Program PWSCF v.5.1.1 starts on 24Nov2015 at 6:58: 8 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 1622 713 111 Max 47 28 8 1627 725 116 Sum 2239 1303 379 77975 34497 5451 bravais-lattice index = 14 lattice parameter (alat) = 9.8368 a.u. unit-cell volume = 790.6346 (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)= 9.836794 celldm(2)= 1.000000 celldm(3)= 0.929034 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447878 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447878 0.894095 0.000000 ) a(3) = ( 0.000000 0.000000 0.929034 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.500929 -0.000000 ) b(2) = ( 0.000000 1.118450 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076387 ) 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 ) ( 0.4645170 ) 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) = ( 0.0086333 0.0139806 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172667 0.0279612 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259000 0.0419419 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345333 0.0559225 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431666 0.0699031 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517999 0.0838837 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604333 0.0978643 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690666 0.1118450 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776999 0.1258256 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863333 0.1398062 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0949666 0.1537868 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1035999 0.1677674 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1122332 0.1817481 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1208666 0.1957287 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1294999 0.2097093 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1381332 0.2236899 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1467665 0.2376706 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553999 0.2516512 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1640332 0.2656318 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1726665 0.2796124 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812998 0.2935930 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1899332 0.3075737 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1985665 0.3215543 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2071998 0.3355349 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2158331 0.3495155 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2244665 0.3634961 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2330998 0.3774768 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2417331 0.3914574 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2503664 0.4054380 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2589998 0.4194186 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2676331 0.4333992 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2762664 0.4473799 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2848997 0.4613605 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2935331 0.4753411 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3021664 0.4893217 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3107997 0.5033023 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3194330 0.5172830 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3280664 0.5312636 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3366997 0.5452442 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3453330 0.5592248 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3453330 0.5592248 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3288886 0.5592248 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3124441 0.5592248 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2959997 0.5592248 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2795553 0.5592248 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2631109 0.5592248 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2466664 0.5592248 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2302220 0.5592248 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2137776 0.5592248 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1973332 0.5592248 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1808887 0.5592248 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1644443 0.5592248 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1479999 0.5592248 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1315554 0.5592248 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1151110 0.5592248 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0986666 0.5592248 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0822221 0.5592248 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657777 0.5592248 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493333 0.5592248 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328889 0.5592248 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164444 0.5592248 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5592248 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5592248 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5592248 0.0163089), wk = 0.0026738 k( 66) = ( 0.0000000 0.5592248 0.0326178), wk = 0.0026738 k( 67) = ( 0.0000000 0.5592248 0.0489267), wk = 0.0026738 k( 68) = ( 0.0000000 0.5592248 0.0652356), wk = 0.0026738 k( 69) = ( 0.0000000 0.5592248 0.0815445), wk = 0.0026738 k( 70) = ( 0.0000000 0.5592248 0.0978534), wk = 0.0026738 k( 71) = ( 0.0000000 0.5592248 0.1141623), wk = 0.0026738 k( 72) = ( 0.0000000 0.5592248 0.1304711), wk = 0.0026738 k( 73) = ( 0.0000000 0.5592248 0.1467800), wk = 0.0026738 k( 74) = ( 0.0000000 0.5592248 0.1630889), wk = 0.0026738 k( 75) = ( 0.0000000 0.5592248 0.1793978), wk = 0.0026738 k( 76) = ( 0.0000000 0.5592248 0.1957067), wk = 0.0026738 k( 77) = ( 0.0000000 0.5592248 0.2120156), wk = 0.0026738 k( 78) = ( 0.0000000 0.5592248 0.2283245), wk = 0.0026738 k( 79) = ( 0.0000000 0.5592248 0.2446334), wk = 0.0026738 k( 80) = ( 0.0000000 0.5592248 0.2609423), wk = 0.0026738 k( 81) = ( 0.0000000 0.5592248 0.2772512), wk = 0.0026738 k( 82) = ( 0.0000000 0.5592248 0.2935601), wk = 0.0026738 k( 83) = ( 0.0000000 0.5592248 0.3098690), wk = 0.0026738 k( 84) = ( 0.0000000 0.5592248 0.3261779), wk = 0.0026738 k( 85) = ( 0.0000000 0.5592248 0.3424868), wk = 0.0026738 k( 86) = ( 0.0000000 0.5592248 0.3587957), wk = 0.0026738 k( 87) = ( 0.0000000 0.5592248 0.3751046), wk = 0.0026738 k( 88) = ( 0.0000000 0.5592248 0.3914134), wk = 0.0026738 k( 89) = ( 0.0000000 0.5592248 0.4077223), wk = 0.0026738 k( 90) = ( 0.0000000 0.5592248 0.4240312), wk = 0.0026738 k( 91) = ( 0.0000000 0.5592248 0.4403401), wk = 0.0026738 k( 92) = ( 0.0000000 0.5592248 0.4566490), wk = 0.0026738 k( 93) = ( 0.0000000 0.5592248 0.4729579), wk = 0.0026738 k( 94) = ( 0.0000000 0.5592248 0.4892668), wk = 0.0026738 k( 95) = ( 0.0000000 0.5592248 0.5055757), wk = 0.0026738 k( 96) = ( 0.0000000 0.5592248 0.5218846), wk = 0.0026738 k( 97) = ( 0.0000000 0.5592248 0.5381935), wk = 0.0026738 k( 98) = ( 0.0000000 0.5592248 0.5381935), wk = 0.0026738 k( 99) = ( 0.0164444 0.5592248 0.5381935), wk = 0.0026738 k( 100) = ( 0.0328889 0.5592248 0.5381935), wk = 0.0026738 k( 101) = ( 0.0493333 0.5592248 0.5381935), wk = 0.0026738 k( 102) = ( 0.0657777 0.5592248 0.5381935), wk = 0.0026738 k( 103) = ( 0.0822221 0.5592248 0.5381935), wk = 0.0026738 k( 104) = ( 0.0986666 0.5592248 0.5381935), wk = 0.0026738 k( 105) = ( 0.1151110 0.5592248 0.5381935), wk = 0.0026738 k( 106) = ( 0.1315554 0.5592248 0.5381935), wk = 0.0026738 k( 107) = ( 0.1479999 0.5592248 0.5381935), wk = 0.0026738 k( 108) = ( 0.1644443 0.5592248 0.5381935), wk = 0.0026738 k( 109) = ( 0.1808887 0.5592248 0.5381935), wk = 0.0026738 k( 110) = ( 0.1973332 0.5592248 0.5381935), wk = 0.0026738 k( 111) = ( 0.2137776 0.5592248 0.5381935), wk = 0.0026738 k( 112) = ( 0.2302220 0.5592248 0.5381935), wk = 0.0026738 k( 113) = ( 0.2466664 0.5592248 0.5381935), wk = 0.0026738 k( 114) = ( 0.2631109 0.5592248 0.5381935), wk = 0.0026738 k( 115) = ( 0.2795553 0.5592248 0.5381935), wk = 0.0026738 k( 116) = ( 0.2959997 0.5592248 0.5381935), wk = 0.0026738 k( 117) = ( 0.3124441 0.5592248 0.5381935), wk = 0.0026738 k( 118) = ( 0.3288886 0.5592248 0.5381935), wk = 0.0026738 k( 119) = ( 0.3453330 0.5592248 0.5381935), wk = 0.0026738 k( 120) = ( 0.3453330 0.5592248 0.5381935), wk = 0.0026738 k( 121) = ( 0.3366997 0.5452442 0.5381935), wk = 0.0026738 k( 122) = ( 0.3280664 0.5312636 0.5381935), wk = 0.0026738 k( 123) = ( 0.3194330 0.5172830 0.5381935), wk = 0.0026738 k( 124) = ( 0.3107997 0.5033023 0.5381935), wk = 0.0026738 k( 125) = ( 0.3021664 0.4893217 0.5381935), wk = 0.0026738 k( 126) = ( 0.2935331 0.4753411 0.5381935), wk = 0.0026738 k( 127) = ( 0.2848997 0.4613605 0.5381935), wk = 0.0026738 k( 128) = ( 0.2762664 0.4473799 0.5381935), wk = 0.0026738 k( 129) = ( 0.2676331 0.4333992 0.5381935), wk = 0.0026738 k( 130) = ( 0.2589998 0.4194186 0.5381935), wk = 0.0026738 k( 131) = ( 0.2503664 0.4054380 0.5381935), wk = 0.0026738 k( 132) = ( 0.2417331 0.3914574 0.5381935), wk = 0.0026738 k( 133) = ( 0.2330998 0.3774768 0.5381935), wk = 0.0026738 k( 134) = ( 0.2244665 0.3634961 0.5381935), wk = 0.0026738 k( 135) = ( 0.2158331 0.3495155 0.5381935), wk = 0.0026738 k( 136) = ( 0.2071998 0.3355349 0.5381935), wk = 0.0026738 k( 137) = ( 0.1985665 0.3215543 0.5381935), wk = 0.0026738 k( 138) = ( 0.1899332 0.3075737 0.5381935), wk = 0.0026738 k( 139) = ( 0.1812998 0.2935930 0.5381935), wk = 0.0026738 k( 140) = ( 0.1726665 0.2796124 0.5381935), wk = 0.0026738 k( 141) = ( 0.1640332 0.2656318 0.5381935), wk = 0.0026738 k( 142) = ( 0.1553999 0.2516512 0.5381935), wk = 0.0026738 k( 143) = ( 0.1467665 0.2376706 0.5381935), wk = 0.0026738 k( 144) = ( 0.1381332 0.2236899 0.5381935), wk = 0.0026738 k( 145) = ( 0.1294999 0.2097093 0.5381935), wk = 0.0026738 k( 146) = ( 0.1208666 0.1957287 0.5381935), wk = 0.0026738 k( 147) = ( 0.1122332 0.1817481 0.5381935), wk = 0.0026738 k( 148) = ( 0.1035999 0.1677674 0.5381935), wk = 0.0026738 k( 149) = ( 0.0949666 0.1537868 0.5381935), wk = 0.0026738 k( 150) = ( 0.0863333 0.1398062 0.5381935), wk = 0.0026738 k( 151) = ( 0.0776999 0.1258256 0.5381935), wk = 0.0026738 k( 152) = ( 0.0690666 0.1118450 0.5381935), wk = 0.0026738 k( 153) = ( 0.0604333 0.0978643 0.5381935), wk = 0.0026738 k( 154) = ( 0.0517999 0.0838837 0.5381935), wk = 0.0026738 k( 155) = ( 0.0431666 0.0699031 0.5381935), wk = 0.0026738 k( 156) = ( 0.0345333 0.0559225 0.5381935), wk = 0.0026738 k( 157) = ( 0.0259000 0.0419419 0.5381935), wk = 0.0026738 k( 158) = ( 0.0172667 0.0279612 0.5381935), wk = 0.0026738 k( 159) = ( 0.0086333 0.0139806 0.5381935), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5381935), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5381935), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5218846), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5055757), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4892668), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4729579), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4566490), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4403401), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4240312), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4077223), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3914134), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3751046), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3587957), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3424868), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3261779), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3098690), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2935601), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772512), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609423), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446334), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283245), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2120156), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1957067), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1793978), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1630889), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467800), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304711), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141623), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978534), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815445), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652356), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489267), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326178), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163089), 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 0.0085767 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171534 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257300 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343067 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0428834 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0514601 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0600368 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0686134 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0771901 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0857668 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0943435 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1029201 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1114968 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1200735 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1286502 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1372269 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1458035 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1543802 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1629569 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1715336 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1801103 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1886869 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1972636 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2058403 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2144170 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2229937 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2315703 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2401470 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2487237 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2573004 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2658771 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2744537 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2830304 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2916071 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3001838 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3087604 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3087604 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914074 0.3226751 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828148 0.3365898 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742222 0.3505045 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656296 0.3644192 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570369 0.3783339 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4484443 0.3922486 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4398517 0.4061633 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4312591 0.4200779 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4226665 0.4339926 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4140739 0.4479073 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4054813 0.4618220 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3968887 0.4757367 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3882961 0.4896514 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3797034 0.5035661 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3711108 0.5174808 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3625182 0.5313955 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3539256 0.5453101 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3453330 0.5592248 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3453330 0.5592248 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3453330 0.5592248 0.0163089), wk = 0.0026738 k( 253) = ( -0.3453330 0.5592248 0.0326178), wk = 0.0026738 k( 254) = ( -0.3453330 0.5592248 0.0489267), wk = 0.0026738 k( 255) = ( -0.3453330 0.5592248 0.0652356), wk = 0.0026738 k( 256) = ( -0.3453330 0.5592248 0.0815445), wk = 0.0026738 k( 257) = ( -0.3453330 0.5592248 0.0978534), wk = 0.0026738 k( 258) = ( -0.3453330 0.5592248 0.1141623), wk = 0.0026738 k( 259) = ( -0.3453330 0.5592248 0.1304711), wk = 0.0026738 k( 260) = ( -0.3453330 0.5592248 0.1467800), wk = 0.0026738 k( 261) = ( -0.3453330 0.5592248 0.1630889), wk = 0.0026738 k( 262) = ( -0.3453330 0.5592248 0.1793978), wk = 0.0026738 k( 263) = ( -0.3453330 0.5592248 0.1957067), wk = 0.0026738 k( 264) = ( -0.3453330 0.5592248 0.2120156), wk = 0.0026738 k( 265) = ( -0.3453330 0.5592248 0.2283245), wk = 0.0026738 k( 266) = ( -0.3453330 0.5592248 0.2446334), wk = 0.0026738 k( 267) = ( -0.3453330 0.5592248 0.2609423), wk = 0.0026738 k( 268) = ( -0.3453330 0.5592248 0.2772512), wk = 0.0026738 k( 269) = ( -0.3453330 0.5592248 0.2935601), wk = 0.0026738 k( 270) = ( -0.3453330 0.5592248 0.3098690), wk = 0.0026738 k( 271) = ( -0.3453330 0.5592248 0.3261779), wk = 0.0026738 k( 272) = ( -0.3453330 0.5592248 0.3424868), wk = 0.0026738 k( 273) = ( -0.3453330 0.5592248 0.3587957), wk = 0.0026738 k( 274) = ( -0.3453330 0.5592248 0.3751046), wk = 0.0026738 k( 275) = ( -0.3453330 0.5592248 0.3914134), wk = 0.0026738 k( 276) = ( -0.3453330 0.5592248 0.4077223), wk = 0.0026738 k( 277) = ( -0.3453330 0.5592248 0.4240312), wk = 0.0026738 k( 278) = ( -0.3453330 0.5592248 0.4403401), wk = 0.0026738 k( 279) = ( -0.3453330 0.5592248 0.4566490), wk = 0.0026738 k( 280) = ( -0.3453330 0.5592248 0.4729579), wk = 0.0026738 k( 281) = ( -0.3453330 0.5592248 0.4892668), wk = 0.0026738 k( 282) = ( -0.3453330 0.5592248 0.5055757), wk = 0.0026738 k( 283) = ( -0.3453330 0.5592248 0.5218846), wk = 0.0026738 k( 284) = ( -0.3453330 0.5592248 0.5381935), wk = 0.0026738 k( 285) = ( -0.3453330 0.5592248 0.5381935), wk = 0.0026738 k( 286) = ( -0.3539256 0.5453101 0.5381935), wk = 0.0026738 k( 287) = ( -0.3625182 0.5313955 0.5381935), wk = 0.0026738 k( 288) = ( -0.3711108 0.5174808 0.5381935), wk = 0.0026738 k( 289) = ( -0.3797034 0.5035661 0.5381935), wk = 0.0026738 k( 