939 -10.3939 -8.7608 -8.7608 -8.7605 -8.7605 -2.6784 -2.6784 -2.6763 -2.6763 -1.7586 -1.7586 -1.7570 -1.7570 0.7497 0.7497 0.7516 0.7516 0.9261 0.9261 0.9282 0.9282 1.6977 1.6977 1.6986 1.6986 2.4944 2.4944 2.4956 2.4956 3.2421 3.2421 3.2427 3.2427 3.9239 3.9239 3.9245 3.9245 4.9693 4.9693 4.9698 4.9698 11.8026 11.8026 11.8036 11.8036 12.8823 12.8823 12.8854 12.8854 13.5820 13.5820 k =-0.4722 0.2923 0.5377 ( 4324 PWs) bands (ev): -13.4764 -13.4764 -13.4764 -13.4764 -10.3977 -10.3977 -10.3976 -10.3976 -8.7610 -8.7610 -8.7609 -8.7609 -2.6479 -2.6479 -2.6464 -2.6464 -1.7862 -1.7862 -1.7850 -1.7850 0.7644 0.7644 0.7660 0.7660 0.9086 0.9086 0.9103 0.9103 1.7201 1.7201 1.7208 1.7208 2.4738 2.4738 2.4746 2.4746 3.2405 3.2405 3.2409 3.2409 3.9272 3.9272 3.9275 3.9275 4.9635 4.9635 4.9638 4.9638 11.8071 11.8071 11.8077 11.8077 12.8834 12.8834 12.8855 12.8855 13.5897 13.5897 k =-0.4861 0.3009 0.5377 ( 4316 PWs) bands (ev): -13.4756 -13.4756 -13.4756 -13.4756 -10.4000 -10.4000 -10.3999 -10.3999 -8.7612 -8.7612 -8.7611 -8.7611 -2.6283 -2.6283 -2.6275 -2.6275 -1.8036 -1.8036 -1.8030 -1.8030 0.7753 0.7753 0.7762 0.7762 0.8965 0.8965 0.8975 0.8975 1.7345 1.7345 1.7348 1.7348 2.4607 2.4607 2.4611 2.4611 3.2395 3.2395 3.2398 3.2398 3.9292 3.9292 3.9294 3.9294 4.9600 4.9600 4.9601 4.9601 11.8098 11.8098 11.8102 11.8102 12.8843 12.8843 12.8854 12.8854 13.5943 13.5943 k =-0.5000 0.3095 0.5377 ( 4328 PWs) bands (ev): -13.4753 -13.4753 -13.4753 -13.4753 -10.4007 -10.4007 -10.4007 -10.4007 -8.7612 -8.7612 -8.7612 -8.7612 -2.6213 -2.6213 -2.6213 -2.6213 -1.8094 -1.8094 -1.8094 -1.8094 0.7797 0.7797 0.7797 0.7797 0.8924 0.8924 0.8924 0.8924 1.7395 1.7395 1.7395 1.7395 2.4563 2.4563 2.4563 2.4563 3.2393 3.2393 3.2393 3.2393 3.9300 3.9300 3.9300 3.9300 4.9588 4.9588 4.9588 4.9588 11.8109 11.8109 11.8109 11.8109 12.8849 12.8849 12.8849 12.8849 13.5961 13.5961 Writing output data file Si2N2O.save init_run : 3.31s CPU 13.28s WALL ( 1 calls) electrons : 1229.30s CPU 1238.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.36s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1229.22s CPU 1238.53s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.62s WALL ( 1 calls) newd : 0.45s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 374 calls) cegterg : 1174.62s CPU 1181.11s WALL ( 1227 calls) Called by sum_band: Called by *egterg: h_psi : 416.28s CPU 429.30s WALL ( 22974 calls) s_psi : 67.33s CPU 67.81s WALL ( 22974 calls) g_psi : 0.87s CPU 1.06s WALL ( 21373 calls) cdiaghg : 532.84s CPU 527.12s WALL ( 21747 calls) cegterg:over : 88.08s CPU 84.25s WALL ( 21373 calls) cegterg:upda : 20.41s CPU 26.43s WALL ( 21373 calls) cegterg:last : 16.05s CPU 17.11s WALL ( 2730 calls) Called by h_psi: h_psi:vloc : 281.12s CPU 292.00s WALL ( 22974 calls) h_psi:vnl : 134.66s CPU 136.16s WALL ( 22974 calls) add_vuspsi : 50.13s CPU 56.73s WALL ( 22974 calls) General routines calbec : 84.45s CPU 79.26s WALL ( 22974 calls) fft : 0.40s CPU 1.27s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 264.51s CPU 270.70s WALL ( 1806044 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 1.29s WALL ( 748 calls) Parallel routines fft_scatter : 166.67s CPU 170.04s WALL ( 1806067 calls) PWSCF : 21m39.21s CPU 23m 7.77s WALL This run was terminated on: 15:30:51 26Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=