290) = ( -0.3882961 0.4896514 0.5381935), wk = 0.0026738 k( 291) = ( -0.3968887 0.4757367 0.5381935), wk = 0.0026738 k( 292) = ( -0.4054813 0.4618220 0.5381935), wk = 0.0026738 k( 293) = ( -0.4140739 0.4479073 0.5381935), wk = 0.0026738 k( 294) = ( -0.4226665 0.4339926 0.5381935), wk = 0.0026738 k( 295) = ( -0.4312591 0.4200779 0.5381935), wk = 0.0026738 k( 296) = ( -0.4398517 0.4061633 0.5381935), wk = 0.0026738 k( 297) = ( -0.4484443 0.3922486 0.5381935), wk = 0.0026738 k( 298) = ( -0.4570369 0.3783339 0.5381935), wk = 0.0026738 k( 299) = ( -0.4656296 0.3644192 0.5381935), wk = 0.0026738 k( 300) = ( -0.4742222 0.3505045 0.5381935), wk = 0.0026738 k( 301) = ( -0.4828148 0.3365898 0.5381935), wk = 0.0026738 k( 302) = ( -0.4914074 0.3226751 0.5381935), wk = 0.0026738 k( 303) = ( -0.5000000 0.3087604 0.5381935), wk = 0.0026738 k( 304) = ( -0.5000000 0.3087604 0.5381935), wk = 0.0026738 k( 305) = ( -0.5000000 0.3087604 0.5218846), wk = 0.0026738 k( 306) = ( -0.5000000 0.3087604 0.5055757), wk = 0.0026738 k( 307) = ( -0.5000000 0.3087604 0.4892668), wk = 0.0026738 k( 308) = ( -0.5000000 0.3087604 0.4729579), wk = 0.0026738 k( 309) = ( -0.5000000 0.3087604 0.4566490), wk = 0.0026738 k( 310) = ( -0.5000000 0.3087604 0.4403401), wk = 0.0026738 k( 311) = ( -0.5000000 0.3087604 0.4240312), wk = 0.0026738 k( 312) = ( -0.5000000 0.3087604 0.4077223), wk = 0.0026738 k( 313) = ( -0.5000000 0.3087604 0.3914134), wk = 0.0026738 k( 314) = ( -0.5000000 0.3087604 0.3751046), wk = 0.0026738 k( 315) = ( -0.5000000 0.3087604 0.3587957), wk = 0.0026738 k( 316) = ( -0.5000000 0.3087604 0.3424868), wk = 0.0026738 k( 317) = ( -0.5000000 0.3087604 0.3261779), wk = 0.0026738 k( 318) = ( -0.5000000 0.3087604 0.3098690), wk = 0.0026738 k( 319) = ( -0.5000000 0.3087604 0.2935601), wk = 0.0026738 k( 320) = ( -0.5000000 0.3087604 0.2772512), wk = 0.0026738 k( 321) = ( -0.5000000 0.3087604 0.2609423), wk = 0.0026738 k( 322) = ( -0.5000000 0.3087604 0.2446334), wk = 0.0026738 k( 323) = ( -0.5000000 0.3087604 0.2283245), wk = 0.0026738 k( 324) = ( -0.5000000 0.3087604 0.2120156), wk = 0.0026738 k( 325) = ( -0.5000000 0.3087604 0.1957067), wk = 0.0026738 k( 326) = ( -0.5000000 0.3087604 0.1793978), wk = 0.0026738 k( 327) = ( -0.5000000 0.3087604 0.1630889), wk = 0.0026738 k( 328) = ( -0.5000000 0.3087604 0.1467800), wk = 0.0026738 k( 329) = ( -0.5000000 0.3087604 0.1304711), wk = 0.0026738 k( 330) = ( -0.5000000 0.3087604 0.1141623), wk = 0.0026738 k( 331) = ( -0.5000000 0.3087604 0.0978534), wk = 0.0026738 k( 332) = ( -0.5000000 0.3087604 0.0815445), wk = 0.0026738 k( 333) = ( -0.5000000 0.3087604 0.0652356), wk = 0.0026738 k( 334) = ( -0.5000000 0.3087604 0.0489267), wk = 0.0026738 k( 335) = ( -0.5000000 0.3087604 0.0326178), wk = 0.0026738 k( 336) = ( -0.5000000 0.3087604 0.0163089), wk = 0.0026738 k( 337) = ( -0.5000000 0.3087604 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5381935), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085767 0.5381935), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171534 0.5381935), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257300 0.5381935), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343067 0.5381935), wk = 0.0026738 k( 343) = ( -0.0694444 0.0428834 0.5381935), wk = 0.0026738 k( 344) = ( -0.0833333 0.0514601 0.5381935), wk = 0.0026738 k( 345) = ( -0.0972222 0.0600368 0.5381935), wk = 0.0026738 k( 346) = ( -0.1111111 0.0686134 0.5381935), wk = 0.0026738 k( 347) = ( -0.1250000 0.0771901 0.5381935), wk = 0.0026738 k( 348) = ( -0.1388889 0.0857668 0.5381935), wk = 0.0026738 k( 349) = ( -0.1527778 0.0943435 0.5381935), wk = 0.0026738 k( 350) = ( -0.1666667 0.1029201 0.5381935), wk = 0.0026738 k( 351) = ( -0.1805556 0.1114968 0.5381935), wk = 0.0026738 k( 352) = ( -0.1944444 0.1200735 0.5381935), wk = 0.0026738 k( 353) = ( -0.2083333 0.1286502 0.5381935), wk = 0.0026738 k( 354) = ( -0.2222222 0.1372269 0.5381935), wk = 0.0026738 k( 355) = ( -0.2361111 0.1458035 0.5381935), wk = 0.0026738 k( 356) = ( -0.2500000 0.1543802 0.5381935), wk = 0.0026738 k( 357) = ( -0.2638889 0.1629569 0.5381935), wk = 0.0026738 k( 358) = ( -0.2777778 0.1715336 0.5381935), wk = 0.0026738 k( 359) = ( -0.2916667 0.1801103 0.5381935), wk = 0.0026738 k( 360) = ( -0.3055556 0.1886869 0.5381935), wk = 0.0026738 k( 361) = ( -0.3194444 0.1972636 0.5381935), wk = 0.0026738 k( 362) = ( -0.3333333 0.2058403 0.5381935), wk = 0.0026738 k( 363) = ( -0.3472222 0.2144170 0.5381935), wk = 0.0026738 k( 364) = ( -0.3611111 0.2229937 0.5381935), wk = 0.0026738 k( 365) = ( -0.3750000 0.2315703 0.5381935), wk = 0.0026738 k( 366) = ( -0.3888889 0.2401470 0.5381935), wk = 0.0026738 k( 367) = ( -0.4027778 0.2487237 0.5381935), wk = 0.0026738 k( 368) = ( -0.4166667 0.2573004 0.5381935), wk = 0.0026738 k( 369) = ( -0.4305556 0.2658771 0.5381935), wk = 0.0026738 k( 370) = ( -0.4444444 0.2744537 0.5381935), wk = 0.0026738 k( 371) = ( -0.4583333 0.2830304 0.5381935), wk = 0.0026738 k( 372) = ( -0.4722222 0.2916071 0.5381935), wk = 0.0026738 k( 373) = ( -0.4861111 0.3001838 0.5381935), wk = 0.0026738 k( 374) = ( -0.5000000 0.3087604 0.5381935), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086333 0.0086333 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172667 0.0172667 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259000 0.0259000 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345333 0.0345333 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431666 0.0431666 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517999 0.0517999 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604333 0.0604333 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690666 0.0690666 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776999 0.0776999 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863333 0.0863333 0.0000000), wk = 0.0026738 k( 12) = ( 0.0949666 0.0949666 0.0000000), wk = 0.0026738 k( 13) = ( 0.1035999 0.1035999 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1122332 0.1122332 0.0000000), wk = 0.0026738 k( 15) = ( 0.1208666 0.1208666 0.0000000), wk = 0.0026738 k( 16) = ( 0.1294999 0.1294999 0.0000000), wk = 0.0026738 k( 17) = ( 0.1381332 0.1381332 0.0000000), wk = 0.0026738 k( 18) = ( 0.1467665 0.1467665 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553999 0.1553999 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1640332 0.1640332 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1726665 0.1726665 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812998 0.1812998 0.0000000), wk = 0.0026738 k( 23) = ( 0.1899332 0.1899332 0.0000000), wk = 0.0026738 k( 24) = ( 0.1985665 0.1985665 0.0000000), wk = 0.0026738 k( 25) = ( 0.2071998 0.2071998 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2158331 0.2158331 0.0000000), wk = 0.0026738 k( 27) = ( 0.2244665 0.2244665 0.0000000), wk = 0.0026738 k( 28) = ( 0.2330998 0.2330998 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2417331 0.2417331 0.0000000), wk = 0.0026738 k( 30) = ( 0.2503664 0.2503664 0.0000000), wk = 0.0026738 k( 31) = ( 0.2589998 0.2589998 0.0000000), wk = 0.0026738 k( 32) = ( 0.2676331 0.2676331 0.0000000), wk = 0.0026738 k( 33) = ( 0.2762664 0.2762664 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2848997 0.2848997 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2935331 0.2935331 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3021664 0.3021664 0.0000000), wk = 0.0026738 k( 37) = ( 0.3107997 0.3107997 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3194330 0.3194330 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3280664 0.3280664 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3366997 0.3366997 0.0000000), wk = 0.0026738 k( 41) = ( 0.3453330 0.3453330 0.0000000), wk = 0.0026738 k( 42) = ( 0.3453330 0.3453330 0.0000000), wk = 0.0026738 k( 43) = ( 0.3288886 0.3526981 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3124441 0.3600632 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2959997 0.3674283 0.0000000), wk = 0.0026738 k( 46) = ( 0.2795553 0.3747934 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2631109 0.3821585 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2466664 0.3895236 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2302220 0.3968887 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2137776 0.4042538 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1973332 0.4116189 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1808887 0.4189840 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1644443 0.4263491 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1479999 0.4337142 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1315554 0.4410792 0.0000000), wk = 0.0026738 k( 56) = ( 0.1151110 0.4484443 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0986666 0.4558094 0.0000000), wk = 0.0026738 k( 58) = ( 0.0822221 0.4631745 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657777 0.4705396 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493333 0.4779047 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328889 0.4852698 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164444 0.4926349 -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) = ( 0.0164444 0.4926349 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328889 0.4852698 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493333 0.4779047 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657777 0.4705396 0.5000000), wk = 0.0026738 k( 103) = ( 0.0822221 0.4631745 0.5000000), wk = 0.0026738 k( 104) = ( 0.0986666 0.4558094 0.5000000), wk = 0.0026738 k( 105) = ( 0.1151110 0.4484443 0.5000000), wk = 0.0026738 k( 106) = ( 0.1315554 0.4410792 0.5000000), wk = 0.0026738 k( 107) = ( 0.1479999 0.4337142 0.5000000), wk = 0.0026738 k( 108) = ( 0.1644443 0.4263491 0.5000000), wk = 0.0026738 k( 109) = ( 0.1808887 0.4189840 0.5000000), wk = 0.0026738 k( 110) = ( 0.1973332 0.4116189 0.5000000), wk = 0.0026738 k( 111) = ( 0.2137776 0.4042538 0.5000000), wk = 0.0026738 k( 112) = ( 0.2302220 0.3968887 0.5000000), wk = 0.0026738 k( 113) = ( 0.2466664 0.3895236 0.5000000), wk = 0.0026738 k( 114) = ( 0.2631109 0.3821585 0.5000000), wk = 0.0026738 k( 115) = ( 0.2795553 0.3747934 0.5000000), wk = 0.0026738 k( 116) = ( 0.2959997 0.3674283 0.5000000), wk = 0.0026738 k( 117) = ( 0.3124441 0.3600632 0.5000000), wk = 0.0026738 k( 118) = ( 0.3288886 0.3526981 0.5000000), wk = 0.0026738 k( 119) = ( 0.3453330 0.3453330 0.5000000), wk = 0.0026738 k( 120) = ( 0.3453330 0.3453330 0.5000000), wk = 0.0026738 k( 121) = ( 0.3366997 0.3366997 0.5000000), wk = 0.0026738 k( 122) = ( 0.3280664 0.3280664 0.5000000), wk = 0.0026738 k( 123) = ( 0.3194330 0.3194330 0.5000000), wk = 0.0026738 k( 124) = ( 0.3107997 0.3107997 0.5000000), wk = 0.0026738 k( 125) = ( 0.3021664 0.3021664 0.5000000), wk = 0.0026738 k( 126) = ( 0.2935331 0.2935331 0.5000000), wk = 0.0026738 k( 127) = ( 0.2848997 0.2848997 0.5000000), wk = 0.0026738 k( 128) = ( 0.2762664 0.2762664 0.5000000), wk = 0.0026738 k( 129) = ( 0.2676331 0.2676331 0.5000000), wk = 0.0026738 k( 130) = ( 0.2589998 0.2589998 0.5000000), wk = 0.0026738 k( 131) = ( 0.2503664 0.2503664 0.5000000), wk = 0.0026738 k( 132) = ( 0.2417331 0.2417331 0.5000000), wk = 0.0026738 k( 133) = ( 0.2330998 0.2330998 0.5000000), wk = 0.0026738 k( 134) = ( 0.2244665 0.2244665 0.5000000), wk = 0.0026738 k( 135) = ( 0.2158331 0.2158331 0.5000000), wk = 0.0026738 k( 136) = ( 0.2071998 0.2071998 0.5000000), wk = 0.0026738 k( 137) = ( 0.1985665 0.1985665 0.5000000), wk = 0.0026738 k( 138) = ( 0.1899332 0.1899332 0.5000000), wk = 0.0026738 k( 139) = ( 0.1812998 0.1812998 0.5000000), wk = 0.0026738 k( 140) = ( 0.1726665 0.1726665 0.5000000), wk = 0.0026738 k( 141) = ( 0.1640332 0.1640332 0.5000000), wk = 0.0026738 k( 142) = ( 0.1553999 0.1553999 0.5000000), wk = 0.0026738 k( 143) = ( 0.1467665 0.1467665 0.5000000), wk = 0.0026738 k( 144) = ( 0.1381332 0.1381332 0.5000000), wk = 0.0026738 k( 145) = ( 0.1294999 0.1294999 0.5000000), wk = 0.0026738 k( 146) = ( 0.1208666 0.1208666 0.5000000), wk = 0.0026738 k( 147) = ( 0.1122332 0.1122332 0.5000000), wk = 0.0026738 k( 148) = ( 0.1035999 0.1035999 0.5000000), wk = 0.0026738 k( 149) = ( 0.0949666 0.0949666 0.5000000), wk = 0.0026738 k( 150) = ( 0.0863333 0.0863333 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776999 0.0776999 0.5000000), wk = 0.0026738 k( 152) = ( 0.0690666 0.0690666 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604333 0.0604333 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517999 0.0517999 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431666 0.0431666 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345333 0.0345333 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259000 0.0259000 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172667 0.0172667 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086333 0.0086333 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 0.4545454), 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) = ( -0.4914074 0.5085926 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828148 0.5171852 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742222 0.5257778 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656296 0.5343704 0.0000000), wk = 0.0026738 k( 237) = ( -0.4570369 0.5429631 0.0000000), wk = 0.0026738 k( 238) = ( -0.4484443 0.5515557 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4398517 0.5601483 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4312591 0.5687409 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4226665 0.5773335 0.0000000), wk = 0.0026738 k( 242) = ( -0.4140739 0.5859261 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4054813 0.5945187 0.0000000), wk = 0.0026738 k( 244) = ( -0.3968887 0.6031113 0.0000000), wk = 0.0026738 k( 245) = ( -0.3882961 0.6117039 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3797034 0.6202965 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3711108 0.6288892 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3625182 0.6374818 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3539256 0.6460744 0.0000000), wk = 0.0026738 k( 250) = ( -0.3453330 0.6546670 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3453330 0.6546670 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3453330 0.6546670 0.0151515), wk = 0.0026738 k( 253) = ( -0.3453330 0.6546670 0.0303030), wk = 0.0026738 k( 254) = ( -0.3453330 0.6546670 0.0454546), wk = 0.0026738 k( 255) = ( -0.3453330 0.6546670 0.0606061), wk = 0.0026738 k( 256) = ( -0.3453330 0.6546670 0.0757576), wk = 0.0026738 k( 257) = ( -0.3453330 0.6546670 0.0909091), wk = 0.0026738 k( 258) = ( -0.3453330 0.6546670 0.1060606), wk = 0.0026738 k( 259) = ( -0.3453330 0.6546670 0.1212121), wk = 0.0026738 k( 260) = ( -0.3453330 0.6546670 0.1363636), wk = 0.0026738 k( 261) = ( -0.3453330 0.6546670 0.1515151), wk = 0.0026738 k( 262) = ( -0.3453330 0.6546670 0.1666667), wk = 0.0026738 k( 263) = ( -0.3453330 0.6546670 0.1818182), wk = 0.0026738 k( 264) = ( -0.3453330 0.6546670 0.1969697), wk = 0.0026738 k( 265) = ( -0.3453330 0.6546670 0.2121212), wk = 0.0026738 k( 266) = ( -0.3453330 0.6546670 0.2272727), wk = 0.0026738 k( 267) = ( -0.3453330 0.6546670 0.2424242), wk = 0.0026738 k( 268) = ( -0.3453330 0.6546670 0.2575758), wk = 0.0026738 k( 269) = ( -0.3453330 0.6546670 0.2727273), wk = 0.0026738 k( 270) = ( -0.3453330 0.6546670 0.2878788), wk = 0.0026738 k( 271) = ( -0.3453330 0.6546670 0.3030303), wk = 0.0026738 k( 272) = ( -0.3453330 0.6546670 0.3181818), wk = 0.0026738 k( 273) = ( -0.3453330 0.6546670 0.3333333), wk = 0.0026738 k( 274) = ( -0.3453330 0.6546670 0.3484849), wk = 0.0026738 k( 275) = ( -0.3453330 0.6546670 0.3636364), wk = 0.0026738 k( 276) = ( -0.3453330 0.6546670 0.3787879), wk = 0.0026738 k( 277) = ( -0.3453330 0.6546670 0.3939394), wk = 0.0026738 k( 278) = ( -0.3453330 0.6546670 0.4090909), wk = 0.0026738 k( 279) = ( -0.3453330 0.6546670 0.4242424), wk = 0.0026738 k( 280) = ( -0.3453330 0.6546670 0.4393939), wk = 0.0026738 k( 281) = ( -0.3453330 0.6546670 0.4545455), wk = 0.0026738 k( 282) = ( -0.3453330 0.6546670 0.4696970), wk = 0.0026738 k( 283) = ( -0.3453330 0.6546670 0.4848485), wk = 0.0026738 k( 284) = ( -0.3453330 0.6546670 0.5000000), wk = 0.0026738 k( 285) = ( -0.3453330 0.6546670 0.5000000), wk = 0.0026738 k( 286) = ( -0.3539256 0.6460744 0.5000000), wk = 0.0026738 k( 287) = ( -0.3625182 0.6374818 0.5000000), wk = 0.0026738 k( 288) = ( -0.3711108 0.6288892 0.5000000), wk = 0.0026738 k( 289) = ( -0.3797034 0.6202965 0.5000000), wk = 0.0026738 k( 290) = ( -0.3882961 0.6117039 0.5000000), wk = 0.0026738 k( 291) = ( -0.3968887 0.6031113 0.5000000), wk = 0.0026738 k( 292) = ( -0.4054813 0.5945187 0.5000000), wk = 0.0026738 k( 293) = ( -0.4140739 0.5859261 0.5000000), wk = 0.0026738 k( 294) = ( -0.4226665 0.5773335 0.5000000), wk = 0.0026738 k( 295) = ( -0.4312591 0.5687409 0.5000000), wk = 0.0026738 k( 296) = ( -0.4398517 0.5601483 0.5000000), wk = 0.0026738 k( 297) = ( -0.4484443 0.5515557 0.5000000), wk = 0.0026738 k( 298) = ( -0.4570369 0.5429631 0.5000000), wk = 0.0026738 k( 299) = ( -0.4656296 0.5343704 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742222 0.5257778 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828148 0.5171852 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914074 0.5085926 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 0.4545454), 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: 77975 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34497 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 ( 1624) G-vector shells 0.01 Mb ( 767) 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 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 48.3 secs Computing kpt #: 3 total cpu time spent up to now is 51.1 secs Computing kpt #: 4 total cpu time spent up to now is 53.7 secs Computing kpt #: 5 total cpu time spent up to now is 56.3 secs Computing kpt #: 6 total cpu time spent up to now is 58.8 secs Computing kpt #: 7 total cpu time spent up to now is 61.3 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 66.5 secs Computing kpt #: 10 total cpu time spent up to now is 68.9 secs Computing kpt #: 11 total cpu time spent up to now is 71.5 secs Computing kpt #: 12 total cpu time spent up to now is 74.4 secs Computing kpt #: 13 total cpu time spent up to now is 76.7 secs Computing kpt #: 14 total cpu time spent up to now is 79.0 secs Computing kpt #: 15 total cpu time spent up to now is 81.7 secs Computing kpt #: 16 total cpu time spent up to now is 84.5 secs Computing kpt #: 17 total cpu time spent up to now is 86.9 secs Computing kpt #: 18 total cpu time spent up to now is 89.4 secs Computing kpt #: 19 total cpu time spent up to now is 91.9 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 97.3 secs Computing kpt #: 22 total cpu time spent up to now is 100.1 secs Computing kpt #: 23 total cpu time spent up to now is 103.8 secs Computing kpt #: 24 total cpu time spent up to now is 107.2 secs Computing kpt #: 25 total cpu time spent up to now is 110.7 secs Computing kpt #: 26 total cpu time spent up to now is 113.8 secs Computing kpt #: 27 total cpu time spent up to now is 117.3 secs Computing kpt #: 28 total cpu time spent up to now is 120.3 secs Computing kpt #: 29 total cpu time spent up to now is 123.5 secs Computing kpt #: 30 total cpu time spent up to now is 126.6 secs Computing kpt #: 31 total cpu time spent up to now is 129.6 secs Computing kpt #: 32 total cpu time spent up to now is 132.8 secs Computing kpt #: 33 total cpu time spent up to now is 136.0 secs Computing kpt #: 34 total cpu time spent up to now is 139.3 secs Computing kpt #: 35 total cpu time spent up to now is 142.6 secs Computing kpt #: 36 total cpu time spent up to now is 145.9 secs Computing kpt #: 37 total cpu time spent up to now is 149.5 secs Computing kpt #: 38 total cpu time spent up to now is 153.5 secs Computing kpt #: 39 total cpu time spent up to now is 158.5 secs Computing kpt #: 40 total cpu time spent up to now is 162.3 secs Computing kpt #: 41 total cpu time spent up to now is 165.5 secs Computing kpt #: 42 total cpu time spent up to now is 168.7 secs Computing kpt #: 43 total cpu time spent up to now is 172.1 secs Computing kpt #: 44 total cpu time spent up to now is 175.4 secs Computing kpt #: 45 total cpu time spent up to now is 179.0 secs Computing kpt #: 46 total cpu time spent up to now is 182.5 secs Computing kpt #: 47 total cpu time spent up to now is 185.6 secs Computing kpt #: 48 total cpu time spent up to now is 188.8 secs Computing kpt #: 49 total cpu time spent up to now is 192.4 secs Computing kpt #: 50 total cpu time spent up to now is 195.8 secs Computing kpt #: 51 total cpu time spent up to now is 199.2 secs Computing kpt #: 52 total cpu time spent up to now is 203.1 secs Computing kpt #: 53 total cpu time spent up to now is 207.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.5 secs Computing kpt #: 55 total cpu time spent up to now is 217.3 secs Computing kpt #: 56 total cpu time spent up to now is 220.4 secs Computing kpt #: 57 total cpu time spent up to now is 223.6 secs Computing kpt #: 58 total cpu time spent up to now is 226.4 secs Computing kpt #: 59 total cpu time spent up to now is 229.1 secs Computing kpt #: 60 total cpu time spent up to now is 231.8 secs Computing kpt #: 61 total cpu time spent up to now is 234.7 secs Computing kpt #: 62 total cpu time spent up to now is 237.3 secs Computing kpt #: 63 total cpu time spent up to now is 240.0 secs Computing kpt #: 64 total cpu time spent up to now is 242.8 secs Computing kpt #: 65 total cpu time spent up to now is 245.4 secs Computing kpt #: 66 total cpu time spent up to now is 248.0 secs Computing kpt #: 67 total cpu time spent up to now is 250.6 secs Computing kpt #: 68 total cpu time spent up to now is 253.8 secs Computing kpt #: 69 total cpu time spent up to now is 256.6 secs Computing kpt #: 70 total cpu time spent up to now is 259.6 secs Computing kpt #: 71 total cpu time spent up to now is 263.5 secs Computing kpt #: 72 total cpu time spent up to now is 267.0 secs Computing kpt #: 73 total cpu time spent up to now is 270.7 secs Computing kpt #: 74 total cpu time spent up to now is 274.2 secs Computing kpt #: 75 total cpu time spent up to now is 278.6 secs Computing kpt #: 76 total cpu time spent up to now is 282.8 secs Computing kpt #: 77 total cpu time spent up to now is 287.6 secs Computing kpt #: 78 total cpu time spent up to now is 291.9 secs Computing kpt #: 79 total cpu time spent up to now is 296.8 secs Computing kpt #: 80 total cpu time spent up to now is 301.0 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.3 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.7 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.1 secs Computing kpt #: 84 total cpu time spent up to now is 320.7 secs Computing kpt #: 85 total cpu time spent up to now is 324.5 secs Computing kpt #: 86 total cpu time spent up to now is 327.7 secs Computing kpt #: 87 total cpu time spent up to now is 330.7 secs Computing kpt #: 88 total cpu time spent up to now is 333.7 secs Computing kpt #: 89 total cpu time spent up to now is 336.7 secs Computing kpt #: 90 total cpu time spent up to now is 340.0 secs Computing kpt #: 91 total cpu time spent up to now is 343.1 secs Computing kpt #: 92 total cpu time spent up to now is 347.1 secs Computing kpt #: 93 total cpu time spent up to now is 350.3 secs Computing kpt #: 94 total cpu time spent up to now is 353.5 secs Computing kpt #: 95 total cpu time spent up to now is 356.3 secs Computing kpt #: 96 total cpu time spent up to now is 359.5 secs Computing kpt #: 97 total cpu time spent up to now is 362.9 secs Computing kpt #: 98 total cpu time spent up to now is 366.3 secs Computing kpt #: 99 total cpu time spent up to now is 369.7 secs Computing kpt #: 100 total cpu time spent up to now is 373.2 secs Computing kpt #: 101 total cpu time spent up to now is 376.8 secs Computing kpt #: 102 total cpu time spent up to now is 380.2 secs Computing kpt #: 103 total cpu time spent up to now is 384.1 secs Computing kpt #: 104 total cpu time spent up to now is 387.7 secs Computing kpt #: 105 total cpu time spent up to now is 390.9 secs Computing kpt #: 106 total cpu time spent up to now is 394.2 secs Computing kpt #: 107 total cpu time spent up to now is 397.3 secs Computing kpt #: 108 total cpu time spent up to now is 400.5 secs Computing kpt #: 109 total cpu time spent up to now is 403.6 secs Computing kpt #: 110 total cpu time spent up to now is 407.0 secs Computing kpt #: 111 total cpu time spent up to now is 410.0 secs Computing kpt #: 112 total cpu time spent up to now is 413.2 secs Computing kpt #: 113 total cpu time spent up to now is 416.4 secs Computing kpt #: 114 total cpu time spent up to now is 419.8 secs Computing kpt #: 115 total cpu time spent up to now is 423.0 secs Computing kpt #: 116 total cpu time spent up to now is 426.3 secs Computing kpt #: 117 total cpu time spent up to now is 429.6 secs Computing kpt #: 118 total cpu time spent up to now is 432.8 secs Computing kpt #: 119 total cpu time spent up to now is 436.1 secs Computing kpt #: 120 total cpu time spent up to now is 439.4 secs Computing kpt #: 121 total cpu time spent up to now is 443.1 secs Computing kpt #: 122 total cpu time spent up to now is 446.4 secs Computing kpt #: 123 total cpu time spent up to now is 449.6 secs Computing kpt #: 124 total cpu time spent up to now is 452.7 secs Computing kpt #: 125 total cpu time spent up to now is 455.4 secs Computing kpt #: 126 total cpu time spent up to now is 457.9 secs Computing kpt #: 127 total cpu time spent up to now is 460.8 secs Computing kpt #: 128 total cpu time spent up to now is 463.3 secs Computing kpt #: 129 total cpu time spent up to now is 465.8 secs Computing kpt #: 130 total cpu time spent up to now is 469.2 secs Computing kpt #: 131 total cpu time spent up to now is 472.4 secs Computing kpt #: 132 total cpu time spent up to now is 475.6 secs Computing kpt #: 133 total cpu time spent up to now is 479.3 secs Computing kpt #: 134 total cpu time spent up to now is 484.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.4 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.3 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.7 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.6 secs Computing kpt #: 142 total cpu time spent up to now is 524.4 secs Computing kpt #: 143 total cpu time spent up to now is 527.9 secs Computing kpt #: 144 total cpu time spent up to now is 531.2 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.0 secs Computing kpt #: 146 total cpu time spent up to now is 540.5 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.5 secs Computing kpt #: 148 total cpu time spent up to now is 548.9 secs Computing kpt #: 149 total cpu time spent up to now is 552.3 secs Computing kpt #: 150 total cpu time spent up to now is 555.7 secs Computing kpt #: 151 total cpu time spent up to now is 558.8 secs Computing kpt #: 152 total cpu time spent up to now is 561.9 secs Computing kpt #: 153 total cpu time spent up to now is 565.2 secs Computing kpt #: 154 total cpu time spent up to now is 568.5 secs Computing kpt #: 155 total cpu time spent up to now is 571.5 secs Computing kpt #: 156 total cpu time spent up to now is 575.9 secs Computing kpt #: 157 total cpu time spent up to now is 580.5 secs Computing kpt #: 158 total cpu time spent up to now is 585.3 secs Computing kpt #: 159 total cpu time spent up to now is 588.9 secs Computing kpt #: 160 total cpu time spent up to now is 591.2 secs Computing kpt #: 161 total cpu time spent up to now is 593.5 secs Computing kpt #: 162 total cpu time spent up to now is 596.5 secs Computing kpt #: 163 total cpu time spent up to now is 599.5 secs Computing kpt #: 164 total cpu time spent up to now is 602.3 secs Computing kpt #: 165 total cpu time spent up to now is 605.1 secs Computing kpt #: 166 total cpu time spent up to now is 607.9 secs Computing kpt #: 167 total cpu time spent up to now is 610.8 secs Computing kpt #: 168 total cpu time spent up to now is 613.6 secs Computing kpt #: 169 total cpu time spent up to now is 616.5 secs Computing kpt #: 170 total cpu time spent up to now is 619.5 secs Computing kpt #: 171 total cpu time spent up to now is 622.4 secs Computing kpt #: 172 total cpu time spent up to now is 625.6 secs Computing kpt #: 173 total cpu time spent up to now is 629.9 secs Computing kpt #: 174 total cpu time spent up to now is 633.3 secs Computing kpt #: 175 total cpu time spent up to now is 636.1 secs Computing kpt #: 176 total cpu time spent up to now is 638.8 secs Computing kpt #: 177 total cpu time spent up to now is 641.7 secs Computing kpt #: 178 total cpu time spent up to now is 645.2 secs Computing kpt #: 179 total cpu time spent up to now is 648.8 secs Computing kpt #: 180 total cpu time spent up to now is 651.5 secs Computing kpt #: 181 total cpu time spent up to now is 653.8 secs Computing kpt #: 182 total cpu time spent up to now is 656.5 secs Computing kpt #: 183 total cpu time spent up to now is 659.3 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 664.5 secs Computing kpt #: 185 total cpu time spent up to now is 668.5 secs Computing kpt #: 186 total cpu time spent up to now is 671.9 secs Computing kpt #: 187 total cpu time spent up to now is 675.5 secs Computing kpt #: 188 total cpu time spent up to now is 678.7 secs Computing kpt #: 189 total cpu time spent up to now is 681.2 secs Computing kpt #: 190 total cpu time spent up to now is 683.9 secs Computing kpt #: 191 total cpu time spent up to now is 686.5 secs Computing kpt #: 192 total cpu time spent up to now is 689.0 secs Computing kpt #: 193 total cpu time spent up to now is 691.8 secs Computing kpt #: 194 total cpu time spent up to now is 694.4 secs Computing kpt #: 195 total cpu time spent up to now is 697.2 secs Computing kpt #: 196 total cpu time spent up to now is 699.9 secs Computing kpt #: 197 total cpu time spent up to now is 702.5 secs Computing kpt #: 198 total cpu time spent up to now is 705.2 secs Computing kpt #: 199 total cpu time spent up to now is 708.2 secs Computing kpt #: 200 total cpu time spent up to now is 710.9 secs Computing kpt #: 201 total cpu time spent up to now is 713.8 secs Computing kpt #: 202 total cpu time spent up to now is 716.6 secs Computing kpt #: 203 total cpu time spent up to now is 719.3 secs Computing kpt #: 204 total cpu time spent up to now is 722.1 secs Computing kpt #: 205 total cpu time spent up to now is 724.8 secs Computing kpt #: 206 total cpu time spent up to now is 727.4 secs Computing kpt #: 207 total cpu time spent up to now is 730.3 secs Computing kpt #: 208 total cpu time spent up to now is 733.3 secs Computing kpt #: 209 total cpu time spent up to now is 736.2 secs Computing kpt #: 210 total cpu time spent up to now is 738.9 secs Computing kpt #: 211 total cpu time spent up to now is 741.8 secs Computing kpt #: 212 total cpu time spent up to now is 744.7 secs Computing kpt #: 213 total cpu time spent up to now is 747.5 secs Computing kpt #: 214 total cpu time spent up to now is 750.5 secs Computing kpt #: 215 total cpu time spent up to now is 753.5 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 759.2 secs Computing kpt #: 218 total cpu time spent up to now is 762.2 secs Computing kpt #: 219 total cpu time spent up to now is 765.0 secs Computing kpt #: 220 total cpu time spent up to now is 768.1 secs Computing kpt #: 221 total cpu time spent up to now is 770.9 secs Computing kpt #: 222 total cpu time spent up to now is 773.6 secs Computing kpt #: 223 total cpu time spent up to now is 776.3 secs Computing kpt #: 224 total cpu time spent up to now is 779.0 secs Computing kpt #: 225 total cpu time spent up to now is 781.8 secs Computing kpt #: 226 total cpu time spent up to now is 784.4 secs Computing kpt #: 227 total cpu time spent up to now is 787.1 secs Computing kpt #: 228 total cpu time spent up to now is 789.8 secs Computing kpt #: 229 total cpu time spent up to now is 792.6 secs Computing kpt #: 230 total cpu time spent up to now is 795.4 secs Computing kpt #: 231 total cpu time spent up to now is 798.0 secs Computing kpt #: 232 total cpu time spent up to now is 800.7 secs Computing kpt #: 233 total cpu time spent up to now is 803.7 secs Computing kpt #: 234 total cpu time spent up to now is 806.6 secs Computing kpt #: 235 total cpu time spent up to now is 809.5 secs Computing kpt #: 236 total cpu time spent up to now is 812.5 secs Computing kpt #: 237 total cpu time spent up to now is 816.1 secs Computing kpt #: 238 total cpu time spent up to now is 820.0 secs Computing kpt #: 239 total cpu time spent up to now is 823.7 secs Computing kpt #: 240 total cpu time spent up to now is 828.0 secs Computing kpt #: 241 total cpu time spent up to now is 831.3 secs Computing kpt #: 242 total cpu time spent up to now is 834.4 secs Computing kpt #: 243 total cpu time spent up to now is 837.4 secs Computing kpt #: 244 total cpu time spent up to now is 840.4 secs Computing kpt #: 245 total cpu time spent up to now is 843.3 secs Computing kpt #: 246 total cpu time spent up to now is 846.4 secs Computing kpt #: 247 total cpu time spent up to now is 849.2 secs Computing kpt #: 248 total cpu time spent up to now is 852.1 secs Computing kpt #: 249 total cpu time spent up to now is 854.8 secs Computing kpt #: 250 total cpu time spent up to now is 858.0 secs Computing kpt #: 251 total cpu time spent up to now is 861.0 secs Computing kpt #: 252 total cpu time spent up to now is 864.1 secs Computing kpt #: 253 total cpu time spent up to now is 867.2 secs Computing kpt #: 254 total cpu time spent up to now is 870.6 secs Computing kpt #: 255 total cpu time spent up to now is 874.3 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.8 secs Computing kpt #: 257 total cpu time spent up to now is 884.3 secs Computing kpt #: 258 total cpu time spent up to now is 888.3 secs Computing kpt #: 259 total cpu time spent up to now is 892.0 secs Computing kpt #: 260 total cpu time spent up to now is 895.1 secs Computing kpt #: 261 total cpu time spent up to now is 897.5 secs Computing kpt #: 262 total cpu time spent up to now is 900.2 secs Computing kpt #: 263 total cpu time spent up to now is 902.8 secs Computing kpt #: 264 total cpu time spent up to now is 905.2 secs Computing kpt #: 265 total cpu time spent up to now is 907.8 secs Computing kpt #: 266 total cpu time spent up to now is 910.2 secs Computing kpt #: 267 total cpu time spent up to now is 912.5 secs Computing kpt #: 268 total cpu time spent up to now is 915.1 secs Computing kpt #: 269 total cpu time spent up to now is 917.5 secs Computing kpt #: 270 total cpu time spent up to now is 919.9 secs Computing kpt #: 271 total cpu time spent up to now is 922.9 secs Computing kpt #: 272 total cpu time spent up to now is 925.5 secs Computing kpt #: 273 total cpu time spent up to now is 928.1 secs Computing kpt #: 274 total cpu time spent up to now is 930.4 secs Computing kpt #: 275 total cpu time spent up to now is 932.9 secs Computing kpt #: 276 total cpu time spent up to now is 935.3 secs Computing kpt #: 277 total cpu time spent up to now is 938.4 secs Computing kpt #: 278 total cpu time spent up to now is 941.0 secs Computing kpt #: 279 total cpu time spent up to now is 944.2 secs Computing kpt #: 280 total cpu time spent up to now is 947.0 secs Computing kpt #: 281 total cpu time spent up to now is 949.8 secs Computing kpt #: 282 total cpu time spent up to now is 952.7 secs Computing kpt #: 283 total cpu time spent up to now is 955.7 secs Computing kpt #: 284 total cpu time spent up to now is 959.1 secs Computing kpt #: 285 total cpu time spent up to now is 962.3 secs Computing kpt #: 286 total cpu time spent up to now is 966.1 secs Computing kpt #: 287 total cpu time spent up to now is 970.7 secs Computing kpt #: 288 total cpu time spent up to now is 975.3 secs Computing kpt #: 289 total cpu time spent up to now is 979.9 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 984.8 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.0 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.4 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.8 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.0 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.2 secs Computing kpt #: 296 total cpu time spent up to now is 1016.0 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.9 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1025.8 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1030.8 secs Computing kpt #: 300 total cpu time spent up to now is 1033.2 secs Computing kpt #: 301 total cpu time spent up to now is 1036.7 secs Computing kpt #: 302 total cpu time spent up to now is 1038.9 secs Computing kpt #: 303 total cpu time spent up to now is 1041.2 secs Computing kpt #: 304 total cpu time spent up to now is 1043.4 secs Computing kpt #: 305 total cpu time spent up to now is 1046.8 secs Computing kpt #: 306 total cpu time spent up to now is 1049.3 secs Computing kpt #: 307 total cpu time spent up to now is 1052.2 secs Computing kpt #: 308 total cpu time spent up to now is 1054.8 secs Computing kpt #: 309 total cpu time spent up to now is 1057.5 secs Computing kpt #: 310 total cpu time spent up to now is 1060.4 secs Computing kpt #: 311 total cpu time spent up to now is 1063.1 secs Computing kpt #: 312 total cpu time spent up to now is 1065.5 secs Computing kpt #: 313 total cpu time spent up to now is 1068.4 secs Computing kpt #: 314 total cpu time spent up to now is 1070.9 secs Computing kpt #: 315 total cpu time spent up to now is 1073.3 secs Computing kpt #: 316 total cpu time spent up to now is 1076.4 secs Computing kpt #: 317 total cpu time spent up to now is 1078.8 secs Computing kpt #: 318 total cpu time spent up to now is 1081.1 secs Computing kpt #: 319 total cpu time spent up to now is 1083.8 secs Computing kpt #: 320 total cpu time spent up to now is 1086.5 secs Computing kpt #: 321 total cpu time spent up to now is 1089.3 secs Computing kpt #: 322 total cpu time spent up to now is 1092.2 secs Computing kpt #: 323 total cpu time spent up to now is 1095.6 secs Computing kpt #: 324 total cpu time spent up to now is 1098.6 secs Computing kpt #: 325 total cpu time spent up to now is 1103.2 secs Computing kpt #: 326 total cpu time spent up to now is 1106.5 secs Computing kpt #: 327 total cpu time spent up to now is 1110.2 secs Computing kpt #: 328 total cpu time spent up to now is 1113.2 secs Computing kpt #: 329 total cpu time spent up to now is 1116.2 secs Computing kpt #: 330 total cpu time spent up to now is 1119.3 secs Computing kpt #: 331 total cpu time spent up to now is 1122.0 secs Computing kpt #: 332 total cpu time spent up to now is 1124.7 secs Computing kpt #: 333 total cpu time spent up to now is 1127.9 secs Computing kpt #: 334 total cpu time spent up to now is 1131.2 secs Computing kpt #: 335 total cpu time spent up to now is 1134.0 secs Computing kpt #: 336 total cpu time spent up to now is 1136.6 secs Computing kpt #: 337 total cpu time spent up to now is 1140.1 secs Computing kpt #: 338 total cpu time spent up to now is 1142.4 secs Computing kpt #: 339 total cpu time spent up to now is 1145.9 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1150.7 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1156.7 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1161.6 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1166.5 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.5 secs Computing kpt #: 345 total cpu time spent up to now is 1176.4 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1181.8 secs Computing kpt #: 347 total cpu time spent up to now is 1185.3 secs Computing kpt #: 348 total cpu time spent up to now is 1188.9 secs Computing kpt #: 349 total cpu time spent up to now is 1192.3 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1197.8 secs Computing kpt #: 351 total cpu time spent up to now is 1200.9 secs Computing kpt #: 352 total cpu time spent up to now is 1204.2 secs Computing kpt #: 353 total cpu time spent up to now is 1207.5 secs Computing kpt #: 354 total cpu time spent up to now is 1210.9 secs Computing kpt #: 355 total cpu time spent up to now is 1214.1 secs Computing kpt #: 356 total cpu time spent up to now is 1217.3 secs Computing kpt #: 357 total cpu time spent up to now is 1220.9 secs Computing kpt #: 358 total cpu time spent up to now is 1225.3 secs Computing kpt #: 359 total cpu time spent up to now is 1228.7 secs Computing kpt #: 360 total cpu time spent up to now is 1232.3 secs Computing kpt #: 361 total cpu time spent up to now is 1236.0 secs Computing kpt #: 362 total cpu time spent up to now is 1240.8 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1246.9 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1251.8 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1257.1 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1262.2 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.3 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1272.2 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1277.5 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1282.3 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1287.2 secs Computing kpt #: 372 total cpu time spent up to now is 1290.6 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1295.7 secs Computing kpt #: 374 total cpu time spent up to now is 1297.9 secs ethr = 2.08E-11, avg # of iterations = 55.1 total cpu time spent up to now is 1298.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.5490 -13.5490 -12.9281 -12.9281 -10.8056 -10.8056 -9.1163 -9.1163 -9.0641 -9.0641 -8.9287 -8.9287 -3.4439 -3.4439 -3.0786 -3.0786 -2.9652 -2.9652 -0.7873 -0.7873 -0.0133 -0.0133 -0.0096 -0.0096 0.4174 0.4174 0.9113 0.9113 1.6025 1.6025 2.2761 2.2761 2.8741 2.8741 3.4779 3.4779 3.5887 3.5887 3.8121 3.8121 3.9091 3.9091 4.4157 4.4157 4.5981 4.5981 5.4711 5.4711 10.7705 10.7705 12.0240 12.0240 12.1493 12.1493 12.9340 12.9340 13.6492 13.6492 k = 0.0086 0.0140-0.0000 ( 4309 PWs) bands (ev): -13.5487 -13.5487 -12.9281 -12.9281 -10.8051 -10.8051 -9.1532 -9.1485 -9.0341 -9.0289 -8.9285 -8.9282 -3.4474 -3.4473 -3.0728 -3.0722 -2.9643 -2.9641 -0.7877 -0.7870 -0.0145 -0.0141 -0.0119 -0.0115 0.4154 0.4165 0.9168 0.9189 1.6010 1.6017 2.2739 2.2749 2.8738 2.8743 3.4756 3.4763 3.5888 3.5888 3.8111 3.8121 3.9057 3.9068 4.4159 4.4160 4.5978 4.5981 5.4704 5.4708 10.7735 10.7736 12.0247 12.0250 12.1517 12.1519 12.9339 12.9344 13.6483 13.6493 k = 0.0173 0.0280-0.0000 ( 4299 PWs) bands (ev): -13.5476 -13.5476 -12.9282 -12.9282 -10.8034 -10.8033 -9.2069 -9.2021 -8.9866 -8.9808 -8.9273 -8.9268 -3.4571 -3.4570 -3.0553 -3.0543 -2.9615 -2.9611 -0.7883 -0.7869 -0.0187 -0.0178 -0.0176 -0.0169 0.4113 0.4132 0.9348 0.9388 1.5971 1.5987 2.2684 2.2703 2.8734 2.8745 3.4696 3.4709 3.5893 3.5893 3.8088 3.8111 3.8966 3.8990 4.4165 4.4166 4.5974 4.5979 5.4688 5.4695 10.7828 10.7828 12.0272 12.0276 12.1591 12.1595 12.9340 12.9351 13.6461 13.6481 k = 0.0259 0.0419-0.0000 ( 4299 PWs) bands (ev): -13.5458 -13.5458 -12.9284 -12.9284 -10.8006 -10.8005 -9.2639 -9.2592 -8.9397 -8.9332 -8.9252 -8.9245 -3.4711 -3.4710 -3.0282 -3.0267 -2.9567 -2.9561 -0.7893 -0.7872 -0.0289 -0.0277 -0.0232 -0.0221 0.4063 0.4089 0.9638 0.9695 1.5909 1.5933 2.2595 2.2623 2.8730 2.8746 3.4600 3.4620 3.5900 3.5900 3.8050 3.8090 3.8819 3.8862 4.4174 4.4177 4.5966 4.5974 5.4663 5.4673 10.7981 10.7982 12.0313 12.0319 12.1715 12.1721 12.9345 12.9360 13.6417 13.6446 k = 0.0345 0.0559-0.0000 ( 4303 PWs) bands (ev): -13.5432 -13.5432 -12.9286 -12.9286 -10.7966 -10.7965 -9.3227 -9.3183 -8.9229 -8.9215 -8.8939 -8.8876 -3.4875 -3.4874 -2.9933 -2.9915 -2.9500 -2.9492 -0.7910 -0.7882 -0.0421 -0.0407 -0.0308 -0.0293 0.4021 0.4050 1.0018 1.0088 1.5824 1.5855 2.2472 2.2508 2.8723 2.8745 3.4473 3.4498 3.5910 3.5911 3.7988 3.8056 3.8619 3.8691 4.4188 4.4192 4.5954 4.5964 5.4629 5.4643 10.8194 10.8195 12.0370 12.0379 12.1885 12.1894 12.9354 12.9374 13.6340 13.6376 k = 0.0432 0.0699-0.0000 ( 4295 PWs) bands (ev): -13.5400 -13.5400 -12.9289 -12.9288 -10.7915 -10.7914 -9.3830 -9.3788 -8.9192 -8.9176 -8.8510 -8.8444 -3.5047 -3.5045 -2.9526 -2.9505 -2.9413 -2.9404 -0.7939 -0.7903 -0.0572 -0.0556 -0.0405 -0.0386 0.3999 0.4031 1.0468 1.0547 1.5715 1.5754 2.2315 2.2360 2.8714 2.8742 3.4317 3.4350 3.5924 3.5925 3.7884 3.7996 3.8382 3.8499 4.4206 4.4211 4.5935 4.5947 5.4588 5.4605 10.8464 10.8466 12.0442 12.0453 12.2100 12.2111 12.9369 12.9393 13.6214 13.6256 k = 0.0518 0.0839-0.0000 ( 4289 PWs) bands (ev): -13.5361 -13.5361 -12.9292 -12.9292 -10.7853 -10.7851 -9.4445 -9.4405 -8.9149 -8.9129 -8.8107 -8.8038 -3.5215 -3.5211 -2.9308 -2.9296 -2.9072 -2.9048 -0.7986 -0.7941 -0.0727 -0.0711 -0.0523 -0.0501 0.4005 0.4037 1.0970 1.1058 1.5583 1.5629 2.2124 2.2177 2.8701 2.8736 3.4140 3.4179 3.5941 3.5943 3.7705 3.7857 3.8163 3.8322 4.4229 4.4234 4.5907 4.5920 5.4539 5.4560 10.8790 10.8793 12.0529 12.0543 12.2356 12.2370 12.9391 12.9419 13.6032 13.6077 k = 0.0604 0.0979-0.0000 ( 4297 PWs) bands (ev): -13.5315 -13.5315 -12.9296 -12.9296 -10.7779 -10.7777 -9.5070 -9.5032 -8.9097 -8.9075 -8.7731 -8.7660 -3.5369 -3.5364 -2.9183 -2.9169 -2.8583 -2.8557 -0.8055 -0.8003 -0.0870 -0.0855 -0.0664 -0.0638 0.4043 0.4076 1.1511 1.1606 1.5426 1.5479 2.1900 2.1960 2.8684 2.8726 3.3946 3.3992 3.5962 3.5964 3.7426 3.7561 3.8042 3.8187 4.4256 4.4262 4.5867 4.5882 5.4485 5.4509 10.9169 10.9172 12.0630 12.0646 12.2650 12.2667 12.9421 12.9453 13.5797 13.5843 k = 0.0691 0.1118-0.0000 ( 4295 PWs) bands (ev): -13.5262 -13.5262 -12.9301 -12.9301 -10.7694 -10.7692 -9.5702 -9.5666 -8.9038 -8.9012 -8.7384 -8.7311 -3.5504 -3.5497 -2.9039 -2.9023 -2.8065 -2.8037 -0.8154 -0.8094 -0.0988 -0.0974 -0.0827 -0.0797 0.4114 0.4146 1.2080 1.2181 1.5245 1.5305 2.1642 2.1709 2.8660 2.8711 3.3741 3.3794 3.5986 3.5990 3.7059 3.7165 3.7967 3.8086 4.4287 4.4294 4.5813 4.5830 5.4424 5.4452 10.9598 10.9602 12.0743 12.0761 12.2978 12.2998 12.9463 12.9497 13.5520 13.5565 k = 0.0777 0.1258-0.0000 ( 4295 PWs) bands (ev): -13.5203 -13.5203 -12.9306 -12.9306 -10.7597 -10.7594 -9.6341 -9.6307 -8.8971 -8.8943 -8.7067 -8.6992 -3.5617 -3.5608 -2.8875 -2.8857 -2.7525 -2.7495 -0.8287 -0.8219 -0.1068 -0.1055 -0.1013 -0.0980 0.4217 0.4250 1.2670 1.2774 1.5039 1.5105 2.1351 2.1425 2.8630 2.8689 3.3532 3.3592 3.6013 3.6020 3.6630 3.6713 3.7900 3.8001 4.4324 4.4331 4.5743 4.5761 5.4359 5.4391 11.0074 11.0078 12.0866 12.0888 12.3336 12.3360 12.9517 12.9553 13.5216 13.5260 k = 0.0863 0.1398-0.0000 ( 4287 PWs) bands (ev): -13.5138 -13.5137 -12.9312 -12.9312 -10.7488 -10.7485 -9.6984 -9.6952 -8.8897 -8.8866 -8.6781 -8.6703 -3.5704 -3.5694 -2.8693 -2.8673 -2.6966 -2.6935 -0.8457 -0.8382 -0.1224 -0.1186 -0.1096 -0.1087 0.4352 0.4385 1.3272 1.3380 1.4807 1.4879 2.1029 2.1108 2.8592 2.8660 3.3322 3.3389 3.6006 3.6047 3.6190 3.6227 3.7831 3.7921 4.4365 4.4373 4.5653 4.5673 5.4290 5.4325 11.0593 11.0598 12.0999 12.1023 12.3720 12.3747 12.9585 12.9622 13.4903 13.4944 k = 0.0950 0.1538-0.0000 ( 4291 PWs) bands (ev): -13.5067 -13.5066 -12.9318 -12.9318 -10.7368 -10.7365 -9.7630 -9.7600 -8.8816 -8.8782 -8.6525 -8.6446 -3.5766 -3.5754 -2.8491 -2.8469 -2.6393 -2.6361 -0.8663 -0.8583 -0.1458 -0.1416 -0.1070 -0.1064 0.4517 0.4551 1.3882 1.3993 1.4550 1.4627 2.0676 2.0761 2.8544 2.8621 3.3116 3.3190 3.5601 3.5679 3.6109 3.6118 3.7759 3.7842 4.4411 4.4420 4.5543 4.5564 5.4217 5.4255 11.1151 11.1157 12.1139 12.1166 12.4127 12.4158 12.9668 12.9705 13.4593 13.4632 k = 0.1036 0.1678-0.0000 ( 4287 PWs) bands (ev): -13.4990 -13.4989 -12.9325 -12.9325 -10.7235 -10.7232 -9.8278 -9.8250 -8.8728 -8.8691 -8.6301 -8.6219 -3.5802 -3.5788 -2.8271 -2.8247 -2.5810 -2.5776 -0.8905 -0.8819 -0.1716 -0.1670 -0.0987 -0.0982 0.4712 0.4747 1.4260 1.4344 1.4498 1.4613 2.0295 2.0384 2.8485 2.8572 3.2916 3.2997 3.5060 3.5127 3.6156 3.6161 3.7682 3.7760 4.4463 4.4473 4.5411 4.5433 5.4139 5.4181 11.1744 11.1752 12.1284 12.1314 12.4552 12.4588 12.9766 12.9802 13.4300 13.4335 k = 0.1122 0.1817-0.0000 ( 4283 PWs) bands (ev): -13.4908 -13.4907 -12.9332 -12.9332 -10.7091 -10.7087 -9.8926 -9.8900 -8.8635 -8.8595 -8.6107 -8.6025 -3.5812 -3.5797 -2.8032 -2.8006 -2.5217 -2.5183 -0.9176 -0.9086 -0.2000 -0.1950 -0.0847 -0.0843 0.4936 0.4971 1.3948 1.4037 1.5108 1.5226 1.9888 1.9981 2.8416 2.8512 3.2722 3.2810 3.4495 3.4556 3.6213 3.6216 3.7600 3.7675 4.4520 4.4531 4.5257 4.5279 5.4057 5.4102 11.2370 11.2378 12.1432 12.1466 12.4994 12.5034 12.9878 12.9911 13.4033 13.4064 k = 0.1209 0.1957-0.0000 ( 4287 PWs) bands (ev): -13.4820 -13.4819 -12.9340 -12.9340 -10.6935 -10.6931 -9.9574 -9.9549 -8.8535 -8.8492 -8.5945 -8.5861 -3.5797 -3.5781 -2.7775 -2.7747 -2.4619 -2.4584 -0.9471 -0.9378 -0.2308 -0.2255 -0.0654 -0.0650 0.5188 0.5225 1.3606 1.3699 1.5717 1.5837 1.9458 1.9555 2.8336 2.8441 3.2529 3.2622 3.3926 3.3983 3.6278 3.6281 3.7513 3.7586 4.4583 4.4594 4.5079 4.5103 5.3970 5.4017 11.3022 11.3032 12.1581 12.1618 12.5450 12.5494 12.9998 13.0028 13.3804 13.3830 k = 0.1295 0.2097-0.0000 ( 4281 PWs) bands (ev): -13.4728 -13.4727 -12.9349 -12.9348 -10.6766 -10.6762 -10.0219 -10.0196 -8.8429 -8.8384 -8.5812 -8.5727 -3.5759 -3.5742 -2.7499 -2.7469 -2.4018 -2.3982 -0.9782 -0.9688 -0.2643 -0.2587 -0.0411 -0.0407 0.5468 0.5507 1.3232 1.3330 1.6318 1.6440 1.9007 1.9108 2.8244 2.8358 3.2318 3.2412 3.3378 3.3436 3.6353 3.6356 3.7422 3.7493 4.4652 4.4664 4.4880 4.4904 5.3876 5.3927 11.3697 11.3709 12.1728 12.1768 12.5919 12.5966 13.0121 13.0146 13.3624 13.3643 k = 0.1381 0.2237-0.0000 ( 4279 PWs) bands (ev): -13.4631 -13.4630 -12.9357 -12.9357 -10.6585 -10.6580 -10.0861 -10.0840 -8.8319 -8.8270 -8.5709 -8.5623 -3.5700 -3.5682 -2.7205 -2.7173 -2.3415 -2.3379 -1.0103 -1.0007 -0.3004 -0.2944 -0.0124 -0.0120 0.5776 0.5817 1.2827 1.2928 1.6911 1.7035 1.8541 1.8645 2.8142 2.8262 3.2038 3.2127 3.2908 3.2974 3.6438 3.6441 3.7327 3.7397 4.4658 4.4683 4.4728 4.4741 5.3776 5.3829 11.4392 11.4405 12.1872 12.1915 12.6398 12.6449 13.0237 13.0254 13.3505 13.3517 k = 0.1468 0.2377-0.0000 ( 4283 PWs) bands (ev): -13.4530 -13.4529 -12.9366 -12.9366 -10.6392 -10.6387 -10.1499 -10.1479 -8.8204 -8.8153 -8.5634 -8.5548 -3.5622 -3.5603 -2.6893 -2.6859 -2.2813 -2.2777 -1.0427 -1.0330 -0.3391 -0.3328 0.0200 0.0205 0.6113 0.6156 1.2389 1.2494 1.7491 1.7617 1.8063 1.8170 2.8028 2.8155 3.1627 3.1701 3.2585 3.2667 3.6533 3.6536 3.7229 3.7298 4.4417 4.4443 4.4809 4.4822 5.3667 5.3723 11.5101 11.5116 12.2009 12.2056 12.6887 12.6943 13.0333 13.0342 13.3460 13.3465 k = 0.1554 0.2517-0.0000 ( 4287 PWs) bands (ev): -13.4426 -13.4425 -12.9376 -12.9376 -10.6187 -10.6181 -10.2131 -10.2113 -8.8085 -8.8031 -8.5587 -8.5500 -3.5528 -3.5509 -2.6564 -2.6528 -2.2214 -2.2178 -1.0747 -1.0650 -0.3804 -0.3738 0.0557 0.0563 0.6478 0.6524 1.1918 1.2025 1.7575 1.7686 1.8060 1.8187 2.7904 2.8036 3.1106 3.1170 3.2391 3.2485 3.6638 3.6643 3.7130 3.7197 4.4157 4.4184 4.4898 4.4912 5.3549 5.3608 11.5820 11.5837 12.2139 12.2190 12.7384 12.7444 13.0402 13.0404 13.3496 13.3499 k = 0.1640 0.2656-0.0000 ( 4291 PWs) bands (ev): -13.4318 -13.4317 -12.9386 -12.9386 -10.5969 -10.5962 -10.2758 -10.2740 -8.7962 -8.7906 -8.5566 -8.5479 -3.5421 -3.5402 -2.6216 -2.6179 -2.1619 -2.1583 -1.1057 -1.0961 -0.4243 -0.4174 0.0941 0.0948 0.6872 0.6920 1.1411 1.1520 1.7085 1.7198 1.8612 1.8741 2.7768 2.7904 3.0542 3.0600 3.2265 3.2365 3.6751 3.6761 3.7034 3.7095 4.3880 4.3907 4.4994 4.5008 5.3421 5.3482 11.6546 11.6565 12.2259 12.2315 12.7884 12.7949 13.0440 13.0444 13.3614 13.3623 k = 0.1727 0.2796-0.0000 ( 4289 PWs) bands (ev): -13.4207 -13.4206 -12.9396 -12.9396 -10.5738 -10.5731 -10.3376 -10.3360 -8.7837 -8.7778 -8.5569 -8.5482 -3.5304 -3.5285 -2.5852 -2.5812 -2.1030 -2.0995 -1.1353 -1.1257 -0.4707 -0.4635 0.1347 0.1356 0.7295 0.7346 1.0868 1.0979 1.6595 1.6709 1.9148 1.9279 2.7619 2.7757 2.9973 3.0028 3.2173 3.2276 3.6834 3.6876 3.6978 3.7009 4.3586 4.3615 4.5097 4.5112 5.3281 5.3344 11.7275 11.7296 12.2370 12.2429 12.8373 12.8444 13.0467 13.0474 13.3813 13.3827 k = 0.1813 0.2936-0.0000 ( 4293 PWs) bands (ev): -13.4094 -13.4093 -12.9406 -12.9406 -10.5495 -10.5487 -10.3987 -10.3972 -8.7710 -8.7648 -8.5596 -8.5509 -3.5180 -3.5161 -2.5471 -2.5429 -2.0450 -2.0415 -1.1629 -1.1534 -0.5195 -0.5120 0.1770 0.1781 0.7746 0.7801 1.0290 1.0401 1.6107 1.6224 1.9667 1.9799 2.7452 2.7590 2.9422 2.9473 3.2101 3.2204 3.6780 3.6855 3.7072 3.7075 4.3279 4.3308 4.5208 4.5223 5.3130 5.3195 11.8002 11.8026 12.2470 12.2533 12.8819 12.8897 13.0528 13.0535 13.4082 13.4097 k = 0.1899 0.3076-0.0000 ( 4297 PWs) bands (ev): -13.3979 -13.3978 -12.9417 -12.9416 -10.5239 -10.5231 -10.4589 -10.4575 -8.7581 -8.7517 -8.5643 -8.5557 -3.5053 -3.5034 -2.5073 -2.5029 -1.9879 -1.9845 -1.1882 -1.1788 -0.5707 -0.5629 0.2207 0.2220 0.8226 0.8284 0.9675 0.9786 1.5626 1.5744 2.0167 2.0301 2.7261 2.7394 2.8907 2.8952 3.2040 3.2142 3.6682 3.6756 3.7228 3.7231 4.2960 4.2989 4.5327 4.5343 5.2966 5.3032 11.8725 11.8751 12.2559 12.2627 12.9157 12.9238 13.0699 13.0707 13.4404 13.4420 k = 0.1986 0.3216-0.0000 ( 4297 PWs) bands (ev): -13.3862 -13.3861 -12.9427 -12.9427 -10.5182 -10.5169 -10.4970 -10.4962 -8.7451 -8.7385 -8.5711 -8.5625 -3.4926 -3.4907 -2.4659 -2.4613 -1.9319 -1.9286 -1.2107 -1.2014 -0.6239 -0.6159 0.2653 0.2667 0.8735 0.8796 0.9025 0.9136 1.5153 1.5272 2.0649 2.0784 2.7033 2.7153 2.8451 2.8483 3.1985 3.2086 3.6579 3.6652 3.7408 3.7409 4.2630 4.2660 4.5454 4.5470 5.2788 5.2857 11.9440 11.9469 12.2638 12.2711 12.9326 12.9403 13.1047 13.1064 13.4766 13.4780 k = 0.2072 0.3355-0.0000 ( 4293 PWs) bands (ev): -13.3744 -13.3743 -12.9438 -12.9437 -10.5764 -10.5752 -10.4689 -10.4680 -8.7322 -8.7253 -8.5796 -8.5711 -3.4802 -3.4783 -2.4229 -2.4182 -1.8773 -1.8742 -1.2301 -1.2209 -0.6790 -0.6708 0.3105 0.3121 0.8341 0.8450 0.9271 0.9335 1.4690 1.4809 2.1111 2.1248 2.6752 2.6850 2.8075 2.8086 3.1933 3.2031 3.6477 3.6549 3.7605 3.7605 4.2292 4.2322 4.5590 4.5606 5.2598 5.2668 12.0143 12.0175 12.2708 12.2785 12.9353 12.9422 13.1554 13.1581 13.5153 13.5166 k = 0.2158 0.3495-0.0000 ( 4285 PWs) bands (ev): -13.3625 -13.3624 -12.9448 -12.9448 -10.6335 -10.6324 -10.4395 -10.4385 -8.7194 -8.7123 -8.5898 -8.5814 -3.4684 -3.4665 -2.3783 -2.3735 -1.8243 -1.8212 -1.2460 -1.2369 -0.7358 -0.7274 0.3559 0.3576 0.7623 0.7731 0.9833 0.9900 1.4238 1.4358 2.1554 2.1692 2.6412 2.6484 2.7771 2.7783 3.1881 3.1974 3.6378 3.6449 3.7819 3.7820 4.1946 4.1977 4.5734 4.5751 5.2395 5.2466 12.0832 12.0867 12.2770 12.2851 12.9302 12.9364 13.2158 13.2193 13.5553 13.5567 k = 0.2245 0.3635-0.0000 ( 4289 PWs) bands (ev): -13.3506 -13.3505 -12.9458 -12.9458 -10.6894 -10.6884 -10.4088 -10.4078 -8.7068 -8.6995 -8.6014 -8.5931 -3.4575 -3.4556 -2.3324 -2.3273 -1.7729 -1.7701 -1.2583 -1.2493 -0.7940 -0.7855 0.4011 0.4031 0.6875 0.6980 1.0419 1.0491 1.3797 1.3917 2.1978 2.2118 2.6025 2.6074 2.7527 2.7559 3.1825 3.1913 3.6284 3.6353 3.8051 3.8053 4.1596 4.1626 4.5886 4.5904 5.2178 5.2251 12.1503 12.1540 12.2825 12.2910 12.9214 12.9272 13.2816 13.2857 13.5910 13.5974 k = 0.2331 0.3775-0.0000 ( 4293 PWs) bands (ev): -13.3387 -13.3386 -12.9468 -12.9468 -10.7441 -10.7432 -10.3769 -10.3758 -8.6945 -8.6870 -8.6143 -8.6062 -3.4477 -3.4459 -2.2850 -2.2798 -1.7236 -1.7209 -1.2665 -1.2576 -0.8533 -0.8446 0.4460 0.4481 0.6098 0.6201 1.1029 1.1104 1.3367 1.3488 2.2384 2.2525 2.5614 2.5646 2.7333 2.7378 3.1763 3.1845 3.6196 3.6264 3.8301 3.8304 4.1241 4.1272 4.6048 4.6065 5.1950 5.2023 12.2150 12.2190 12.2874 12.2963 12.9113 12.9168 13.3506 13.3551 13.5568 13.5678 k = 0.2417 0.3915-0.0000 ( 4289 PWs) bands (ev): -13.3269 -13.3267 -12.9478 -12.9478 -10.7976 -10.7967 -10.3437 -10.3425 -8.6825 -8.6749 -8.6283 -8.6203 -3.4392 -3.4374 -2.2363 -2.2309 -1.6763 -1.6739 -1.2704 -1.2617 -0.9133 -0.9045 0.4901 0.4925 0.5295 0.5395 1.1659 1.1737 1.2947 1.3069 2.2772 2.2914 2.5197 2.5218 2.7174 2.7225 3.1692 3.1768 3.6116 3.6182 3.8569 3.8573 4.0885 4.0916 4.6218 4.6236 5.1709 5.1783 12.2767 12.2807 12.2922 12.3014 12.9014 12.9066 13.4208 13.4257 13.5088 13.5191 k = 0.2504 0.4054-0.0000 ( 4293 PWs) bands (ev): -13.3151 -13.3150 -12.9487 -12.9487 -10.8497 -10.8488 -10.3093 -10.3081 -8.6711 -8.6633 -8.6432 -8.6354 -3.4322 -3.4304 -2.1864 -2.1809 -1.6316 -1.6293 -1.2699 -1.2613 -0.9736 -0.9647 0.4469 0.4566 0.5334 0.5359 1.2306 1.2389 1.2537 1.2660 2.3143 2.3286 2.4786 2.4800 2.7037 2.7090 3.1612 3.1680 3.6044 3.6108 3.8855 3.8859 4.0528 4.0558 4.6396 4.6415 5.1457 5.1532 12.2961 12.3059 12.3347 12.3392 12.8930 12.8980 13.4529 13.4629 13.4908 13.4962 k = 0.2590 0.4194-0.0000 ( 4295 PWs) bands (ev): -13.3035 -13.3034 -12.9496 -12.9496 -10.9004 -10.8996 -10.2737 -10.2724 -8.6604 -8.6589 -8.6524 -8.6514 -3.4267 -3.4250 -2.1354 -2.1298 -1.5894 -1.5874 -1.2647 -1.2563 -1.0338 -1.0248 0.3623 0.3717 0.5755 0.5782 1.2135 1.2255 1.2973 1.3056 2.3500 2.3644 2.4387 2.4396 2.6916 2.6968 3.1519 3.1579 3.5983 3.6044 3.9158 3.9164 4.0172 4.0202 4.6583 4.6603 5.1195 5.1271 12.3002 12.3104 12.3873 12.3920 12.8876 12.8924 13.3921 13.4014 13.5580 13.5636 k = 0.2676 0.4334-0.0000 ( 4291 PWs) bands (ev): -13.2921 -13.2920 -12.9505 -12.9505 -10.9496 -10.9490 -10.2369 -10.2355 -8.6753 -8.6679 -8.6503 -8.6422 -3.4230 -3.4213 -2.0836 -2.0779 -1.5501 -1.5482 -1.2549 -1.2467 -1.0933 -1.0843 0.2760 0.2850 0.6161 0.6191 1.1739 1.1860 1.3649 1.3736 2.3841 2.3985 2.4005 2.4013 2.6808 2.6856 3.1414 3.1464 3.5931 3.5989 3.9478 3.9485 3.9820 3.9848 4.6778 4.6799 5.0924 5.1000 12.3042 12.3149 12.4330 12.4378 12.8872 12.8916 13.3273 13.3360 13.6203 13.6260 k = 0.2763 0.4474-0.0000 ( 4287 PWs) bands (ev): -13.2809 -13.2808 -12.9512 -12.9512 -10.9975 -10.9968 -10.1990 -10.1974 -8.6922 -8.6850 -8.6411 -8.6328 -3.4209 -3.4193 -2.0311 -2.0253 -1.5136 -1.5120 -1.2406 -1.2325 -1.1516 -1.1426 0.1883 0.1970 0.6552 0.6584 1.1348 1.1469 1.4335 1.4425 2.3641 2.3645 2.4171 2.4317 2.6711 2.6753 3.1295 3.1335 3.5891 3.5946 3.9468 3.9495 3.9818 3.9826 4.6982 4.7003 5.0645 5.0720 12.3082 12.3192 12.4697 12.4743 12.8940 12.8980 13.2603 13.2685 13.6749 13.6804 k = 0.2849 0.4614-0.0000 ( 4293 PWs) bands (ev): -13.2700 -13.2699 -12.9519 -12.9519 -11.0438 -11.0432 -10.1599 -10.1582 -8.7095 -8.7025 -8.6329 -8.6245 -3.4205 -3.4189 -1.9784 -1.9726 -1.4799 -1.4784 -1.2231 -1.2141 -1.2069 -1.1990 0.0995 0.1078 0.6925 0.6958 1.0960 1.1081 1.5027 1.5120 2.3297 2.3300 2.4489 2.4636 2.6622 2.6658 3.1163 3.1192 3.5861 3.5913 3.9124 3.9150 4.0171 4.0181 4.7192 4.7214 5.0359 5.0434 12.3120 12.3234 12.4953 12.4995 12.9101 12.9134 13.1926 13.2003 13.7199 13.7249 k = 0.2935 0.4753-0.0000 ( 4287 PWs) bands (ev): -13.2594 -13.2593 -12.9525 -12.9525 -11.0885 -11.0880 -10.1197 -10.1179 -8.7269 -8.7202 -8.6258 -8.6173 -3.4217 -3.4201 -1.9261 -1.9202 -1.4487 -1.4472 -1.2624 -1.2526 -1.1990 -1.1920 0.0099 0.0179 0.7277 0.7312 1.0572 1.0693 1.5722 1.5818 2.2973 2.2976 2.4797 2.4945 2.6542 2.6569 3.1018 3.1035 3.5841 3.5891 3.8787 3.8811 4.0541 4.0553 4.7409 4.7432 5.0067 5.0143 12.3157 12.3274 12.5091 12.5127 12.9364 12.9388 13.1255 13.1328 13.7555 13.7599 k = 0.3022 0.4893-0.0000 ( 4279 PWs) bands (ev): -13.2491 -13.2490 -12.9530 -12.9530 -11.1317 -11.1312 -10.0784 -10.0765 -8.7445 -8.7380 -8.6199 -8.6113 -3.4243 -3.4228 -1.8750 -1.8693 -1.4195 -1.4181 -1.3119 -1.3021 -1.1737 -1.1669 -0.0802 -0.0725 0.7608 0.7645 1.0183 1.0304 1.6416 1.6514 2.2669 2.2672 2.5097 2.5245 2.6468 2.6487 3.0860 3.0866 3.5831 3.5879 3.8457 3.8478 4.0926 4.0939 4.7632 4.7657 4.9772 4.9847 12.3189 12.3308 12.5120 12.5150 12.9719 12.9734 13.0602 13.0671 13.7833 13.7870 k = 0.3108 0.5033-0.0000 ( 4275 PWs) bands (ev): -13.2392 -13.2391 -12.9534 -12.9534 -11.1732 -11.1728 -10.0361 -10.0342 -8.7621 -8.7558 -8.6153 -8.6066 -3.4284 -3.4269 -1.8269 -1.8213 -1.3919 -1.3904 -1.3554 -1.3456 -1.1459 -1.1394 -0.1705 -0.1632 0.7916 0.7954 0.9791 0.9913 1.7106 1.7207 2.2387 2.2390 2.5389 2.5538 2.6402 2.6411 3.0685 3.0692 3.5829 3.5876 3.8137 3.8154 4.1326 4.1341 4.7861 4.7886 4.9474 4.9548 12.3214 12.3334 12.5059 12.5083 12.9974 13.0041 13.0147 13.0159 13.8053 13.8084 k = 0.3194 0.5173-0.0000 ( 4279 PWs) bands (ev): -13.2297 -13.2295 -12.9537 -12.9537 -11.2131 -11.2127 -9.9929 -9.9908 -8.7795 -8.7735 -8.6122 -8.6035 -3.4337 -3.4322 -1.7845 -1.7792 -1.3906 -1.3800 -1.3648 -1.3640 -1.1165 -1.1104 -0.2608 -0.2538 0.8199 0.8238 0.9394 0.9516 1.7788 1.7891 2.2124 2.2128 2.5675 2.5823 2.6340 2.6341 3.0495 3.0514 3.5835 3.5881 3.7826 3.7840 4.1739 4.1755 4.8093 4.8120 4.9174 4.9247 12.3227 12.3346 12.4931 12.4951 12.9396 12.9455 13.0625 13.0627 13.8228 13.8254 k = 0.3281 0.5313-0.0000 ( 4281 PWs) bands (ev): -13.2206 -13.2204 -12.9539 -12.9539 -11.2513 -11.2509 -9.9488 -9.9466 -8.7968 -8.7910 -8.6107 -8.6019 -3.4400 -3.4386 -1.7524 -1.7474 -1.4112 -1.4005 -1.3393 -1.3383 -1.0861 -1.0803 -0.3507 -0.3440 0.8457 0.8496 0.8990 0.9112 1.8459 1.8564 2.1882 2.1886 2.5954 2.6102 2.6274 2.6285 3.0297 3.0329 3.5847 3.5894 3.7528 3.7536 4.2164 4.2182 4.8329 4.8357 4.8875 4.8947 12.3220 12.3337 12.4755 12.4772 12.8870 12.8920 13.1133 13.1136 13.8368 13.8389 k = 0.3367 0.5452-0.0000 ( 4289 PWs) bands (ev): -13.2119 -13.2118 -12.9540 -12.9540 -11.2878 -11.2874 -9.9039 -9.9015 -8.8137 -8.8081 -8.6109 -8.6021 -3.4473 -3.4459 -1.7355 -1.7308 -1.4130 -1.4019 -1.3142 -1.3133 -1.0551 -1.0497 -0.4399 -0.4336 0.8571 0.8672 0.8715 0.8735 1.9116 1.9223 2.1660 2.1665 2.6206 2.6214 2.6249 2.6381 3.0095 3.0139 3.5864 3.5914 3.7243 3.7243 4.2600 4.2620 4.8566 4.8578 4.8593 4.8651 12.3186 12.3297 12.4548 12.4561 12.8411 12.8450 13.1660 13.1667 13.8049 13.8130 k = 0.3453 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.2038 -13.2036 -12.9540 -12.9539 -11.3225 -11.3222 -9.8581 -9.8556 -8.8302 -8.8249 -8.6128 -8.6041 -3.4553 -3.4539 -1.7357 -1.7311 -1.3936 -1.3826 -1.2896 -1.2888 -1.0240 -1.0189 -0.5283 -0.5224 0.8150 0.8274 0.8897 0.8938 1.9754 1.9863 2.1458 2.1463 2.6146 2.6182 2.6501 2.6649 2.9890 2.9947 3.5882 3.5939 3.6963 3.6973 4.3046 4.3068 4.8284 4.8352 4.8804 4.8835 12.3117 12.3217 12.4319 12.4331 12.8035 12.8060 13.2200 13.2210 13.7096 13.7176 k = 0.3453 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.2038 -13.2036 -12.9540 -12.9539 -11.3225 -11.3222 -9.8581 -9.8556 -8.8302 -8.8249 -8.6128 -8.6041 -3.4553 -3.4539 -1.7357 -1.7311 -1.3936 -1.3826 -1.2896 -1.2888 -1.0240 -1.0189 -0.5283 -0.5224 0.8150 0.8274 0.8897 0.8938 1.9754 1.9863 2.1458 2.1463 2.6146 2.6182 2.6501 2.6649 2.9890 2.9947 3.5882 3.5939 3.6963 3.6973 4.3046 4.3068 4.8284 4.8352 4.8804 4.8835 12.3117 12.3217 12.4319 12.4331 12.8035 12.8060 13.2200 13.2210 13.7096 13.7176 k = 0.3289 0.5592-0.0000 ( 4287 PWs) bands (ev): -13.2083 -13.2081 -12.9542 -12.9541 -11.3035 -11.3032 -9.8827 -9.8803 -8.8215 -8.8161 -8.6115 -8.6027 -3.4505 -3.4491 -1.7409 -1.7363 -1.4060 -1.3949 -1.3010 -1.3002 -1.0371 -1.0319 -0.4805 -0.4744 0.8380 0.8500 0.8792 0.8836 1.9410 1.9517 2.1572 2.1576 2.6036 2.6096 2.6492 2.6610 3.0005 3.0056 3.5871 3.5924 3.7103 3.7109 4.2815 4.2836 4.8409 4.8465 4.8728 4.8747 12.3155 12.3260 12.4441 12.4455 12.8210 12.8243 13.1918 13.1926 13.7474 13.7547 k = 0.3124 0.5592-0.0000 ( 4285 PWs) bands (ev): -13.2133 -13.2132 -12.9547 -12.9547 -11.2821 -11.2818 -9.9080 -9.9056 -8.8126 -8.8070 -8.6105 -8.6017 -3.4448 -3.4434 -1.7641 -1.7597 -1.4134 -1.4025 -1.3089 -1.3081 -1.0430 -1.0377 -0.4301 -0.4239 0.8524 0.8592 0.8778 0.8871 1.9038 1.9145 2.1710 2.1714 2.5764 2.5847 2.6624 2.6714 3.0132 3.0178 3.5856 3.5909 3.7230 3.7237 4.2600 4.2619 4.8402 4.8418 4.8803 4.8831 12.3188 12.3295 12.4549 12.4568 12.8381 12.8423 13.1645 13.1652 13.7583 13.7638 k = 0.2960 0.5592-0.0000 ( 4290 PWs) bands (ev): -13.2187 -13.2186 -12.9556 -12.9556 -11.2586 -11.2582 -9.9340 -9.9317 -8.8035 -8.7978 -8.6098 -8.6011 -3.4381 -3.4366 -1.8022 -1.7982 -1.4192 -1.4086 -1.3132 -1.3126 -1.0406 -1.0353 -0.3781 -0.3718 0.8417 0.8461 0.9019 0.9135 1.8642 1.8749 2.1870 2.1873 2.5449 2.5540 2.6780 2.6857 3.0267 3.0309 3.5838 3.5892 3.7335 3.7344 4.2409 4.2427 4.8299 4.8308 4.8967 4.9012 12.3228 12.3337 12.4635 12.4660 12.8538 12.8588 13.1383 13.1389 13.7560 13.7603 k = 0.2796 0.5592-0.0000 ( 4285 PWs) bands (ev): -13.2244 -13.2243 -12.9568 -12.9568 -11.2329 -11.2326 -9.9607 -9.9585 -8.7943 -8.7884 -8.6095 -8.6007 -3.4302 -3.4287 -1.8511 -1.8474 -1.4259 -1.4158 -1.3159 -1.3153 -1.0289 -1.0237 -0.3252 -0.3188 0.8245 0.8285 0.9331 0.9451 1.8224 1.8330 2.2050 2.2051 2.5111 2.5206 2.6940 2.7008 3.0407 3.0447 3.5815 3.5873 3.7408 3.7422 4.2252 4.2268 4.8183 4.8195 4.9158 4.9209 12.3285 12.3394 12.4700 12.4732 12.8670 12.8726 13.1136 13.1140 13.7522 13.7559 k = 0.2631 0.5592-0.0000 ( 4296 PWs) bands (ev): -13.2304 -13.2303 -12.9583 -12.9583 -11.2054 -11.2051 -9.9882 -9.9860 -8.7849 -8.7790 -8.6094 -8.6007 -3.4210 -3.4195 -1.9071 -1.9037 -1.4343 -1.4247 -1.3192 -1.3183 -1.0081 -1.0030 -0.2719 -0.2655 0.8054 0.8091 0.9672 0.9794 1.7785 1.7890 2.2244 2.2246 2.4759 2.4854 2.7098 2.7161 3.0551 3.0588 3.5784 3.5848 3.7442 3.7464 4.2135 4.2148 4.8074 4.8088 4.9356 4.9409 12.3362 12.3471 12.4747 12.4784 12.8765 12.8827 13.0906 13.0911 13.7513 13.7545 k = 0.2467 0.5592-0.0000 ( 4303 PWs) bands (ev): -13.2364 -13.2363 -12.9601 -12.9600 -11.1762 -11.1758 -10.0164 -10.0143 -8.7756 -8.7695 -8.6097 -8.6011 -3.4105 -3.4089 -1.9675 -1.9644 -1.4439 -1.4349 -1.3243 -1.3231 -0.9793 -0.9743 -0.2189 -0.2125 0.7854 0.7888 1.0035 1.0157 1.7327 1.7431 2.2448 2.2455 2.4399 2.4491 2.7251 2.7310 3.0695 3.0731 3.5745 3.5815 3.7433 3.7464 4.2060 4.2073 4.7977 4.7993 4.9553 4.9607 12.3461 12.3571 12.4780 12.4822 12.8815 12.8880 13.0696 13.0702 13.7548 13.7577 k = 0.2302 0.5592-0.0000 ( 4305 PWs) bands (ev): -13.2424 -13.2423 -12.9621 -12.9620 -11.1455 -11.1451 -10.0453 -10.0433 -8.7662 -8.7599 -8.6104 -8.6017 -3.3985 -3.3969 -2.0305 -2.0277 -1.4542 -1.4458 -1.3312 -1.3298 -0.9443 -0.9396 -0.1666 -0.1603 0.7650 0.7682 1.0416 1.0538 1.6854 1.6957 2.2651 2.2668 2.4040 2.4125 2.7398 2.7453 3.0839 3.0875 3.5693 3.5770 3.7383 3.7426 4.2028 4.2041 4.7895 4.7911 4.9747 4.9801 12.3585 12.3694 12.4804 12.4850 12.8814 12.8881 13.0506 13.0517 13.7634 13.7661 k = 0.2138 0.5592-0.0000 ( 4300 PWs) bands (ev): -13.2484 -13.2483 -12.9642 -12.9641 -11.1134 -11.1130 -10.0749 -10.0730 -8.7568 -8.7505 -8.6113 -8.6027 -3.3850 -3.3833 -2.0949 -2.0924 -1.4647 -1.4568 -1.3395 -1.3379 -0.9051 -0.9005 -0.1157 -0.1096 0.7452 0.7480 1.0813 1.0935 1.6366 1.6468 2.2818 2.2860 2.3720 2.3780 2.7536 2.7588 3.0982 3.1016 3.5623 3.5709 3.7300 3.7354 4.2034 4.2049 4.7829 4.7846 4.9933 4.9987 12.3732 12.3842 12.4824 12.4874 12.8764 12.8831 13.0336 13.0352 13.7773 13.7797 k = 0.1973 0.5592-0.0000 ( 4306 PWs) bands (ev): -13.2542 -13.2541 -12.9664 -12.9663 -11.0802 -11.0798 -10.1051 -10.1033 -8.7475 -8.7411 -8.6125 -8.6040 -3.3698 -3.3682 -2.1598 -2.1574 -1.4751 -1.4678 -1.3485 -1.3467 -0.8631 -0.8588 -0.0670 -0.0611 0.7266 0.7290 1.1223 1.1344 1.5867 1.5968 2.2820 2.2920 2.3563 2.3569 2.7664 2.7714 3.1121 3.1156 3.5532 3.5624 3.7197 3.7261 4.2070 4.2087 4.7781 4.7799 5.0111 5.0164 12.3902 12.4011 12.4845 12.4897 12.8670 12.8736 13.0182 13.0203 13.7961 13.7981 k = 0.1809 0.5592-0.0000 ( 4310 PWs) bands (ev): -13.2598 -13.2597 -12.9686 -12.9686 -11.0461 -11.0456 -10.1359 -10.1342 -8.7384 -8.7318 -8.6141 -8.6056 -3.3531 -3.3514 -2.2244 -2.2222 -1.4852 -1.4785 -1.3575 -1.3558 -0.8198 -0.8156 -0.0210 -0.0155 0.7103 0.7122 1.1641 1.1761 1.5359 1.5460 2.2560 2.2687 2.3646 2.3670 2.7781 2.7829 3.1256 3.1291 3.5413 3.5511 3.7089 3.7160 4.2127 4.2145 4.7751 4.7769 5.0278 5.0329 12.4090 12.4201 12.4871 12.4927 12.8544 12.8606 13.0037 13.0063 13.8193 13.8209 k = 0.1644 0.5592-0.0000 ( 4311 PWs) bands (ev): -13.2651 -13.2650 -12.9709 -12.9708 -11.0114 -11.0108 -10.1672 -10.1656 -8.7294 -8.7227 -8.6160 -8.6075 -3.3347 -3.3330 -2.2881 -2.2860 -1.4949 -1.4888 -1.3664 -1.3647 -0.7759 -0.7719 0.0210 0.0261 0.6976 0.6988 1.2061 1.2180 1.4849 1.4949 2.2185 2.2313 2.3864 2.3888 2.7886 2.7932 3.1387 3.1422 3.5266 3.5364 3.6988 3.7063 4.2195 4.2214 4.7739 4.7757 5.0432 5.0481 12.4292 12.4404 12.4910 12.4969 12.8395 12.8454 12.9897 12.9928 13.8455 13.8470 k = 0.1480 0.5592-0.0000 ( 4307 PWs) bands (ev): -13.2700 -13.2699 -12.9731 -12.9730 -10.9762 -10.9756 -10.1988 -10.1972 -8.7206 -8.7138 -8.6181 -8.6098 -3.3147 -3.3130 -2.3502 -2.3483 -1.5040 -1.4985 -1.3747 -1.3731 -0.7324 -0.7286 0.0581 0.0626 0.6898 0.6902 1.2469 1.2587 1.4350 1.4451 2.1773 2.1899 2.4117 2.4139 2.7978 2.8023 3.1513 3.1548 3.5089 3.5185 3.6904 3.6978 4.2267 4.2287 4.7744 4.7762 5.0572 5.0619 12.4492 12.4605 12.4974 12.5038 12.8234 12.8290 12.9758 12.9793 13.8482 13.8532 k = 0.1316 0.5592-0.0000 ( 4311 PWs) bands (ev): -13.2746 -13.2745 -12.9752 -12.9751 -10.9410 -10.9404 -10.2306 -10.2291 -8.7121 -8.7051 -8.6207 -8.6123 -3.2933 -3.2916 -2.4104 -2.4086 -1.5125 -1.5076 -1.3823 -1.3808 -0.6900 -0.6864 0.0891 0.0928 0.6878 0.6884 1.2811 1.2924 1.3916 1.4022 2.1347 2.1471 2.4378 2.4398 2.8056 2.8099 3.1634 3.1669 3.4888 3.4978 3.6840 3.6908 4.2338 4.2356 4.7763 4.7781 5.0698 5.0742 12.4666 12.4772 12.5091 12.5158 12.8071 12.8123 12.9617 12.9656 13.8129 13.8169 k = 0.1151 0.5592-0.0000 ( 4312 PWs) bands (ev): -13.2787 -13.2787 -12.9771 -12.9771 -10.9060 -10.9054 -10.2622 -10.2608 -8.7038 -8.6968 -8.6235 -8.6153 -3.2708 -3.2691 -2.4679 -2.4662 -1.5202 -1.5158 -1.3890 -1.3877 -0.6495 -0.6461 0.1130 0.1159 0.6929 0.6946 1.2844 1.2945 1.3786 1.3905 2.0915 2.1036 2.4637 2.4656 2.8120 2.8161 3.1749 3.1784 3.4671 3.4753 3.6793 3.6854 4.2402 4.2419 4.7795 4.7812 5.0808 5.0849 12.4793 12.4883 12.5277 12.5343 12.7914 12.7962 12.9472 12.9514 13.7759 13.7795 k = 0.0987 0.5592-0.0000 ( 4306 PWs) bands (ev): -13.2824 -13.2823 -12.9789 -12.9788 -10.8717 -10.8711 -10.2933 -10.2920 -8.6959 -8.6888 -8.6267 -8.6185 -3.2473 -3.2457 -2.5222 -2.5206 -1.5270 -1.5233 -1.3949 -1.3938 -0.6115 -0.6085 0.1296 0.1317 0.7063 0.7092 1.2466 1.2559 1.4067 1.4185 2.0482 2.0600 2.4887 2.4904 2.8170 2.8209 3.1858 3.1893 3.4447 3.4520 3.6762 3.6814 4.2458 4.2473 4.7835 4.7852 5.0904 5.0939 12.4885 12.4960 12.5505 12.5567 12.7775 12.7816 12.9322 12.9368 13.7392 13.7425 k = 0.0822 0.5592-0.0000 ( 4310 PWs) bands (ev): -13.2855 -13.2855 -12.9804 -12.9804 -10.8389 -10.8383 -10.3234 -10.3222 -8.6882 -8.6811 -8.6302 -8.6221 -3.2237 -3.2222 -2.5722 -2.5708 -1.5328 -1.5297 -1.3999 -1.3989 -0.5769 -0.5742 0.1393 0.1407 0.7280 0.7320 1.1968 1.2058 1.4461 1.4574 2.0055 2.0169 2.5119 2.5135 2.8206 2.8242 3.1962 3.1995 3.4227 3.4291 3.6741 3.6785 4.2504 4.2517 4.7880 4.7894 5.0983 5.1015 12.4960 12.5024 12.5741 12.5796 12.7664 12.7698 12.9167 12.9215 13.7044 13.7073 k = 0.0658 0.5592-0.0000 ( 4308 PWs) bands (ev): -13.2882 -13.2881 -12.9817 -12.9817 -10.8082 -10.8077 -10.3516 -10.3505 -8.6810 -8.6738 -8.6340 -8.6261 -3.2007 -3.1993 -2.6171 -2.6158 -1.5376 -1.5352 -1.4039 -1.4032 -0.5466 -0.5443 0.1435 0.1443 0.7573 0.7622 1.1443 1.1530 1.4868 1.4975 1.9644 1.9751 2.5327 2.5341 2.8231 2.8262 3.2059 3.2090 3.4022 3.4075 3.6729 3.6764 4.2540 4.2551 4.7924 4.7937 5.1048 5.1074 12.5028 12.5082 12.5957 12.6001 12.7598 12.7624 12.9006 12.9055 13.6730 13.6754 k = 0.0493 0.5592-0.0000 ( 4310 PWs) bands (ev): -13.2902 -13.2902 -12.9828 -12.9827 -10.7811 -10.7806 -10.3767 -10.3758 -8.6742 -8.6671 -8.6380 -8.6304 -3.1796 -3.1785 -2.6553 -2.6542 -1.5414 -1.5396 -1.4071 -1.4065 -0.5214 -0.5196 0.1438 0.1443 0.7929 0.7986 1.0916 1.1000 1.5257 1.5353 1.9263 1.9360 2.5502 2.5514 2.8246 2.8272 3.2147 3.2174 3.3842 3.3884 3.6723 3.6748 4.2568 4.2576 4.7964 4.7974 5.1099 5.1119 12.5090 12.5133 12.6128 12.6157 12.7586 12.7612 12.8842 12.8891 13.6466 13.6485 k = 0.0329 0.5592-0.0000 ( 4312 PWs) bands (ev): -13.2917 -13.2917 -12.9835 -12.9835 -10.7592 -10.7588 -10.3971 -10.3965 -8.6678 -8.6611 -8.6419 -8.6349 -3.1621 -3.1613 -2.6849 -2.6841 -1.5440 -1.5428 -1.4093 -1.4089 -0.5025 -0.5012 0.1423 0.1426 0.8331 0.8393 1.0398 1.0478 1.5600 1.5677 1.8940 1.9017 2.5636 2.5645 2.8255 2.8273 3.2222 3.2243 3.3699 3.3730 3.6721 3.6738 4.2587 4.2593 4.7996 4.8003 5.1136 5.1149 12.5142 12.5173 12.6238 12.6255 12.7632 12.7661 12.8685 12.8730 13.6267 13.6280 k = 0.0164 0.5592-0.0000 ( 4314 PWs) bands (ev): -13.2926 -13.2926 -12.9840 -12.9840 -10.7446 -10.7444 -10.4106 -10.4103 -8.6621 -8.6571 -8.6447 -8.6395 -3.1503 -3.1499 -2.7038 -2.7033 -1.5455 -1.5449 -1.4106 -1.4104 -0.4905 -0.4899 0.1407 0.1408 0.8751 0.8812 0.9918 0.9987 1.5855 1.5900 1.8717 1.8762 2.5722 2.5726 2.8261 2.8270 3.2276 3.2287 3.3609 3.3625 3.6722 3.6730 4.2599 4.2602 4.8018 4.8021 5.1159 5.1165 12.5180 12.5196 12.6293 12.6300 12.7711 12.7734 12.8562 12.8592 13.6143 13.6150 k = 0.0000 0.5592-0.0000 ( 4316 PWs) bands (ev): -13.2929 -13.2929 -12.9841 -12.9841 -10.7394 -10.7394 -10.4153 -10.4153 -8.6578 -8.6578 -8.6436 -8.6436 -3.1460 -3.1460 -2.7102 -2.7102 -1.5458 -1.5458 -1.4109 -1.4109 -0.4863 -0.4863 0.1400 0.1400 0.9050 0.9050 0.9662 0.9662 1.5967 1.5967 1.8651 1.8651 2.5752 2.5752 2.8265 2.8265 3.2299 3.2299 3.3583 3.3583 3.6725 3.6725 4.2604 4.2604 4.8026 4.8026 5.1169 5.1169 12.5199 12.5199 12.6310 12.6310 12.7762 12.7762 12.8522 12.8522 13.6103 13.6103 k = 0.0000 0.5592-0.0000 ( 4316 PWs) bands (ev): -13.2929 -13.2929 -12.9841 -12.9841 -10.7394 -10.7394 -10.4153 -10.4153 -8.6578 -8.6578 -8.6436 -8.6436 -3.1460 -3.1460 -2.7102 -2.7102 -1.5458 -1.5458 -1.4109 -1.4109 -0.4863 -0.4863 0.1400 0.1400 0.9050 0.9050 0.9662 0.9662 1.5967 1.5967 1.8651 1.8651 2.5752 2.5752 2.8265 2.8265 3.2299 3.2299 3.3583 3.3583 3.6725 3.6725 4.2604 4.2604 4.8026 4.8026 5.1169 5.1169 12.5199 12.5199 12.6310 12.6310 12.7762 12.7762 12.8522 12.8522 13.6103 13.6103 k = 0.0000 0.5592 0.0163 ( 4318 PWs) bands (ev): -13.2927 -13.2926 -12.9842 -12.9842 -10.7386 -10.7385 -10.4147 -10.4146 -8.6594 -8.6593 -8.6453 -8.6453 -3.1455 -3.1454 -2.7095 -2.7093 -1.5452 -1.5452 -1.4084 -1.4082 -0.4849 -0.4847 0.1392 0.1394 0.9028 0.9030 0.9642 0.9645 1.5970 1.5971 1.8659 1.8659 2.5729 2.5730 2.8272 2.8272 3.2318 3.2319 3.3589 3.3590 3.6720 3.6721 4.2606 4.2607 4.8026 4.8026 5.1166 5.1166 12.5171 12.5175 12.6229 12.6238 12.7814 12.7825 12.8472 12.8474 13.6148 13.6148 k = 0.0000 0.5592 0.0326 ( 4318 PWs) bands (ev): -13.2919 -13.2919 -12.9845 -12.9845 -10.7361 -10.7361 -10.4128 -10.4127 -8.6642 -8.6639 -8.6506 -8.6505 -3.1440 -3.1438 -2.7074 -2.7070 -1.5434 -1.5433 -1.4008 -1.4003 -0.4804 -0.4800 0.1369 0.1373 0.8965 0.8968 0.9584 0.9591 1.5981 1.5981 1.8681 1.8682 2.5661 2.5663 2.8291 2.8292 3.2375 3.2375 3.3607 3.3609 3.6707 3.6708 4.2614 4.2616 4.8027 4.8028 5.1159 5.1159 12.5090 12.5098 12.6023 12.6036 12.7957 12.7975 12.8330 12.8334 13.6273 13.6275 k = 0.0000 0.5592 0.0489 ( 4310 PWs) bands (ev): -13.2907 -13.2907 -12.9850 -12.9849 -10.7321 -10.7321 -10.4097 -10.4095 -8.6720 -8.6716 -8.6593 -8.6592 -3.1415 -3.1411 -2.7039 -2.7033 -1.5405 -1.5404 -1.3880 -1.3873 -0.4729 -0.4723 0.1331 0.1337 0.8863 0.8868 0.9490 0.9500 1.5997 1.5997 1.8717 1.8718 2.5552 2.5554 2.8322 2.8324 3.2465 3.2466 3.3638 3.3641 3.6686 3.6687 4.2627 4.2630 4.8029 4.8030 5.1148 5.1148 12.4956 12.4968 12.5740 12.5753 12.8085 12.8100 12.8174 12.8186 13.6461 13.6464 k = 0.0000 0.5592 0.0652 ( 4306 PWs) bands (ev): -13.2890 -13.2889 -12.9856 -12.9856 -10.7264 -10.7264 -10.4053 -10.4051 -8.6830 -8.6824 -8.6714 -8.6713 -3.1379 -3.1374 -2.6990 -2.6983 -1.5364 -1.5363 -1.3703 -1.3693 -0.4624 -0.4615 0.1277 0.1284 0.8729 0.8735 0.9364 0.9377 1.6015 1.6016 1.8764 1.8764 2.5408 2.5410 2.8364 2.8367 3.2583 3.2585 3.3682 3.3685 3.6656 3.6658 4.2645 4.2649 4.8031 4.8032 5.1131 5.1131 12.4771 12.4786 12.5410 12.5422 12.7827 12.7839 12.8369 12.8387 13.6684 13.6689 k = 0.0000 0.5592 0.0815 ( 4310 PWs) bands (ev): -13.2868 -13.2867 -12.9864 -12.9864 -10.7191 -10.7191 -10.3997 -10.3995 -8.6970 -8.6963 -8.6867 -8.6866 -3.1332 -3.1326 -2.6928 -2.6919 -1.5314 -1.5313 -1.3477 -1.3465 -0.4486 -0.4476 0.1206 0.1215 0.8566 0.8574 0.9208 0.9225 1.6033 1.6034 1.8817 1.8817 2.5234 2.5237 2.8416 2.8419 3.2725 3.2726 3.3738 3.3742 3.6617 3.6620 4.2668 4.2673 4.8033 4.8034 5.1110 5.1110 12.4537 12.4555 12.5053 12.5062 12.7520 12.7533 12.8588 12.8606 13.6914 13.6923 k = 0.0000 0.5592 0.0979 ( 4308 PWs) bands (ev): -13.2841 -13.2840 -12.9875 -12.9874 -10.7102 -10.7102 -10.3928 -10.3925 -8.7140 -8.7131 -8.7051 -8.7049 -3.1275 -3.1267 -2.6854 -2.6844 -1.5255 -1.5254 -1.3206 -1.3191 -0.4317 -0.4305 0.1117 0.1128 0.8384 0.8392 0.9028 0.9047 1.6048 1.6049 1.8873 1.8874 2.5038 2.5041 2.8474 2.8478 3.2882 3.2884 3.3807 3.3811 3.6570 3.6573 4.2695 4.2701 4.8036 4.8037 5.1084 5.1085 12.4257 12.4276 12.4681 12.4686 12.7198 12.7212 12.8811 12.8826 13.7125 13.7137 k = 0.0000 0.5592 0.1142 ( 4302 PWs) bands (ev): -13.2810 -13.2809 -12.9887 -12.9887 -10.6997 -10.6997 -10.3847 -10.3844 -8.7342 -8.7331 -8.7263 -8.7261 -3.1206 -3.1198 -2.6770 -2.6758 -1.5189 -1.5187 -1.2893 -1.2875 -0.4116 -0.4102 0.1009 0.1021 0.8188 0.8198 0.8827 0.8849 1.6057 1.6059 1.8927 1.8928 2.4827 2.4830 2.8537 2.8541 3.3050 3.3052 3.3889 3.3892 3.6516 3.6518 4.2725 4.2731 4.8038 4.8040 5.1054 5.1054 12.3938 12.3958 12.4304 12.4305 12.6876 12.6889 12.9033 12.9045 13.7296 13.7312 k = 0.0000 0.5592 0.1305 ( 4300 PWs) bands (ev): -13.2774 -13.2773 -12.9901 -12.9901 -10.6876 -10.6876 -10.3753 -10.3749 -8.7575 -8.7564 -8.7498 -8.7496 -3.1127 -3.1118 -2.6677 -2.6664 -1.5117 -1.5115 -1.2539 -1.2519 -0.3882 -0.3866 0.0881 0.0895 0.7987 0.7998 0.8609 0.8634 1.6057 1.6059 1.8974 1.8975 2.4607 2.4610 2.8601 2.8605 3.3222 3.3225 3.3982 3.3985 3.6454 3.6456 4.2757 4.2765 4.8041 4.8042 5.1018 5.1018 12.3589 12.3607 12.3927 12.3930 12.6565 12.6577 12.9253 12.9262 13.7416 13.7436 k = 0.0000 0.5592 0.1468 ( 4302 PWs) bands (ev): -13.2734 -13.2733 -12.9918 -12.9917 -10.6739 -10.6738 -10.3647 -10.3643 -8.7841 -8.7832 -8.7751 -8.7751 -3.1037 -3.1027 -2.6575 -2.6562 -1.5039 -1.5038 -1.2150 -1.2128 -0.3615 -0.3597 0.0731 0.0747 0.7788 0.7800 0.8380 0.8407 1.6048 1.6050 1.9008 1.9010 2.4385 2.4387 2.8663 2.8667 3.3394 3.3396 3.4086 3.4088 3.6385 3.6387 4.2790 4.2799 4.8043 4.8045 5.0977 5.0978 12.3220 12.3236 12.3561 12.3567 12.6269 12.6279 12.9469 12.9473 13.7486 13.7508 k = 0.0000 0.5592 0.1631 ( 4298 PWs) bands (ev): -13.2689 -13.2689 -12.9936 -12.9936 -10.6586 -10.6585 -10.3528 -10.3524 -8.8139 -8.8130 -8.8026 -8.8023 -3.0936 -3.0925 -2.6468 -2.6454 -1.4958 -1.4957 -1.1730 -1.1706 -0.3316 -0.3296 0.0561 0.0579 0.7596 0.7609 0.8144 0.8173 1.6026 1.6029 1.9025 1.9027 2.4168 2.4169 2.8720 2.8724 3.3560 3.3563 3.4199 3.4200 3.6313 3.6315 4.2823 4.2833 4.8045 4.8047 5.0932 5.0932 12.2843 12.2855 12.3215 12.3223 12.5992 12.6000 12.9677 12.9677 13.7511 13.7535 k = 0.0000 0.5592 0.1794 ( 4296 PWs) bands (ev): -13.2641 -13.2640 -12.9957 -12.9956 -10.6418 -10.6416 -10.3397 -10.3392 -8.8464 -8.8457 -8.8319 -8.8314 -3.0824 -3.0812 -2.6357 -2.6342 -1.4874 -1.4873 -1.1285 -1.1258 -0.2985 -0.2964 0.0372 0.0391 0.7420 0.7434 0.7904 0.7936 1.5992 1.5995 1.9018 1.9022 2.3961 2.3962 2.8770 2.8773 3.3718 3.3721 3.4316 3.4317 3.6240 3.6241 4.2854 4.2865 4.8046 4.8049 5.0881 5.0882 12.2469 12.2477 12.2896 12.2905 12.5736 12.5741 12.9870 12.9874 13.7502 13.7528 k = 0.0000 0.5592 0.1957 ( 4298 PWs) bands (ev): -13.2589 -13.2588 -12.9980 -12.9979 -10.6233 -10.6232 -10.3254 -10.3248 -8.8814 -8.8808 -8.8631 -8.8625 -3.0701 -3.0688 -2.6244 -2.6229 -1.4787 -1.4787 -1.0820 -1.0791 -0.2624 -0.2601 0.0164 0.0185 0.7262 0.7277 0.7666 0.7700 1.5945 1.5948 1.8984 1.8989 2.3770 2.3771 2.8808 2.8810 3.3864 3.3867 3.4431 3.4436 3.6172 3.6173 4.2882 4.2893 4.8048 4.8051 5.0825 5.0826 12.2109 12.2113 12.2609 12.2620 12.5501 12.5504 13.0048 13.0057 13.7472 13.7498 k = 0.0000 0.5592 0.2120 ( 4306 PWs) bands (ev): -13.2533 -13.2532 -13.0005 -13.0005 -10.6033 -10.6032 -10.3098 -10.3092 -8.9186 -8.9180 -8.8960 -8.8953 -3.0567 -3.0554 -2.6131 -2.6116 -1.4699 -1.4698 -1.0344 -1.0312 -0.2234 -0.2210 -0.0057 -0.0034 0.7128 0.7143 0.7432 0.7469 1.5885 1.5888 1.8918 1.8924 2.3599 2.3601 2.8832 2.8833 3.3995 3.3998 3.4537 3.4545 3.6116 3.6120 4.2904 4.2916 4.8051 4.8053 5.0765 5.0766 12.1772 12.1772 12.2362 12.2375 12.5289 12.5289 13.0207 13.0221 13.7430 13.7456 k = 0.0000 0.5592 0.2283 ( 4310 PWs) bands (ev): -13.2474 -13.2473 -13.0033 -13.0032 -10.5818 -10.5816 -10.2930 -10.2924 -8.9579 -8.9573 -8.9305 -8.9297 -3.0423 -3.0409 -2.6020 -2.6005 -1.4609 -1.4607 -0.9865 -0.9831 -0.1819 -0.1793 -0.0285 -0.0262 0.7020 0.7035 0.7209 0.7248 1.5812 1.5815 1.8817 1.8824 2.3453 2.3456 2.8839 2.8840 3.4110 3.4113 3.4621 3.4633 3.6088 3.6094 4.2919 4.2932 4.8055 4.8057 5.0699 5.0701 12.1465 12.1468 12.2158 12.2173 12.5098 12.5100 13.0343 13.0361 13.7385 13.7411 k = 0.0000 0.5592 0.2446 ( 4306 PWs) bands (ev): -13.2412 -13.2411 -13.0063 -13.0062 -10.5587 -10.5585 -10.2751 -10.2744 -8.9989 -8.9983 -8.9665 -8.9656 -3.0269 -3.0254 -2.5913 -2.5899 -1.4516 -1.4514 -0.9393 -0.9357 -0.1382 -0.1355 -0.0513 -0.0489 0.6941 0.6953 0.7003 0.7040 1.5725 1.5728 1.8679 1.8687 2.3334 2.3337 2.8827 2.8827 3.4207 3.4210 3.4667 3.4684 3.6102 3.6111 4.2924 4.2938 4.8061 4.8063 5.0629 5.0631 12.1197 12.1204 12.2003 12.2020 12.4930 12.4934 13.0450 13.0472 13.7342 13.7369 k = 0.0000 0.5592 0.2609 ( 4308 PWs) bands (ev): -13.2347 -13.2345 -13.0096 -13.0095 -10.5341 -10.5340 -10.2559 -10.2552 -9.0414 -9.0409 -9.0038 -9.0028 -3.0105 -3.0090 -2.5812 -2.5800 -1.4420 -1.4417 -0.8943 -0.8905 -0.0930 -0.0903 -0.0727 -0.0702 0.6804 0.6852 0.6892 0.6913 1.5626 1.5629 1.8503 1.8513 2.3243 2.3247 2.8794 2.8794 3.4284 3.4287 3.4666 3.4686 3.6170 3.6182 4.2918 4.2932 4.8070 4.8072 5.0554 5.0557 12.0976 12.0985 12.1900 12.1919 12.4789 12.4794 13.0524 13.0550 13.7307 13.7333 k = 0.0000 0.5592 0.2773 ( 4302 PWs) bands (ev): -13.2279 -13.2277 -13.0131 -13.0130 -10.5081 -10.5079 -10.2356 -10.2349 -9.0854 -9.0848 -9.0422 -9.0412 -2.9932 -2.9916 -2.5721 -2.5709 -1.4319 -1.4314 -0.8528 -0.8489 -0.0925 -0.0899 -0.0460 -0.0432 0.6639 0.6687 0.6875 0.6894 1.5514 1.5516 1.8292 1.8302 2.3180 2.3185 2.8737 2.8737 3.4342 3.4345 3.4618 3.4640 3.6294 3.6306 4.2898 4.2912 4.8083 4.8084 5.0475 5.0478 12.0807 12.0818 12.1852 12.1873 12.4673 12.4679 13.0561 13.0592 13.7280 13.7306 k = 0.0000 0.5592 0.2936 ( 4298 PWs) bands (ev): -13.2208 -13.2207 -13.0169 -13.0168 -10.4806 -10.4804 -10.2142 -10.2135 -9.1304 -9.1299 -9.0816 -9.0805 -2.9750 -2.9733 -2.5640 -2.5630 -1.4212 -1.4206 -0.8168 -0.8127 -0.1076 -0.1049 0.0004 0.0033 0.6504 0.6554 0.6891 0.6909 1.5389 1.5391 1.8046 1.8056 2.3143 2.3148 2.8655 2.8657 3.4381 3.4384 3.4532 3.4557 3.6463 3.6474 4.2863 4.2877 4.8100 4.8102 5.0393 5.0396 12.0694 12.0707 12.1861 12.1883 12.4584 12.4592 13.0560 13.0596 13.7264 13.7288 k = 0.0000 0.5592 0.3099 ( 4298 PWs) bands (ev): -13.2136 -13.2134 -13.0210 -13.0208 -10.4516 -10.4514 -10.1917 -10.1909 -9.1764 -9.1759 -9.1217 -9.1206 -2.9560 -2.9542 -2.5572 -2.5564 -1.4097 -1.4089 -0.7882 -0.7840 -0.1171 -0.1142 0.0461 0.0489 0.6409 0.6461 0.6939 0.6958 1.5251 1.5254 1.7768 1.7780 2.3130 2.3135 2.8548 2.8550 3.4395 3.4400 3.4426 3.4453 3.6666 3.6677 4.2811 4.2825 4.8123 4.8124 5.0307 5.0310 12.0640 12.0654 12.1927 12.1951 12.4523 12.4531 13.0520 13.0559 13.7196 13.7225 k = 0.0000 0.5592 0.3262 ( 4306 PWs) bands (ev): -13.2061 -13.2060 -13.0253 -13.0251 -10.4213 -10.4211 -10.1682 -10.1674 -9.2232 -9.2227 -9.1625 -9.1613 -2.9362 -2.9344 -2.5519 -2.5513 -1.3972 -1.3962 -0.7685 -0.7643 -0.1194 -0.1163 0.0894 0.0923 0.6364 0.6417 0.7022 0.7041 1.5101 1.5103 1.7463 1.7474 2.3139 2.3144 2.8414 2.8416 3.4297 3.4317 3.4405 3.4409 3.6894 3.6904 4.2741 4.2755 4.8152 4.8153 5.0218 5.0222 12.0647 12.0662 12.2051 12.2078 12.4490 12.4498 13.0440 13.0484 13.6740 13.6764 k = 0.0000 0.5592 0.3425 ( 4310 PWs) bands (ev): -13.1985 -13.1984 -13.0299 -13.0297 -10.3897 -10.3895 -10.1437 -10.1428 -9.2704 -9.2699 -9.2037 -9.2025 -2.9157 -2.9139 -2.5483 -2.5479 -1.3835 -1.3823 -0.7591 -0.7549 -0.1137 -0.1105 0.1290 0.1317 0.6382 0.6434 0.7141 0.7159 1.4937 1.4938 1.7132 1.7143 2.3168 2.3173 2.8253 2.8255 3.4169 3.4191 3.4388 3.4391 3.7139 3.7148 4.2653 4.2666 4.8187 4.8188 5.0127 5.0131 12.0716 12.0732 12.2232 12.2261 12.4485 12.4493 13.0325 13.0374 13.6204 13.6230 k = 0.0000 0.5592 0.3588 ( 4310 PWs) bands (ev): -13.1908 -13.1906 -13.0347 -13.0346 -10.3568 -10.3565 -10.1184 -10.1174 -9.3179 -9.3174 -9.2452 -9.2440 -2.8947 -2.8929 -2.5465 -2.5463 -1.3684 -1.3670 -0.7598 -0.7557 -0.1002 -0.0968 0.1632 0.1656 0.6474 0.6524 0.7296 0.7314 1.4759 1.4760 1.6778 1.6790 2.3216 2.3221 2.8064 2.8066 3.4042 3.4065 3.4355 3.4359 3.7397 3.7405 4.2546 4.2559 4.8229 4.8229 5.0034 5.0038 12.0848 12.0865 12.2467 12.2498 12.4509 12.4517 13.0180 13.0233 13.5598 13.5628 k = 0.0000 0.5592 0.3751 ( 4308 PWs) bands (ev): -13.1829 -13.1828 -13.0398 -13.0397 -10.3226 -10.3224 -10.0923 -10.0913 -9.3654 -9.3649 -9.2869 -9.2856 -2.8731 -2.8713 -2.5467 -2.5466 -1.3517 -1.3502 -0.7700 -0.7660 -0.0800 -0.0764 0.1908 0.1926 0.6649 0.6696 0.7489 0.7506 1.4567 1.4568 1.6404 1.6415 2.3283 2.3287 2.7850 2.7851 3.3923 3.3946 3.4308 3.4313 3.7664 3.7670 4.2420 4.2432 4.8277 4.8277 4.9940 4.9944 12.1041 12.1058 12.2752 12.2787 12.4562 12.4569 13.0009 13.0068 13.4931 13.4964 k = 0.0000 0.5592 0.3914 ( 4310 PWs) bands (ev): -13.1750 -13.1748 -13.0452 -13.0450 -10.2874 -10.2871 -10.0656 -10.0646 -9.4126 -9.4121 -9.3284 -9.3272 -2.8512 -2.8493 -2.5490 -2.5489 -1.3334 -1.3317 -0.7881 -0.7842 -0.0550 -0.0512 0.2109 0.2121 0.6907 0.6949 0.7719 0.7735 1.4360 1.4360 1.6012 1.6022 2.3367 2.3370 2.7610 2.7612 3.3814 3.3838 3.4249 3.4255 3.7936 3.7941 4.2277 4.2288 4.8331 4.8332 4.9845 4.9849 12.1295 12.1312 12.3082 12.3120 12.4644 12.4649 12.9823 12.9887 13.4214 13.4249 k = 0.0000 0.5592 0.4077 ( 4318 PWs) bands (ev): -13.1670 -13.1668 -13.0508 -13.0506 -10.2511 -10.2508 -10.0387 -10.0377 -9.4591 -9.4586 -9.3697 -9.3685 -2.8289 -2.8271 -2.5535 -2.5531 -1.3132 -1.3114 -0.8124 -0.8085 -0.0270 -0.0231 0.2238 0.2244 0.7240 0.7277 0.7987 0.8002 1.4137 1.4138 1.5603 1.5614 2.3469 2.3472 2.7350 2.7351 3.3720 3.3743 3.4180 3.4188 3.8211 3.8216 4.2117 4.2127 4.8391 4.8392 4.9749 4.9754 12.1607 12.1624 12.3448 12.3489 12.4754 12.4758 12.9629 12.9700 13.3461 13.3499 k = 0.0000 0.5592 0.4240 ( 4316 PWs) bands (ev): -13.1590 -13.1588 -13.0567 -13.0565 -10.2138 -10.2135 -10.0119 -10.0109 -9.5043 -9.5038 -9.4106 -9.4093 -2.8065 -2.8047 -2.5600 -2.5595 -1.2912 -1.2891 -0.8413 -0.8375 0.0023 0.0062 0.2303 0.2304 0.7633 0.7664 0.8290 0.8303 1.3898 1.3900 1.5181 1.5191 2.3589 2.3591 2.7070 2.7071 3.3642 3.3666 3.4104 3.4114 3.8489 3.8493 4.1941 4.1951 4.8455 4.8457 4.9654 4.9658 12.1972 12.1988 12.3836 12.3881 12.4894 12.4895 12.9441 12.9519 13.2690 13.2730 k = 0.0000 0.5592 0.4403 ( 4312 PWs) bands (ev): -13.1510 -13.1508 -13.0628 -13.0627 -10.1759 -10.1756 -9.9859 -9.9849 -9.5475 -9.5470 -9.4508 -9.4495 -2.7841 -2.7823 -2.5686 -2.5679 -1.2672 -1.2650 -0.8734 -0.8697 0.0314 0.0354 0.2310 0.2317 0.8066 0.8092 0.8625 0.8636 1.3644 1.3646 1.4748 1.4758 2.3729 2.3730 2.6777 2.6778 3.3582 3.3605 3.4024 3.4035 3.8767 3.8770 4.1751 4.1759 4.8525 4.8527 4.9558 4.9563 12.2384 12.2399 12.4226 12.4276 12.5062 12.5064 12.9271 12.9356 13.1921 13.1964 k = 0.0000 0.5592 0.4566 ( 4306 PWs) bands (ev): -13.1430 -13.1428 -13.0692 -13.0690 -10.1374 -10.1371 -9.9619 -9.9609 -9.5875 -9.5870 -9.4900 -9.4887 -2.7618 -2.7599 -2.5791 -2.5782 -1.2414 -1.2390 -0.9076 -0.9040 0.0595 0.0634 0.2276 0.2288 0.8520 0.8542 0.8983 0.8992 1.3378 1.3380 1.4308 1.4318 2.3888 2.3889 2.6475 2.6475 3.3540 3.3563 3.3941 3.3954 3.9044 3.9046 4.1547 4.1555 4.8598 4.8601 4.9464 4.9468 12.2834 12.2848 12.4592 12.4645 12.5261 12.5266 12.9125 12.9215 13.1190 13.1235 k = 0.0000 0.5592 0.4730 ( 4310 PWs) bands (ev): -13.1350 -13.1349 -13.0758 -13.0756 -10.0988 -10.0984 -9.9418 -9.9408 -9.6222 -9.6216 -9.5278 -9.5266 -2.7397 -2.7379 -2.5915 -2.5905 -1.2136 -1.2111 -0.9431 -0.9397 0.0859 0.0897 0.2209 0.2226 0.8976 0.8993 0.9355 0.9361 1.3105 1.3107 1.3868 1.3878 2.4068 2.4068 2.6167 2.6168 3.3517 3.3539 3.3860 3.3873 3.9319 3.9320 4.1332 4.1339 4.8675 4.8678 4.9370 4.9374 12.3310 12.3323 12.4896 12.4950 12.5498 12.5507 12.8977 12.9063 13.0578 13.0617 k = 0.0000 0.5592 0.4893 ( 4316 PWs) bands (ev): -13.1272 -13.1270 -13.0826 -13.0824 -10.0605 -10.0601 -9.9286 -9.9277 -9.6486 -9.6479 -9.5638 -9.5626 -2.7180 -2.7162 -2.6057 -2.6045 -1.1841 -1.1814 -0.9793 -0.9759 0.1102 0.1139 0.2115 0.2137 0.9413 0.9428 0.9719 0.9722 1.2839 1.2841 1.3439 1.3448 2.4269 2.4269 2.5861 2.5862 3.3511 3.3533 3.3781 3.3796 3.9591 3.9591 4.1107 4.1112 4.8755 4.8758 4.9277 4.9282 12.3790 12.3802 12.5100 12.5151 12.5782 12.5794 12.8710 12.8766 13.0266 13.0277 k = 0.0000 0.5592 0.5056 ( 4316 PWs) bands (ev): -13.1194 -13.1192 -13.0896 -13.0894 -10.0233 -10.0229 -9.9261 -9.9254 -9.6628 -9.6620 -9.5971 -9.5959 -2.6968 -2.6952 -2.6214 -2.6201 -1.1529 -1.1501 -1.0154 -1.0121 0.1324 0.1359 0.1999 0.2024 0.9807 0.9820 1.0041 1.0041 1.2609 1.2610 1.3039 1.3048 2.4490 2.4491 2.5560 2.5561 3.3522 3.3543 3.3709 3.3725 3.9858 3.9859 4.0872 4.0876 4.8837 4.8840 4.9186 4.9190 12.4244 12.4257 12.5177 12.5221 12.6129 12.6144 12.8233 12.8252 13.0339 13.0359 k = 0.0000 0.5592 0.5219 ( 4314 PWs) bands (ev): -13.1117 -13.1115 -13.0968 -13.0966 -9.9886 -9.9881 -9.9366 -9.9359 -9.6626 -9.6616 -9.6263 -9.6251 -2.6764 -2.6748 -2.6385 -2.6371 -1.1202 -1.1173 -1.0512 -1.0480 0.1524 0.1557 0.1861 0.1889 1.0119 1.0129 1.0255 1.0259 1.2470 1.2473 1.2705 1.2713 2.4731 2.4732 2.5269 2.5270 3.3549 3.3569 3.3644 3.3662 4.0121 4.0123 4.0629 4.0632 4.8921 4.8925 4.9096 4.9100 12.4637 12.4654 12.5119 12.5153 12.6557 12.6572 12.7653 12.7654 13.0709 13.0740 k = 0.0000 0.5592 0.5382 ( 4316 PWs) bands (ev): -13.1042 -13.1042 -13.1040 -13.1040 -9.9586 -9.9586 -9.9581 -9.9581 -9.6492 -9.6492 -9.6481 -9.6481 -2.6570 -2.6570 -2.6554 -2.6554 -1.0862 -1.0862 -1.0832 -1.0832 0.1703 0.1703 0.1734 0.1734 1.0287 1.0287 1.0295 1.0295 1.2496 1.2496 1.2502 1.2502 2.4992 2.4992 2.4993 2.4993 3.3591 3.3591 3.3610 3.3610 4.0378 4.0378 4.0381 4.0381 4.9008 4.9008 4.9012 4.9012 12.4935 12.4935 12.4959 12.4959 12.7071 12.7071 12.7083 12.7083 13.1270 13.1270 k = 0.0000 0.5592 0.5382 ( 4316 PWs) bands (ev): -13.1042 -13.1042 -13.1040 -13.1040 -9.9586 -9.9586 -9.9581 -9.9581 -9.6492 -9.6492 -9.6481 -9.6481 -2.6570 -2.6570 -2.6554 -2.6554 -1.0862 -1.0862 -1.0832 -1.0832 0.1703 0.1703 0.1734 0.1734 1.0287 1.0287 1.0295 1.0295 1.2496 1.2496 1.2502 1.2502 2.4992 2.4992 2.4993 2.4993 3.3591 3.3591 3.3610 3.3610 4.0378 4.0378 4.0381 4.0381 4.9008 4.9008 4.9012 4.9012 12.4935 12.4935 12.4959 12.4959 12.7071 12.7071 12.7083 12.7083 13.1270 13.1270 k = 0.0164 0.5592 0.5382 ( 4316 PWs) bands (ev): -13.1040 -13.1040 -13.1038 -13.1038 -9.9609 -9.9609 -9.9603 -9.9603 -9.6472 -9.6472 -9.6461 -9.6461 -2.6552 -2.6552 -2.6537 -2.6537 -1.0895 -1.0895 -1.0864 -1.0864 0.1721 0.1721 0.1752 0.1752 1.0255 1.0255 1.0277 1.0277 1.2515 1.2515 1.2541 1.2541 2.4982 2.4982 2.4986 2.4986 3.3603 3.3603 3.3622 3.3622 4.0382 4.0382 4.0386 4.0386 4.8988 4.8988 4.8993 4.8993 12.4928 12.4928 12.4954 12.4954 12.7072 12.7072 12.7087 12.7087 13.1262 13.1262 k = 0.0329 0.5592 0.5382 ( 4312 PWs) bands (ev): -13.1035 -13.1035 -13.1033 -13.1033 -9.9678 -9.9678 -9.9670 -9.9670 -9.6413 -9.6413 -9.6401 -9.6401 -2.6501 -2.6501 -2.6485 -2.6485 -1.0991 -1.0991 -1.0960 -1.0960 0.1774 0.1774 0.1805 0.1805 1.0175 1.0175 1.0215 1.0215 1.2588 1.2588 1.2636 1.2636 2.4955 2.4955 2.4964 2.4964 3.3640 3.3640 3.3660 3.3660 4.0396 4.0396 4.0402 4.0402 4.8930 4.8930 4.8937 4.8937 12.4908 12.4908 12.4937 12.4937 12.7078 12.7078 12.7099 12.7099 13.1240 13.1240 k = 0.0493 0.5592 0.5382 ( 4308 PWs) bands (ev): -13.1026 -13.1026 -13.1025 -13.1025 -9.9785 -9.9785 -9.9776 -9.9776 -9.6320 -9.6320 -9.6307 -9.6307 -2.6416 -2.6416 -2.6400 -2.6400 -1.1149 -1.1149 -1.1119 -1.1119 0.1861 0.1861 0.1892 0.1892 1.0060 1.0060 1.0114 1.0114 1.2708 1.2708 1.2774 1.2774 2.4913 2.4913 2.4926 2.4926 3.3701 3.3701 3.3721 3.3721 4.0420 4.0420 4.0428 4.0428 4.8834 4.8834 4.8844 4.8844 12.4875 12.4875 12.4908 12.4908 12.7087 12.7087 12.7116 12.7116 13.1203 13.1203 k = 0.0658 0.5592 0.5382 ( 4300 PWs) bands (ev): -13.1015 -13.1015 -13.1013 -13.1013 -9.9926 -9.9926 -9.9915 -9.9915 -9.6199 -9.6199 -9.6185 -9.6185 -2.6296 -2.6296 -2.6280 -2.6280 -1.1366 -1.1366 -1.1337 -1.1337 0.1977 0.1977 0.2010 0.2010 0.9921 0.9921 0.9985 0.9985 1.2865 1.2865 1.2944 1.2944 2.4858 2.4858 2.4873 2.4873 3.3782 3.3782 3.3804 3.3804 4.0455 4.0455 4.0465 4.0465 4.8702 4.8702 4.8714 4.8714 12.4831 12.4831 12.4869 12.4869 12.7101 12.7101 12.7138 12.7138 13.1155 13.1155 k = 0.0822 0.5592 0.5382 ( 4300 PWs) bands (ev): -13.1000 -13.1000 -13.0998 -13.0998 -10.0092 -10.0092 -10.0079 -10.0079 -9.6057 -9.6057 -9.6042 -9.6042 -2.6144 -2.6144 -2.6127 -2.6127 -1.1638 -1.1638 -1.1609 -1.1609 0.2121 0.2121 0.2154 0.2154 0.9768 0.9768 0.9837 0.9837 1.3048 1.3048 1.3136 1.3136 2.4790 2.4790 2.4809 2.4809 3.3882 3.3882 3.3904 3.3904 4.0501 4.0501 4.0514 4.0514 4.8534 4.8534 4.8549 4.8549 12.4777 12.4777 12.4818 12.4818 12.7119 12.7119 12.7162 12.7162 13.1096 13.1096 k = 0.0987 0.5592 0.5382 ( 4298 PWs) bands (ev): -13.0982 -13.0982 -13.0980 -13.0980 -10.0278 -10.0278 -10.0264 -10.0264 -9.5899 -9.5899 -9.5883 -9.5883 -2.5960 -2.5960 -2.5942 -2.5942 -1.1960 -1.1960 -1.1932 -1.1932 0.2287 0.2287 0.2321 0.2321 0.9605 0.9605 0.9679 0.9679 1.3249 1.3249 1.3345 1.3345 2.4714 2.4714 2.4735 2.4735 3.3997 3.3997 3.4019 3.4019 4.0559 4.0559 4.0574 4.0574 4.8334 4.8334 4.8351 4.8351 12.4714 12.4714 12.4758 12.4758 12.7138 12.7138 12.7188 12.7188 13.1029 13.1029 k = 0.1151 0.5592 0.5382 ( 4292 PWs) bands (ev): -13.0961 -13.0961 -13.0960 -13.0960 -10.0478 -10.0478 -10.0464 -10.0464 -9.5730 -9.5730 -9.5714 -9.5714 -2.5744 -2.5744 -2.5726 -2.5726 -1.2329 -1.2329 -1.2301 -1.2301 0.2472 0.2472 0.2507 0.2507 0.9439 0.9439 0.9514 0.9514 1.3463 1.3463 1.3564 1.3564 2.4630 2.4630 2.4654 2.4654 3.4122 3.4122 3.4144 3.4144 4.0631 4.0631 4.0648 4.0648 4.8103 4.8103 4.8123 4.8123 12.4642 12.4642 12.4688 12.4688 12.7158 12.7158 12.7215 12.7215 13.0957 13.0957 k = 0.1316 0.5592 0.5382 ( 4292 PWs) bands (ev): -13.0938 -13.0938 -13.0937 -13.0937 -10.0689 -10.0689 -10.0674 -10.0674 -9.5553 -9.5553 -9.5536 -9.5536 -2.5497 -2.5497 -2.5478 -2.5478 -1.2738 -1.2738 -1.2712 -1.2712 0.2671 0.2671 0.2707 0.2707 0.9273 0.9273 0.9349 0.9349 1.3685 1.3685 1.3789 1.3789 2.4541 2.4541 2.4567 2.4567 3.4254 3.4254 3.4276 3.4276 4.0718 4.0718 4.0737 4.0737 4.7843 4.7843 4.7866 4.7866 12.4562 12.4562 12.4608 12.4608 12.7179 12.7179 12.7241 12.7241 13.0884 13.0884 k = 0.1480 0.5592 0.5382 ( 4290 PWs) bands (ev): -13.0913 -13.0913 -13.0911 -13.0911 -10.0907 -10.0907 -10.0892 -10.0892 -9.5371 -9.5371 -9.5354 -9.5354 -2.5221 -2.5221 -2.5201 -2.5201 -1.3186 -1.3186 -1.3159 -1.3159 0.2881 0.2881 0.2917 0.2917 0.9109 0.9109 0.9184 0.9184 1.3911 1.3911 1.4018 1.4018 2.4450 2.4450 2.4478 2.4478 3.4389 3.4389 3.4410 3.4410 4.0821 4.0821 4.0841 4.0841 4.7558 4.7558 4.7583 4.7583 12.4473 12.4473 12.4519 12.4519 12.7198 12.7198 12.7266 12.7266 13.0811 13.0811 k = 0.1644 0.5592 0.5382 ( 4290 PWs) bands (ev): -13.0886 -13.0886 -13.0884 -13.0884 -10.1129 -10.1129 -10.1114 -10.1114 -9.5186 -9.5186 -9.5169 -9.5169 -2.4917 -2.4917 -2.4896 -2.4896 -1.3666 -1.3666 -1.3640 -1.3640 0.3097 0.3097 0.3134 0.3134 0.8949 0.8949 0.9023 0.9023 1.4138 1.4138 1.4247 1.4247 2.4360 2.4360 2.4389 2.4389 3.4522 3.4522 3.4541 3.4541 4.0941 4.0941 4.0963 4.0963 4.7250 4.7250 4.7278 4.7278 12.4374 12.4374 12.4420 12.4420 12.7214 12.7214 12.7289 12.7289 13.0745 13.0745 k = 0.1809 0.5592 0.5382 ( 4288 PWs) bands (ev): -13.0857 -13.0857 -13.0856 -13.0856 -10.1354 -10.1354 -10.1339 -10.1339 -9.4999 -9.4999 -9.4982 -9.4982 -2.4586 -2.4586 -2.4564 -2.4564 -1.4175 -1.4175 -1.4150 -1.4150 0.3317 0.3317 0.3355 0.3355 0.8795 0.8795 0.8868 0.8868 1.4363 1.4363 1.4475 1.4475 2.4272 2.4272 2.4302 2.4302 3.4648 3.4648 3.4665 3.4665 4.1080 4.1080 4.1103 4.1103 4.6924 4.6924 4.6954 4.6954 12.4265 12.4265 12.4309 12.4309 12.7228 12.7228 12.7309 12.7309 13.0687 13.0687 k = 0.1973 0.5592 0.5382 ( 4292 PWs) bands (ev): -13.0828 -13.0828 -13.0826 -13.0826 -10.1578 -10.1578 -10.1563 -10.1563 -9.4812 -9.4812 -9.4795 -9.4795 -2.4229 -2.4229 -2.4207 -2.4207 -1.4711 -1.4711 -1.4686 -1.4686 0.3538 0.3538 0.3577 0.3577 0.8648 0.8648 0.8719 0.8719 1.4585 1.4585 1.4698 1.4698 2.4189 2.4189 2.4219 2.4219 3.4764 3.4764 3.4780 3.4780 4.1239 4.1239 4.1263 4.1263 4.6582 4.6582 4.6615 4.6615 12.4145 12.4145 12.4187 12.4187 12.7237 12.7237 12.7324 12.7324 13.0642 13.0642 k = 0.2138 0.5592 0.5382 ( 4294 PWs) bands (ev): -13.0797 -13.0797 -13.0796 -13.0796 -10.1801 -10.1801 -10.1785 -10.1785 -9.4626 -9.4626 -9.4609 -9.4609 -2.3849 -2.3849 -2.3826 -2.3826 -1.5270 -1.5270 -1.5245 -1.5245 0.3756 0.3756 0.3796 0.3796 0.8510 0.8510 0.8579 0.8579 1.4800 1.4800 1.4914 1.4914 2.4112 2.4112 2.4143 2.4143 3.4867 3.4867 3.4880 3.4880 4.1418 4.1418 4.1443 4.1443 4.6229 4.6229 4.6263 4.6263 12.4011 12.4011 12.4051 12.4051 12.7241 12.7241 12.7333 12.7333 13.0613 13.0613 k = 0.2302 0.5592 0.5382 ( 4292 PWs) bands (ev): -13.0767 -13.0767 -13.0765 -13.0765 -10.2020 -10.2020 -10.2005 -10.2005 -9.4441 -9.4441 -9.4424 -9.4424 -2.3447 -2.3447 -2.3423 -2.3423 -1.5850 -1.5850 -1.5824 -1.5824 0.3970 0.3970 0.4010 0.4010 0.8382 0.8382 0.8449 0.8449 1.5007 1.5007 1.5121 1.5121 2.4045 2.4045 2.4076 2.4076 3.4953 3.4953 3.4964 3.4964 4.1619 4.1619 4.1644 4.1644 4.5868 4.5868 4.5903 4.5903 12.3863 12.3863 12.3901 12.3901 12.7240 12.7240 12.7336 12.7336 13.0604 13.0604 k = 0.2467 0.5592 0.5382 ( 4296 PWs) bands (ev): -13.0736 -13.0736 -13.0735 -13.0735 -10.2234 -10.2234 -10.2219 -10.2219 -9.4258 -9.4258 -9.4241 -9.4241 -2.3024 -2.3024 -2.2999 -2.2999 -1.6447 -1.6447 -1.6422 -1.6422 0.4176 0.4176 0.4217 0.4217 0.8266 0.8266 0.8331 0.8331 1.5202 1.5202 1.5317 1.5317 2.3989 2.3989 2.4020 2.4020 3.5020 3.5020 3.5030 3.5030 4.1840 4.1840 4.1866 4.1866 4.5502 4.5502 4.5539 4.5539 12.3699 12.3699 12.3736 12.3736 12.7233 12.7233 12.7331 12.7331 13.0618 13.0618 k = 0.2631 0.5592 0.5382 ( 4294 PWs) bands (ev): -13.0707 -13.0707 -13.0705 -13.0705 -10.2442 -10.2442 -10.2427 -10.2427 -9.4076 -9.4076 -9.4059 -9.4059 -2.2583 -2.2583 -2.2557 -2.2557 -1.7060 -1.7060 -1.7034 -1.7034 0.4371 0.4371 0.4413 0.4413 0.8164 0.8164 0.8227 0.8227 1.5384 1.5384 1.5498 1.5498 2.3946 2.3946 2.3976 2.3976 3.5067 3.5067 3.5076 3.5076 4.2081 4.2081 4.2109 4.2109 4.5137 4.5137 4.5175 4.5175 12.3519 12.3519 12.3554 12.3554 12.7219 12.7219 12.7319 12.7319 13.0655 13.0655 k = 0.2796 0.5592 0.5382 ( 4292 PWs) bands (ev): -13.0678 -13.0678 -13.0677 -13.0677 -10.2643 -10.2643 -10.2628 -10.2628 -9.3897 -9.3897 -9.3880 -9.3880 -2.2125 -2.2125 -2.2099 -2.2099 -1.7687 -1.7687 -1.7660 -1.7660 0.4553 0.4553 0.4595 0.4595 0.8079 0.8079 0.8140 0.8140 1.5549 1.5549 1.5663 1.5663 2.3917 2.3917 2.3947 2.3947 3.5093 3.5093 3.5103 3.5103 4.2341 4.2341 4.2370 4.2370 4.4775 4.4775 4.4814 4.4814 12.3321 12.3321 12.3355 12.3355 12.7198 12.7198 12.7299 12.7299 13.0718 13.0718 k = 0.2960 0.5592 0.5382 ( 4294 PWs) bands (ev): -13.0651 -13.0651 -13.0650 -13.0650 -10.2835 -10.2835 -10.2821 -10.2821 -9.3720 -9.3720 -9.3704 -9.3704 -2.1653 -2.1653 -2.1626 -2.1626 -1.8325 -1.8325 -1.8298 -1.8298 0.4718 0.4718 0.4760 0.4760 0.8015 0.8015 0.8073 0.8073 1.5694 1.5694 1.5808 1.5808 2.3906 2.3906 2.3935 2.3935 3.5099 3.5099 3.5110 3.5110 4.2616 4.2616 4.2647 4.2647 4.4422 4.4422 4.4461 4.4461 12.3107 12.3107 12.3140 12.3140 12.7171 12.7171 12.7272 12.7272 13.0806 13.0806 k = 0.3124 0.5592 0.5382 ( 4304 PWs) bands (ev): -13.0626 -13.0626 -13.0625 -13.0625 -10.3017 -10.3017 -10.3004 -10.3004 -9.3546 -9.3546 -9.3530 -9.3530 -2.1169 -2.1169 -2.1141 -2.1141 -1.8973 -1.8973 -1.8945 -1.8945 0.4862 0.4862 0.4904 0.4904 0.7974 0.7974 0.8030 0.8030 1.5817 1.5817 1.5930 1.5930 2.3914 2.3914 2.3942 2.3942 3.5085 3.5085 3.5097 3.5097 4.2898 4.2898 4.2932 4.2932 4.4087 4.4087 4.4125 4.4125 12.2876 12.2876 12.2909 12.2909 12.7138 12.7138 12.7237 12.7237 13.0918 13.0918 k = 0.3289 0.5592 0.5382 ( 4306 PWs) bands (ev): -13.0603 -13.0603 -13.0602 -13.0602 -10.3189 -10.3189 -10.3176 -10.3176 -9.3374 -9.3374 -9.3358 -9.3358 -2.0681 -2.0681 -2.0650 -2.0650 -1.9625 -1.9625 -1.9594 -1.9594 0.4981 0.4981 0.5023 0.5023 0.7961 0.7961 0.8015 0.8015 1.5914 1.5914 1.6027 1.6027 2.3942 2.3942 2.3969 2.3969 3.5053 3.5053 3.5067 3.5067 4.3156 4.3156 4.3192 4.3192 4.3805 4.3805 4.3837 4.3837 12.2628 12.2628 12.2661 12.2661 12.7100 12.7100 12.7197 12.7197 13.1051 13.1051 k = 0.3453 0.5592 0.5382 ( 4302 PWs) bands (ev): -13.0584 -13.0584 -13.0583 -13.0583 -10.3350 -10.3350 -10.3336 -10.3336 -9.3206 -9.3206 -9.3190 -9.3190 -2.0364 -2.0364 -2.0364 -2.0364 -2.0074 -2.0074 -2.0067 -2.0067 0.5072 0.5072 0.5114 0.5114 0.7979 0.7979 0.8031 0.8031 1.5984 1.5984 1.6096 1.6096 2.3993 2.3993 2.4019 2.4019 3.5006 3.5006 3.5021 3.5021 4.3206 4.3206 4.3243 4.3243 4.3766 4.3766 4.3775 4.3775 12.2366 12.2366 12.2399 12.2399 12.7056 12.7056 12.7151 12.7151 13.1202 13.1202 k = 0.3453 0.5592 0.5382 ( 4302 PWs) bands (ev): -13.0584 -13.0584 -13.0583 -13.0583 -10.3350 -10.3350 -10.3336 -10.3336 -9.3206 -9.3206 -9.3190 -9.3190 -2.0364 -2.0364 -2.0364 -2.0364 -2.0074 -2.0074 -2.0067 -2.0067 0.5072 0.5072 0.5114 0.5114 0.7979 0.7979 0.8031 0.8031 1.5984 1.5984 1.6096 1.6096 2.3993 2.3993 2.4019 2.4019 3.5006 3.5006 3.5021 3.5021 4.3206 4.3206 4.3243 4.3243 4.3766 4.3766 4.3775 4.3775 12.2366 12.2366 12.2399 12.2399 12.7056 12.7056 12.7151 12.7151 13.1202 13.1202 k = 0.3367 0.5452 0.5382 ( 4298 PWs) bands (ev): -13.0619 -13.0619 -13.0618 -13.0618 -10.3049 -10.3049 -10.3035 -10.3035 -9.3526 -9.3526 -9.3510 -9.3510 -2.0509 -2.0509 -2.0501 -2.0501 -1.9629 -1.9629 -1.9629 -1.9629 0.4920 0.4920 0.4962 0.4962 0.7912 0.7912 0.7967 0.7967 1.5884 1.5884 1.5997 1.5997 2.3880 2.3880 2.3908 2.3908 3.5104 3.5104 3.5117 3.5117 4.3463 4.3463 4.3466 4.3466 4.3503 4.3503 4.3533 4.3533 12.2871 12.2871 12.2903 12.2903 12.7135 12.7135 12.7234 12.7234 13.0912 13.0912 k = 0.3281 0.5313 0.5382 ( 4298 PWs) bands (ev): -13.0655 -13.0655 -13.0654 -13.0654 -10.2735 -10.2735 -10.2720 -10.2720 -9.3851 -9.3851 -9.3834 -9.3834 -2.0961 -2.0961 -2.0954 -2.0954 -1.8882 -1.8882 -1.8880 -1.8880 0.4750 0.4750 0.4792 0.4792 0.7845 0.7845 0.7903 0.7903 1.5793 1.5793 1.5907 1.5907 2.3781 2.3781 2.3811 2.3811 3.5192 3.5192 3.5203 3.5203 4.3195 4.3195 4.3206 4.3206 4.3774 4.3774 4.3812 4.3812 12.3352 12.3352 12.3382 12.3382 12.7193 12.7193 12.7297 12.7297 13.0660 13.0660 k = 0.3194 0.5173 0.5382 ( 4294 PWs) bands (ev): -13.0693 -13.0693 -13.0692 -13.0692 -10.2407 -10.2407 -10.2392 -10.2392 -9.4178 -9.4178 -9.4161 -9.4161 -2.1435 -2.1435 -2.1428 -2.1428 -1.8121 -1.8121 -1.8117 -1.8117 0.4561 0.4561 0.4602 0.4602 0.7777 0.7777 0.7839 0.7839 1.5713 1.5713 1.5827 1.5827 2.3697 2.3697 2.3728 2.3728 3.5270 3.5270 3.5279 3.5279 4.2928 4.2928 4.2938 4.2938 4.4076 4.4076 4.4113 4.4113 12.3789 12.3789 12.3817 12.3817 12.7223 12.7223 12.7330 12.7330 13.0465 13.0465 k = 0.3108 0.5033 0.5382 ( 4306 PWs) bands (ev): -13.0733 -13.0733 -13.0731 -13.0731 -10.2066 -10.2066 -10.2050 -10.2050 -9.4507 -9.4507 -9.4490 -9.4490 -2.1929 -2.1929 -2.1923 -2.1923 -1.7349 -1.7349 -1.7344 -1.7344 0.4353 0.4353 0.4392 0.4392 0.7709 0.7709 0.7774 0.7774 1.5646 1.5646 1.5760 1.5760 2.3629 2.3629 2.3662 2.3662 3.5338 3.5338 3.5344 3.5344 4.2674 4.2674 4.2683 4.2683 4.4390 4.4390 4.4425 4.4425 12.4160 12.4160 12.4184 12.4184 12.7217 12.7217 12.7326 12.7326 13.0348 13.0348 k = 0.3022 0.4893 0.5382 ( 4302 PWs) bands (ev): -13.0774 -13.0774 -13.0772 -13.0772 -10.1712 -10.1712 -10.1696 -10.1696 -9.4836 -9.4836 -9.4819 -9.4819 -2.2443 -2.2443 -2.2436 -2.2436 -1.6571 -1.6571 -1.6564 -1.6564 0.4125 0.4125 0.4163 0.4163 0.7641 0.7641 0.7710 0.7710 1.5594 1.5594 1.5707 1.5707 2.3579 2.3579 2.3614 2.3614 3.5398 3.5398 3.5401 3.5401 4.2433 4.2433 4.2441 4.2441 4.4713 4.4713 4.4747 4.4747 12.4441 12.4441 12.4460 12.4460 12.7167 12.7167 12.7279 12.7279 13.0333 13.0333 k = 0.2935 0.4753 0.5382 ( 4296 PWs) bands (ev): -13.0816 -13.0816 -13.0814 -13.0814 -10.1347 -10.1347 -10.1331 -10.1331 -9.5163 -9.5163 -9.5146 -9.5146 -2.2974 -2.2974 -2.2969 -2.2969 -1.5789 -1.5789 -1.5780 -1.5780 0.3878 0.3878 0.3914 0.3914 0.7574 0.7574 0.7647 0.7647 1.5558 1.5558 1.5669 1.5669 2.3547 2.3547 2.3584 2.3584 3.5448 3.5448 3.5448 3.5448 4.2206 4.2206 4.2214 4.2214 4.5045 4.5045 4.5077 4.5077 12.4614 12.4614 12.4627 12.4627 12.7069 12.7069 12.7182 12.7182 13.0438 13.0438 k = 0.2849 0.4614 0.5382 ( 4298 PWs) bands (ev): -13.0859 -13.0859 -13.0858 -13.0858 -10.0970 -10.0970 -10.0953 -10.0953 -9.5489 -9.5489 -9.5472 -9.5472 -2.3524 -2.3524 -2.3519 -2.3519 -1.5006 -1.5006 -1.4994 -1.4994 0.3613 0.3613 0.3647 0.3647 0.7508 0.7508 0.7585 0.7585 1.5538 1.5538 1.5646 1.5646 2.3535 2.3535 2.3574 2.3574 3.5487 3.5487 3.5489 3.5489 4.1994 4.1994 4.2002 4.2002 4.5384 4.5384 4.5414 4.5414 12.4674 12.4674 12.4682 12.4682 12.6918 12.6918 12.7031 12.7031 13.0666 13.0666 k = 0.2763 0.4474 0.5382 ( 4304 PWs) bands (ev): -13.0904 -13.0904 -13.0902 -13.0902 -10.0583 -10.0583 -10.0566 -10.0566 -9.5812 -9.5812 -9.5795 -9.5795 -2.4090 -2.4090 -2.4086 -2.4086 -1.4225 -1.4225 -1.4211 -1.4211 0.3330 0.3330 0.3361 0.3361 0.7444 0.7444 0.7524 0.7524 1.5535 1.5535 1.5640 1.5640 2.3543 2.3543 2.3585 2.3585 3.5518 3.5518 3.5523 3.5523 4.1798 4.1798 4.1805 4.1805 4.5728 4.5728 4.5757 4.5757 12.4631 12.4631 12.4634 12.4634 12.6710 12.6710 12.6824 12.6824 13.1005 13.1005 k = 0.2676 0.4334 0.5382 ( 4304 PWs) bands (ev): -13.0949 -13.0949 -13.0948 -13.0948 -10.0186 -10.0186 -10.0168 -10.0168 -9.6131 -9.6131 -9.6115 -9.6115 -2.4672 -2.4672 -2.4668 -2.4668 -1.3449 -1.3449 -1.3433 -1.3433 0.3031 0.3031 0.3060 0.3060 0.7382 0.7382 0.7466 0.7466 1.5548 1.5548 1.5651 1.5651 2.3573 2.3573 2.3616 2.3616 3.5541 3.5541 3.5550 3.5550 4.1616 4.1616 4.1623 4.1623 4.6077 4.6077 4.6104 4.6104 12.4506 12.4506 12.4506 12.4506 12.6448 12.6448 12.6560 12.6560 13.1430 13.1430 k = 0.2590 0.4194 0.5382 ( 4300 PWs) bands (ev): -13.0995 -13.0995 -13.0994 -13.0994 -9.9779 -9.9779 -9.9761 -9.9761 -9.6446 -9.6446 -9.6429 -9.6429 -2.5269 -2.5269 -2.5266 -2.5266 -1.2682 -1.2682 -1.2663 -1.2663 0.2718 0.2718 0.2745 0.2745 0.7323 0.7323 0.7410 0.7410 1.5578 1.5578 1.5677 1.5677 2.3624 2.3624 2.3669 2.3669 3.5559 3.5559 3.5572 3.5572 4.1450 4.1450 4.1456 4.1456 4.6428 4.6428 4.6453 4.6453 12.4321 12.4321 12.4323 12.4323 12.6130 12.6130 12.6242 12.6242 13.1914 13.1914 k = 0.2504 0.4054 0.5382 ( 4304 PWs) bands (ev): -13.1043 -13.1043 -13.1041 -13.1041 -9.9365 -9.9365 -9.9346 -9.9346 -9.6754 -9.6754 -9.6738 -9.6738 -2.5878 -2.5878 -2.5876 -2.5876 -1.1927 -1.1927 -1.1905 -1.1905 0.2393 0.2393 0.2417 0.2417 0.7268 0.7268 0.7358 0.7358 1.5625 1.5625 1.5720 1.5720 2.3696 2.3696 2.3744 2.3744 3.5571 3.5571 3.5587 3.5587 4.1299 4.1299 4.1305 4.1305 4.6781 4.6781 4.6804 4.6804 12.4098 12.4098 12.4101 12.4101 12.5763 12.5763 12.5872 12.5872 13.2430 13.2430 k = 0.2417 0.3915 0.5382 ( 4308 PWs) bands (ev): -13.1090 -13.1090 -13.1089 -13.1089 -9.8942 -9.8942 -9.8924 -9.8924 -9.7057 -9.7057 -9.7041 -9.7041 -2.6500 -2.6500 -2.6498 -2.6498 -1.1186 -1.1186 -1.1161 -1.1161 0.2058 0.2058 0.2079 0.2079 0.7216 0.7216 0.7310 0.7310 1.5686 1.5686 1.5777 1.5777 2.3789 2.3789 2.3839 2.3839 3.5580 3.5580 3.5599 3.5599 4.1163 4.1163 4.1167 4.1167 4.7134 4.7134 4.7155 4.7155 12.3854 12.3854 12.3859 12.3859 12.5349 12.5349 12.5455 12.5455 13.2955 13.2955 k = 0.2331 0.3775 0.5382 ( 4300 PWs) bands (ev): -13.1139 -13.1139 -13.1137 -13.1137 -9.8513 -9.8513 -9.8494 -9.8494 -9.7353 -9.7353 -9.7337 -9.7337 -2.7131 -2.7131 -2.7130 -2.7130 -1.0463 -1.0463 -1.0435 -1.0435 0.1715 0.1715 0.1734 0.1734 0.7170 0.7170 0.7266 0.7266 1.5761 1.5761 1.5848 1.5848 2.3904 2.3904 2.3955 2.3955 3.5585 3.5585 3.5608 3.5608 4.1040 4.1040 4.1044 4.1044 4.7486 4.7486 4.7505 4.7505 12.3602 12.3602 12.3607 12.3607 12.4895 12.4895 12.4998 12.4998 13.3465 13.3465 k = 0.2245 0.3635 0.5382 ( 4296 PWs) bands (ev): -13.1187 -13.1187 -13.1186 -13.1186 -9.8079 -9.8079 -9.8059 -9.8059 -9.7641 -9.7641 -9.7626 -9.7626 -2.7771 -2.7771 -2.7771 -2.7771 -0.9760 -0.9760 -0.9729 -0.9729 0.1367 0.1367 0.1383 0.1383 0.7129 0.7129 0.7229 0.7229 1.5849 1.5849 1.5933 1.5933 2.4038 2.4038 2.4091 2.4091 3.5588 3.5588 3.5615 3.5615 4.0931 4.0931 4.0934 4.0934 4.7835 4.7835 4.7852 4.7852 12.3350 12.3350 12.3356 12.3356 12.4408 12.4408 12.4506 12.4506 13.3938 13.3938 k = 0.2158 0.3495 0.5382 ( 4296 PWs) bands (ev): -13.1236 -13.1236 -13.1234 -13.1234 -9.7923 -9.7923 -9.7907 -9.7907 -9.7638 -9.7638 -9.7619 -9.7619 -2.8419 -2.8419 -2.8418 -2.8418 -0.9080 -0.9080 -0.9046 -0.9046 0.1016 0.1016 0.1030 0.1030 0.7095 0.7095 0.7197 0.7197 1.5948 1.5948 1.6028 1.6028 2.4191 2.4191 2.4246 2.4246 3.5591 3.5591 3.5621 3.5621 4.0834 4.0834 4.0837 4.0837 4.8180 4.8180 4.8195 4.8195 12.3106 12.3106 12.3112 12.3112 12.3892 12.3892 12.3987 12.3987 13.4350 13.4350 k = 0.2072 0.3355 0.5382 ( 4300 PWs) bands (ev): -13.1285 -13.1285 -13.1283 -13.1283 -9.8194 -9.8194 -9.8179 -9.8179 -9.7195 -9.7195 -9.7177 -9.7177 -2.9071 -2.9071 -2.9070 -2.9070 -0.8427 -0.8427 -0.8389 -0.8389 0.0663 0.0663 0.0676 0.0676 0.7068 0.7068 0.7173 0.7173 1.6058 1.6058 1.6134 1.6134 2.4361 2.4361 2.4418 2.4418 3.5596 3.5596 3.5629 3.5629 4.0750 4.0750 4.0752 4.0752 4.8519 4.8519 4.8532 4.8532 12.2876 12.2876 12.2880 12.2880 12.3357 12.3357 12.3445 12.3445 13.4678 13.4678 k = 0.1986 0.3216 0.5382 ( 4312 PWs) bands (ev): -13.1333 -13.1333 -13.1332 -13.1332 -9.8457 -9.8457 -9.8442 -9.8442 -9.6750 -9.6750 -9.6731 -9.6731 -2.9727 -2.9727 -2.9725 -2.9725 -0.7801 -0.7801 -0.7760 -0.7760 0.0312 0.0312 0.0323 0.0323 0.7049 0.7049 0.7156 0.7156 1.6177 1.6177 1.6248 1.6248 2.4546 2.4546 2.4605 2.4605 3.5602 3.5602 3.5639 3.5639 4.0677 4.0677 4.0678 4.0678 4.8852 4.8852 4.8863 4.8863 12.2655 12.2655 12.2662 12.2662 12.2816 12.2816 12.2888 12.2888 13.4900 13.4900 k = 0.1899 0.3076 0.5382 ( 4320 PWs) bands (ev): -13.1382 -13.1382 -13.1380 -13.1380 -9.8710 -9.8710 -9.8696 -9.8696 -9.6304 -9.6304 -9.6285 -9.6285 -3.0383 -3.0383 -3.0380 -3.0380 -0.7205 -0.7205 -0.7162 -0.7162 -0.0035 -0.0035 -0.0026 -0.0026 0.7039 0.7039 0.7148 0.7148 1.6302 1.6302 1.6370 1.6370 2.4745 2.4745 2.4805 2.4805 3.5613 3.5613 3.5653 3.5653 4.0614 4.0614 4.0615 4.0615 4.9178 4.9178 4.9187 4.9187 12.2223 12.2223 12.2317 12.2317 12.2472 12.2472 12.2492 12.2492 13.4997 13.4997 k = 0.1813 0.2936 0.5382 ( 4328 PWs) bands (ev): -13.1429 -13.1429 -13.1428 -13.1428 -9.8954 -9.8954 -9.8940 -9.8940 -9.5858 -9.5858 -9.5840 -9.5840 -3.1038 -3.1038 -3.1035 -3.1035 -0.6641 -0.6641 -0.6595 -0.6595 -0.0377 -0.0377 -0.0370 -0.0370 0.7038 0.7038 0.7148 0.7148 1.6434 1.6434 1.6498 1.6498 2.4953 2.4953 2.5015 2.5015 3.5630 3.5630 3.5673 3.5673 4.0561 4.0561 4.0561 4.0561 4.9494 4.9494 4.9501 4.9501 12.1660 12.1660 12.1745 12.1745 12.2301 12.2301 12.2316 12.2316 13.4960 13.4960 k = 0.1727 0.2796 0.5382 ( 4328 PWs) bands (ev): -13.1477 -13.1477 -13.1475 -13.1475 -9.9188 -9.9188 -9.9175 -9.9175 -9.5415 -9.5415 -9.5396 -9.5396 -3.1689 -3.1689 -3.1685 -3.1685 -0.6111 -0.6111 -0.6063 -0.6063 -0.0712 -0.0712 -0.0706 -0.0706 0.7047 0.7047 0.7158 0.7158 1.6570 1.6570 1.6631 1.6631 2.5169 2.5169 2.5232 2.5232 3.5654 3.5654 3.5701 3.5701 4.0516 4.0516 4.0516 4.0516 4.9801 4.9801 4.9806 4.9806 12.1092 12.1092 12.1172 12.1172 12.2156 12.2156 12.2170 12.2170 13.4794 13.4794 k = 0.1640 0.2656 0.5382 ( 4332 PWs) bands (ev): -13.1523 -13.1523 -13.1521 -13.1521 -9.9411 -9.9411 -9.9399 -9.9399 -9.4974 -9.4974 -9.4956 -9.4956 -3.2333 -3.2333 -3.2329 -3.2329 -0.5616 -0.5616 -0.5565 -0.5565 -0.1039 -0.1039 -0.1034 -0.1034 0.7067 0.7067 0.7178 0.7178 1.6710 1.6710 1.6767 1.6767 2.5389 2.5389 2.5453 2.5453 3.5688 3.5688 3.5737 3.5737 4.0479 4.0479 4.0480 4.0480 5.0097 5.0097 5.0100 5.0100 12.0527 12.0527 12.0602 12.0602 12.2037 12.2037 12.2051 12.2051 13.4514 13.4514 k = 0.1554 0.2517 0.5382 ( 4332 PWs) bands (ev): -13.1568 -13.1568 -13.1567 -13.1567 -9.9624 -9.9624 -9.9612 -9.9612 -9.4539 -9.4539 -9.4521 -9.4521 -3.2969 -3.2969 -3.2964 -3.2964 -0.5156 -0.5156 -0.5103 -0.5103 -0.1355 -0.1355 -0.1351 -0.1351 0.7097 0.7097 0.7208 0.7208 1.6851 1.6851 1.6904 1.6904 2.5610 2.5610 2.5675 2.5675 3.5732 3.5732 3.5784 3.5784 4.0450 4.0450 4.0451 4.0451 5.0381 5.0381 5.0383 5.0383 11.9969 11.9969 12.0040 12.0040 12.1944 12.1944 12.1959 12.1959 13.4142 13.4142 k = 0.1468 0.2377 0.5382 ( 4332 PWs) bands (ev): -13.1612 -13.1612 -13.1611 -13.1611 -9.9826 -9.9826 -9.9815 -9.9815 -9.4110 -9.4110 -9.4093 -9.4093 -3.3593 -3.3593 -3.3588 -3.3588 -0.4731 -0.4731 -0.4678 -0.4678 -0.1660 -0.1660 -0.1657 -0.1657 0.7137 0.7137 0.7248 0.7248 1.6993 1.6993 1.7043 1.7043 2.5828 2.5828 2.5894 2.5894 3.5789 3.5789 3.5842 3.5842 4.0427 4.0427 4.0429 4.0429 5.0652 5.0652 5.0653 5.0653 11.9423 11.9423 11.9490 11.9490 12.1878 12.1878 12.1893 12.1893 13.3704 13.3704 k = 0.1381 0.2237 0.5382 ( 4320 PWs) bands (ev): -13.1655 -13.1655 -13.1653 -13.1653 -10.0018 -10.0018 -10.0007 -10.0007 -9.3690 -9.3690 -9.3673 -9.3673 -3.4203 -3.4203 -3.4197 -3.4197 -0.4342 -0.4342 -0.4288 -0.4288 -0.1952 -0.1952 -0.1950 -0.1950 0.7188 0.7188 0.7296 0.7296 1.7134 1.7134 1.7180 1.7180 2.6041 2.6041 2.6106 2.6106 3.5858 3.5858 3.5913 3.5913 4.0410 4.0410 4.0412 4.0412 5.0909 5.0909 5.0910 5.0910 11.8892 11.8892 11.8955 11.8955 12.1838 12.1838 12.1854 12.1854 13.3223 13.3223 k = 0.1295 0.2097 0.5382 ( 4324 PWs) bands (ev): -13.1696 -13.1696 -13.1694 -13.1694 -10.0198 -10.0198 -10.0188 -10.0188 -9.3281 -9.3281 -9.3264 -9.3264 -3.4796 -3.4796 -3.4790 -3.4790 -0.3989 -0.3989 -0.3935 -0.3935 -0.2231 -0.2231 -0.2230 -0.2230 0.7248 0.7248 0.7353 0.7353 1.7273 1.7273 1.7316 1.7316 2.6244 2.6244 2.6308 2.6308 3.5941 3.5941 3.5997 3.5997 4.0398 4.0398 4.0400 4.0400 5.1152 5.1152 5.1153 5.1153 11.8378 11.8378 11.8437 11.8437 12.1823 12.1823 12.1839 12.1839 13.2719 13.2719 k = 0.1209 0.1957 0.5382 ( 4324 PWs) bands (ev): -13.1735 -13.1735 -13.1734 -13.1734 -10.0367 -10.0367 -10.0357 -10.0357 -9.2884 -9.2884 -9.2868 -9.2868 -3.5369 -3.5369 -3.5363 -3.5363 -0.3670 -0.3670 -0.3616 -0.3616 -0.2495 -0.2495 -0.2494 -0.2494 0.7316 0.7316 0.7418 0.7418 1.7409 1.7409 1.7449 1.7449 2.6435 2.6435 2.6499 2.6499 3.6038 3.6038 3.6094 3.6094 4.0391 4.0391 4.0393 4.0393 5.1380 5.1380 5.1382 5.1382 11.7886 11.7886 11.7940 11.7940 12.1832 12.1832 12.1848 12.1848 13.2209 13.2209 k = 0.1122 0.1817 0.5382 ( 4312 PWs) bands (ev): -13.1772 -13.1772 -13.1771 -13.1771 -10.0524 -10.0524 -10.0516 -10.0516 -9.2502 -9.2502 -9.2486 -9.2486 -3.5919 -3.5919 -3.5913 -3.5913 -0.3384 -0.3384 -0.3331 -0.3331 -0.2743 -0.2743 -0.2742 -0.2742 0.7390 0.7390 0.7489 0.7489 1.7540 1.7540 1.7577 1.7577 2.6613 2.6613 2.6674 2.6674 3.6147 3.6147 3.6203 3.6203 4.0387 4.0387 4.0389 4.0389 5.1592 5.1592 5.1596 5.1596 11.7416 11.7416 11.7467 11.7467 12.1861 12.1861 12.1877 12.1877 13.1707 13.1707 k = 0.1036 0.1678 0.5382 ( 4316 PWs) bands (ev): -13.1808 -13.1808 -13.1807 -13.1807 -10.0671 -10.0671 -10.0662 -10.0662 -9.2136 -9.2136 -9.2121 -9.2121 -3.6443 -3.6443 -3.6437 -3.6437 -0.3136 -0.3136 -0.3081 -0.3081 -0.2973 -0.2973 -0.2968 -0.2968 0.7471 0.7471 0.7564 0.7564 1.7667 1.7667 1.7701 1.7701 2.6774 2.6774 2.6834 2.6834 3.6268 3.6268 3.6323 3.6323 4.0386 4.0386 4.0388 4.0388 5.1790 5.1790 5.1794 5.1794 11.6972 11.6972 11.7019 11.7019 12.1907 12.1907 12.1924 12.1924 13.1224 13.1224 k = 0.0950 0.1538 0.5382 ( 4320 PWs) bands (ev): -13.1841 -13.1841 -13.1840 -13.1840 -10.0805 -10.0805 -10.0798 -10.0798 -9.1789 -9.1789 -9.1775 -9.1775 -3.6939 -3.6939 -3.6933 -3.6933 -0.3198 -0.3198 -0.3194 -0.3194 -0.2897 -0.2897 -0.2853 -0.2853 0.7555 0.7555 0.7643 0.7643 1.7787 1.7787 1.7818 1.7818 2.6919 2.6919 2.6976 2.6976 3.6398 3.6398 3.6452 3.6452 4.0388 4.0388 4.0390 4.0390 5.1971 5.1971 5.1976 5.1976 11.6556 11.6556 11.6599 11.6599 12.1969 12.1969 12.1985 12.1985 13.0770 13.0770 k = 0.0863 0.1398 0.5382 ( 4320 PWs) bands (ev): -13.1872 -13.1872 -13.1871 -13.1871 -10.0928 -10.0928 -10.0921 -10.0921 -9.1463 -9.1463 -9.1450 -9.1450 -3.7404 -3.7404 -3.7398 -3.7398 -0.3394 -0.3394 -0.3393 -0.3393 -0.2702 -0.2702 -0.2659 -0.2659 0.7641 0.7641 0.7723 0.7723 1.7900 1.7900 1.7928 1.7928 2.7047 2.7047 2.7100 2.7100 3.6535 3.6535 3.6586 3.6586 4.0391 4.0391 4.0393 4.0393 5.2137 5.2137 5.2143 5.2143 11.6170 11.6170 11.6209 11.6209 12.2040 12.2040 12.2056 12.2056 13.0350 13.0350 k = 0.0777 0.1258 0.5382 ( 4312 PWs) bands (ev): -13.1900 -13.1900 -13.1899 -13.1899 -10.1040 -10.1040 -10.1034 -10.1034 -9.1160 -9.1160 -9.1148 -9.1148 -3.7834 -3.7834 -3.7828 -3.7828 -0.3575 -0.3575 -0.3574 -0.3574 -0.2531 -0.2531 -0.2491 -0.2491 0.7726 0.7726 0.7802 0.7802 1.8005 1.8005 1.8030 1.8030 2.7158 2.7158 2.7207 2.7207 3.6676 3.6676 3.6724 3.6724 4.0396 4.0396 4.0398 4.0398 5.2287 5.2287 5.2292 5.2292 11.5815 11.5815 11.5851 11.5851 12.2118 12.2118 12.2133 12.2133 12.9972 12.9972 k = 0.0691 0.1118 0.5382 ( 4316 PWs) bands (ev): -13.1926 -13.1926 -13.1925 -13.1925 -10.1140 -10.1140 -10.1134 -10.1134 -9.0882 -9.0882 -9.0871 -9.0871 -3.8227 -3.8227 -3.8222 -3.8222 -0.3737 -0.3737 -0.3737 -0.3737 -0.2384 -0.2384 -0.2348 -0.2348 0.7810 0.7810 0.7878 0.7878 1.8101 1.8101 1.8124 1.8124 2.7252 2.7252 2.7297 2.7297 3.6816 3.6816 3.6861 3.6861 4.0402 4.0402 4.0404 4.0404 5.2420 5.2420 5.2426 5.2426 11.5494 11.5494 11.5525 11.5525 12.2196 12.2196 12.2210 12.2210 12.9640 12.9640 k = 0.0604 0.0979 0.5382 ( 4324 PWs) bands (ev): -13.1949 -13.1949 -13.1948 -13.1948 -10.1228 -10.1228 -10.1223 -10.1223 -9.0631 -9.0631 -9.0622 -9.0622 -3.8581 -3.8581 -3.8576 -3.8576 -0.3881 -0.3881 -0.3881 -0.3881 -0.2259 -0.2259 -0.2226 -0.2226 0.7889 0.7889 0.7949 0.7949 1.8188 1.8188 1.8208 1.8208 2.7331 2.7331 2.7372 2.7372 3.6953 3.6953 3.6993 3.6993 4.0408 4.0408 4.0410 4.0410 5.2538 5.2538 5.2543 5.2543 11.5207 11.5207 11.5235 11.5235 12.2272 12.2272 12.2285 12.2285 12.9356 12.9356 k = 0.0518 0.0839 0.5382 ( 4316 PWs) bands (ev): -13.1969 -13.1969 -13.1968 -13.1968 -10.1304 -10.1304 -10.1300 -10.1300 -9.0409 -9.0409 -9.0401 -9.0401 -3.8893 -3.8893 -3.8888 -3.8888 -0.4007 -0.4007 -0.4007 -0.4007 -0.2154 -0.2154 -0.2125 -0.2125 0.7963 0.7963 0.8015 0.8015 1.8265 1.8265 1.8282 1.8282 2.7397 2.7397 2.7432 2.7432 3.7081 3.7081 3.7117 3.7117 4.0414 4.0414 4.0416 4.0416 5.2639 5.2639 5.2644 5.2644 11.4956 11.4956 11.4980 11.4980 12.2341 12.2341 12.2352 12.2352 12.9120 12.9120 k = 0.0432 0.0699 0.5382 ( 4310 PWs) bands (ev): -13.1986 -13.1986 -13.1985 -13.1985 -10.1368 -10.1368 -10.1365 -10.1365 -9.0218 -9.0218 -9.0211 -9.0211 -3.9160 -3.9160 -3.9157 -3.9157 -0.4114 -0.4114 -0.4113 -0.4113 -0.2068 -0.2068 -0.2043 -0.2043 0.8029 0.8029 0.8073 0.8073 1.8331 1.8331 1.8345 1.8345 2.7450 2.7450 2.7479 2.7479 3.7198 3.7198 3.7228 3.7228 4.0420 4.0420 4.0422 4.0422 5.2725 5.2725 5.2729 5.2729 11.4743 11.4743 11.4762 11.4762 12.2401 12.2401 12.2410 12.2410 12.8932 12.8932 k = 0.0345 0.0559 0.5382 ( 4306 PWs) bands (ev): -13.2000 -13.2000 -13.1999 -13.1999 -10.1421 -10.1421 -10.1418 -10.1418 -9.0060 -9.0060 -9.0054 -9.0054 -3.9382 -3.9382 -3.9379 -3.9379 -0.4201 -0.4201 -0.4201 -0.4201 -0.1998 -0.1998 -0.1979 -0.1979 0.8085 0.8085 0.8121 0.8121 1.8386 1.8386 1.8397 1.8397 2.7491 2.7491 2.7515 2.7515 3.7299 3.7299 3.7324 3.7324 4.0426 4.0426 4.0427 4.0427 5.2795 5.2795 5.2798 5.2798 11.4567 11.4567 11.4582 11.4582 12.2449 12.2449 12.2457 12.2457 12.8788 12.8788 k = 0.0259 0.0419 0.5382 ( 4304 PWs) bands (ev): -13.2011 -13.2011 -13.2011 -13.2011 -10.1462 -10.1462 -10.1460 -10.1460 -8.9935 -8.9935 -8.9930 -8.9930 -3.9556 -3.9556 -3.9554 -3.9554 -0.4269 -0.4269 -0.4269 -0.4269 -0.1945 -0.1945 -0.1931 -0.1931 0.8132 0.8132 0.8159 0.8159 1.8430 1.8430 1.8438 1.8438 2.7523 2.7523 2.7541 2.7541 3.7382 3.7382 3.7401 3.7401 4.0430 4.0430 4.0431 4.0431 5.2849 5.2849 5.2852 5.2852 11.4430 11.4430 11.4441 11.4441 12.2486 12.2486 12.2492 12.2492 12.8684 12.8684 k = 0.0173 0.0280 0.5382 ( 4300 PWs) bands (ev): -13.2019 -13.2019 -13.2019 -13.2019 -10.1491 -10.1491 -10.1490 -10.1490 -8.9844 -8.9844 -8.9841 -8.9841 -3.9682 -3.9682 -3.9680 -3.9680 -0.4318 -0.4318 -0.4318 -0.4318 -0.1907 -0.1907 -0.1897 -0.1897 0.8167 0.8167 0.8185 0.8185 1.8461 1.8461 1.8467 1.8467 2.7545 2.7545 2.7558 2.7558 3.7444 3.7444 3.7457 3.7457 4.0433 4.0433 4.0434 4.0434 5.2888 5.2888 5.2890 5.2890 11.4332 11.4332 11.4340 11.4340 12.2512 12.2512 12.2516 12.2516 12.8615 12.8615 k = 0.0086 0.0140 0.5382 ( 4304 PWs) bands (ev): -13.2024 -13.2024 -13.2023 -13.2023 -10.1509 -10.1509 -10.1508 -10.1508 -8.9789 -8.9789 -8.9788 -8.9788 -3.9757 -3.9757 -3.9756 -3.9756 -0.4347 -0.4347 -0.4347 -0.4347 -0.1884 -0.1884 -0.1879 -0.1879 0.8191 0.8191 0.8200 0.8200 1.8481 1.8481 1.8484 1.8484 2.7560 2.7560 2.7566 2.7566 3.7484 3.7484 3.7490 3.7490 4.0435 4.0435 4.0436 4.0436 5.2911 5.2911 5.2912 5.2912 11.4274 11.4274 11.4278 11.4278 12.2527 12.2527 12.2529 12.2529 12.8576 12.8576 k = 0.0000 0.0000 0.5382 ( 4300 PWs) bands (ev): -13.2025 -13.2025 -13.2025 -13.2025 -10.1514 -10.1514 -10.1514 -10.1514 -8.9771 -8.9771 -8.9771 -8.9771 -3.9782 -3.9782 -3.9782 -3.9782 -0.4357 -0.4357 -0.4357 -0.4357 -0.1874 -0.1874 -0.1874 -0.1874 0.8201 0.8201 0.8201 0.8201 1.8488 1.8488 1.8488 1.8488 2.7567 2.7567 2.7567 2.7567 3.7499 3.7499 3.7499 3.7499 4.0436 4.0436 4.0436 4.0436 5.2919 5.2919 5.2919 5.2919 11.4256 11.4256 11.4256 11.4256 12.2533 12.2533 12.2533 12.2533 12.8564 12.8564 k = 0.0000 0.0000 0.5382 ( 4300 PWs) bands (ev): -13.2025 -13.2025 -13.2025 -13.2025 -10.1514 -10.1514 -10.1514 -10.1514 -8.9771 -8.9771 -8.9771 -8.9771 -3.9782 -3.9782 -3.9782 -3.9782 -0.4357 -0.4357 -0.4357 -0.4357 -0.1874 -0.1874 -0.1874 -0.1874 0.8201 0.8201 0.8201 0.8201 1.8488 1.8488 1.8488 1.8488 2.7567 2.7567 2.7567 2.7567 3.7499 3.7499 3.7499 3.7499 4.0436 4.0436 4.0436 4.0436 5.2919 5.2919 5.2919 5.2919 11.4256 11.4256 11.4256 11.4256 12.2533 12.2533 12.2533 12.2533 12.8564 12.8564 k = 0.0000 0.0000 0.5219 ( 4284 PWs) bands (ev): -13.2175 -13.2175 -13.1877 -13.1877 -10.1913 -10.1913 -10.1104 -10.1104 -8.9786 -8.9786 -8.9760 -8.9760 -3.9814 -3.9814 -3.9723 -3.9723 -0.4612 -0.4612 -0.4100 -0.4100 -0.2906 -0.2906 -0.0926 -0.0926 0.8231 0.8231 0.8256 0.8256 1.8258 1.8258 1.8671 1.8671 2.7566 2.7566 2.7585 2.7585 3.7403 3.7403 3.7592 3.7592 4.0191 4.0191 4.0672 4.0672 5.2713 5.2713 5.3113 5.3113 11.4296 11.4296 11.4314 11.4314 12.2460 12.2460 12.2594 12.2594 12.8220 12.8220 k = 0.0000 0.0000 0.5056 ( 4306 PWs) bands (ev): -13.2326 -13.2326 -13.1731 -13.1731 -10.2300 -10.2300 -10.0683 -10.0683 -8.9808 -8.9808 -8.9755 -8.9755 -3.9818 -3.9818 -3.9635 -3.9635 -0.4863 -0.4863 -0.4006 -0.4006 -0.3833 -0.3833 -0.0087 -0.0087 0.8356 0.8356 0.8386 0.8386 1.7981 1.7981 1.8804 1.8804 2.7582 2.7582 2.7622 2.7622 3.7304 3.7304 3.7682 3.7682 3.9938 3.9938 4.0896 4.0896 5.2495 5.2495 5.3292 5.3292 11.4433 11.4433 11.4471 11.4471 12.2384 12.2384 12.2625 12.2625 12.7868 12.7868 k = 0.0000 0.0000 0.4893 ( 4310 PWs) bands (ev): -13.2478 -13.2478 -13.1587 -13.1587 -10.2675 -10.2675 -10.0252 -10.0252 -8.9834 -8.9834 -8.9755 -8.9755 -3.9796 -3.9796 -3.9520 -3.9520 -0.5139 -0.5139 -0.5107 -0.5107 -0.3578 -0.3578 0.0617 0.0617 0.8531 0.8531 0.8647 0.8647 1.7659 1.7659 1.8886 1.8886 2.7611 2.7611 2.7681 2.7681 3.7203 3.7203 3.7768 3.7768 3.9678 3.9678 4.1110 4.1110 5.2264 5.2264 5.3459 5.3459 11.4668 11.4668 11.4725 11.4725 12.2313 12.2313 12.2605 12.2605 12.7540 12.7540 k = 0.0000 0.0000 0.4730 ( 4304 PWs) bands (ev): -13.2631 -13.2631 -13.1446 -13.1446 -10.3038 -10.3038 -9.9811 -9.9811 -8.9866 -8.9866 -8.9761 -8.9761 -3.9747 -3.9747 -3.9377 -3.9377 -0.6302 -0.6302 -0.5350 -0.5350 -0.3318 -0.3318 0.1167 0.1167 0.8736 0.8736 0.9059 0.9059 1.7294 1.7294 1.8917 1.8917 2.7654 2.7654 2.7763 2.7763 3.7100 3.7100 3.7851 3.7851 3.9415 3.9415 4.1311 4.1311 5.2023 5.2023 5.3611 5.3611 11.4997 11.4997 11.5074 11.5074 12.2251 12.2251 12.2506 12.2506 12.7271 12.7271 k = 0.0000 0.0000 0.4566 ( 4308 PWs) bands (ev): -13.2784 -13.2784 -13.1308 -13.1308 -10.3388 -10.3388 -9.9361 -9.9361 -8.9902 -8.9902 -8.9771 -8.9771 -3.9672 -3.9672 -3.9207 -3.9207 -0.7485 -0.7485 -0.5585 -0.5585 -0.3058 -0.3058 0.1562 0.1562 0.8970 0.8970 0.9614 0.9614 1.6888 1.6888 1.8896 1.8896 2.7708 2.7708 2.7870 2.7870 3.6995 3.6995 3.7929 3.7929 3.9150 3.9150 4.1501 4.1501 5.1772 5.1772 5.3750 5.3750 11.5419 11.5419 11.5517 11.5517 12.2200 12.2200 12.2302 12.2302 12.7095 12.7095 k = 0.0000 0.0000 0.4403 ( 4302 PWs) bands (ev): -13.2936 -13.2936 -13.1173 -13.1173 -10.3725 -10.3725 -9.8903 -9.8903 -8.9943 -8.9943 -8.9787 -8.9787 -3.9573 -3.9573 -3.9010 -3.9010 -0.8679 -0.8679 -0.5812 -0.5812 -0.2800 -0.2800 0.1815 0.1815 0.9226 0.9226 1.0294 1.0294 1.6444 1.6444 1.8823 1.8823 2.7772 2.7772 2.8004 2.8004 3.6888 3.6888 3.8004 3.8004 3.8887 3.8887 4.1679 4.1679 5.1512 5.1512 5.3875 5.3875 11.5929 11.5929 11.6050 11.6050 12.1979 12.1979 12.2162 12.2162 12.7035 12.7035 k = 0.0000 0.0000 0.4240 ( 4300 PWs) bands (ev): -13.3088 -13.3088 -13.1041 -13.1041 -10.4049 -10.4049 -9.8438 -9.8438 -8.9988 -8.9988 -8.9807 -8.9807 -3.9451 -3.9451 -3.8787 -3.8787 -0.9875 -0.9875 -0.6031 -0.6031 -0.2545 -0.2545 0.1954 0.1954 0.9501 0.9501 1.1067 1.1067 1.5963 1.5963 1.8698 1.8698 2.7844 2.7844 2.8168 2.8168 3.6781 3.6781 3.8073 3.8073 3.8630 3.8630 4.1847 4.1847 5.1243 5.1243 5.3987 5.3987 11.6524 11.6524 11.6671 11.6671 12.1540 12.1540 12.2136 12.2136 12.7093 12.7093 k = 0.0000 0.0000 0.4077 ( 4290 PWs) bands (ev): -13.3239 -13.3239 -13.0913 -13.0913 -10.4361 -10.4361 -9.7967 -9.7967 -9.0037 -9.0037 -8.9832 -8.9832 -3.9306 -3.9306 -3.8539 -3.8539 -1.1069 -1.1069 -0.6241 -0.6241 -0.2293 -0.2293 0.2005 0.2005 0.9791 0.9791 1.1902 1.1902 1.5450 1.5450 1.8523 1.8523 2.7922 2.7922 2.8363 2.8363 3.6672 3.6672 3.8131 3.8131 3.8385 3.8385 4.2004 4.2004 5.0969 5.0969 5.4086 5.4086 11.7198 11.7198 11.7375 11.7375 12.1004 12.1004 12.2121 12.2121 12.7255 12.7255 k = 0.0000 0.0000 0.3914 ( 4286 PWs) bands (ev): -13.3388 -13.3388 -13.0790 -13.0790 -10.4659 -10.4659 -9.7490 -9.7490 -9.0089 -9.0089 -8.9861 -8.9861 -3.9140 -3.9140 -3.8267 -3.8267 -1.2256 -1.2256 -0.6442 -0.6442 -0.2046 -0.2046 0.1992 0.1992 1.0093 1.0093 1.2769 1.2769 1.4906 1.4906 1.8297 1.8297 2.8005 2.8005 2.8593 2.8593 3.6564 3.6564 3.8092 3.8092 3.8243 3.8243 4.2153 4.2153 5.0688 5.0688 5.4173 5.4173 11.7946 11.7946 11.8158 11.8158 12.0394 12.0394 12.2116 12.2116 12.7502 12.7502 k = 0.0000 0.0000 0.3751 ( 4282 PWs) bands (ev): -13.3535 -13.3535 -13.0670 -13.0670 -10.4944 -10.4944 -9.7010 -9.7010 -9.0144 -9.0144 -8.9893 -8.9893 -3.8955 -3.8955 -3.7972 -3.7972 -1.3431 -1.3431 -0.6632 -0.6632 -0.1806 -0.1806 0.1934 0.1934 1.0404 1.0404 1.3645 1.3645 1.4334 1.4334 1.8024 1.8024 2.8091 2.8091 2.8859 2.8859 3.6455 3.6455 3.7881 3.7881 3.8281 3.8281 4.2294 4.2294 5.0404 5.0404 5.4248 5.4248 11.8761 11.8761 11.9017 11.9017 11.9731 11.9731 12.2119 12.2119 12.7818 12.7818 k = 0.0000 0.0000 0.3588 ( 4288 PWs) bands (ev): -13.3680 -13.3680 -13.0555 -13.0555 -10.5216 -10.5216 -9.6527 -9.6527 -9.0202 -9.0202 -8.9928 -8.9928 -3.8752 -3.8752 -3.7655 -3.7655 -1.4590 -1.4590 -0.6811 -0.6811 -0.1572 -0.1572 0.1846 0.1846 1.0723 1.0723 1.3739 1.3739 1.4511 1.4511 1.7705 1.7705 2.8179 2.8179 2.9163 2.9163 3.6346 3.6346 3.7664 3.7664 3.8333 3.8333 4.2428 4.2428 5.0117 5.0117 5.4313 5.4313 11.9031 11.9031 11.9633 11.9633 11.9946 11.9946 12.2128 12.2128 12.8188 12.8188 k = 0.0000 0.0000 0.3425 ( 4294 PWs) bands (ev): -13.3821 -13.3821 -13.0444 -13.0444 -10.5475 -10.5475 -9.6043 -9.6043 -9.0261 -9.0261 -8.9967 -8.9967 -3.8534 -3.8534 -3.7319 -3.7319 -1.5729 -1.5729 -0.6978 -0.6978 -0.1345 -0.1345 0.1736 0.1736 1.1047 1.1047 1.3124 1.3124 1.5352 1.5352 1.7344 1.7344 2.8267 2.8267 2.9506 2.9506 3.6239 3.6239 3.7459 3.7459 3.8385 3.8385 4.2557 4.2557 4.9830 4.9830 5.4367 5.4367 11.8307 11.8307 12.0551 12.0551 12.0939 12.0939 12.2141 12.2141 12.8598 12.8598 k = 0.0000 0.0000 0.3262 ( 4296 PWs) bands (ev): -13.3960 -13.3960 -13.0337 -13.0337 -10.5721 -10.5721 -9.5560 -9.5560 -9.0322 -9.0322 -9.0007 -9.0007 -3.8302 -3.8302 -3.6964 -3.6964 -1.6846 -1.6846 -0.7133 -0.7133 -0.1128 -0.1128 0.1614 0.1614 1.1375 1.1375 1.2493 1.2493 1.6157 1.6157 1.6945 1.6945 2.8353 2.8353 2.9890 2.9890 3.6132 3.6132 3.7268 3.7268 3.8434 3.8434 4.2680 4.2680 4.9542 4.9542 5.4412 5.4412 11.7570 11.7570 12.1498 12.1498 12.1992 12.1992 12.2155 12.2155 12.8740 12.8740 k = 0.0000 0.0000 0.3099 ( 4296 PWs) bands (ev): -13.4095 -13.4095 -13.0236 -13.0236 -10.5954 -10.5954 -9.5079 -9.5079 -9.0385 -9.0385 -9.0050 -9.0050 -3.8058 -3.8058 -3.6594 -3.6594 -1.7937 -1.7937 -0.7275 -0.7275 -0.0921 -0.0921 0.1483 0.1483 1.1703 1.1703 1.1853 1.1853 1.6509 1.6509 1.6919 1.6919 2.8436 2.8436 3.0314 3.0314 3.6027 3.6027 3.7092 3.7092 3.8480 3.8480 4.2798 4.2798 4.9257 4.9257 5.4450 5.4450 11.6826 11.6826 12.2164 12.2164 12.2450 12.2450 12.3102 12.3102 12.8615 12.8615 k = 0.0000 0.0000 0.2936 ( 4300 PWs) bands (ev): -13.4225 -13.4225 -13.0139 -13.0139 -10.6174 -10.6174 -9.4602 -9.4602 -9.0447 -9.0447 -9.0094 -9.0094 -3.7804 -3.7804 -3.6209 -3.6209 -1.8999 -1.8999 -0.7403 -0.7403 -0.0726 -0.0726 0.1348 0.1348 1.1199 1.1199 1.2039 1.2039 1.6046 1.6046 1.7628 1.7628 2.8514 2.8514 3.0775 3.0775 3.5924 3.5924 3.6931 3.6931 3.8525 3.8525 4.2913 4.2913 4.8975 4.8975 5.4480 5.4480 11.6082 11.6082 12.2171 12.2171 12.3364 12.3364 12.4260 12.4260 12.8506 12.8506 k = 0.0000 0.0000 0.2773 ( 4306 PWs) bands (ev): -13.4352 -13.4352 -13.0047 -13.0047 -10.6381 -10.6381 -9.4131 -9.4131 -9.0510 -9.0510 -9.0139 -9.0139 -3.7544 -3.7544 -3.5813 -3.5813 -2.0028 -2.0028 -0.7518 -0.7518 -0.0543 -0.0543 0.1211 0.1211 1.0546 1.0546 1.2370 1.2370 1.5558 1.5558 1.8283 1.8283 2.8586 2.8586 3.1270 3.1270 3.5824 3.5824 3.6786 3.6786 3.8567 3.8567 4.3024 4.3024 4.8698 4.8698 5.4505 5.4505 11.5344 11.5344 12.2170 12.2170 12.4170 12.4170 12.5461 12.5461 12.8420 12.8420 k = 0.0000 0.0000 0.2609 ( 4310 PWs) bands (ev): -13.4473 -13.4473 -12.9960 -12.9960 -10.6576 -10.6576 -9.3669 -9.3669 -9.0572 -9.0572 -9.0184 -9.0184 -3.7279 -3.7279 -3.5409 -3.5409 -2.1022 -2.1022 -0.7618 -0.7618 -0.0374 -0.0374 0.1076 0.1076 0.9897 0.9897 1.2698 1.2698 1.5050 1.5050 1.8884 1.8884 2.8651 2.8651 3.1793 3.1793 3.5727 3.5727 3.6655 3.6655 3.8608 3.8608 4.3132 4.3132 4.8428 4.8428 5.4525 5.4525 11.4617 11.4617 12.2160 12.2160 12.4757 12.4757 12.6699 12.6699 12.8359 12.8359 k = 0.0000 0.0000 0.2446 ( 4314 PWs) bands (ev): -13.4589 -13.4589 -12.9878 -12.9878 -10.6758 -10.6758 -9.3216 -9.3216 -9.0634 -9.0634 -9.0229 -9.0229 -3.7011 -3.7011 -3.4999 -3.4999 -2.1977 -2.1977 -0.7705 -0.7705 -0.0221 -0.0221 0.0944 0.0944 0.9256 0.9256 1.3023 1.3023 1.4528 1.4528 1.9429 1.9429 2.8707 2.8707 3.2339 3.2339 3.5633 3.5633 3.6539 3.6539 3.8649 3.8649 4.3237 4.3237 4.8166 4.8166 5.4542 5.4542 11.3904 11.3904 12.2140 12.2140 12.5009 12.5009 12.7969 12.7969 12.8325 12.8325 k = 0.0000 0.0000 0.2283 ( 4314 PWs) bands (ev): -13.4699 -13.4699 -12.9802 -12.9802 -10.6928 -10.6928 -9.2776 -9.2776 -9.0693 -9.0693 -9.0274 -9.0274 -3.6744 -3.6744 -3.4586 -3.4586 -2.2890 -2.2890 -0.7777 -0.7777 -0.0085 -0.0085 0.0816 0.0816 0.8629 0.8629 1.3342 1.3342 1.3998 1.3998 1.9920 1.9920 2.8755 2.8755 3.2898 3.2898 3.5545 3.5545 3.6435 3.6435 3.8688 3.8688 4.3339 4.3339 4.7912 4.7912 5.4556 5.4556 11.3211 11.3211 12.2110 12.2110 12.4913 12.4913 12.8318 12.8318 12.9264 12.9264 k = 0.0000 0.0000 0.2120 ( 4306 PWs) bands (ev): -13.4803 -13.4803 -12.9730 -12.9730 -10.7086 -10.7086 -9.2352 -9.2352 -9.0751 -9.0751 -9.0318 -9.0318 -3.6480 -3.6480 -3.4174 -3.4174 -2.3758 -2.3758 -0.7836 -0.7836 0.0032 0.0032 0.0694 0.0694 0.8023 0.8023 1.3466 1.3466 1.3654 1.3654 2.0361 2.0361 2.8792 2.8792 3.3460 3.3460 3.5464 3.5464 3.6344 3.6344 3.8727 3.8727 4.3437 4.3437 4.7670 4.7670 5.4568 5.4568 11.2541 11.2541 12.2070 12.2070 12.4576 12.4576 12.8339 12.8339 13.0576 13.0576 k = 0.0000 0.0000 0.1957 ( 4302 PWs) bands (ev): -13.4901 -13.4901 -12.9664 -12.9664 -10.7231 -10.7231 -9.1944 -9.1944 -9.0806 -9.0806 -9.0360 -9.0360 -3.6221 -3.6221 -3.3766 -3.3766 -2.4578 -2.4578 -0.7882 -0.7882 0.0128 0.0128 0.0579 0.0579 0.7443 0.7443 1.2940 1.2940 1.3956 1.3956 2.0754 2.0754 2.8820 2.8820 3.4013 3.4013 3.5395 3.5395 3.6265 3.6265 3.8766 3.8766 4.3531 4.3531 4.7439 4.7439 5.4580 5.4580 11.1898 11.1898 12.2022 12.2022 12.4113 12.4113 12.8385 12.8385 13.1899 13.1899 k = 0.0000 0.0000 0.1794 ( 4298 PWs) bands (ev): -13.4992 -13.4992 -12.9603 -12.9603 -10.7364 -10.7364 -9.1557 -9.1557 -9.0859 -9.0859 -9.0401 -9.0401 -3.5971 -3.5971 -3.3367 -3.3367 -2.5347 -2.5347 -0.7915 -0.7915 0.0201 0.0201 0.0470 0.0470 0.6898 0.6898 1.2424 1.2424 1.4246 1.4246 2.1103 2.1103 2.8838 2.8838 3.4529 3.4529 3.5356 3.5356 3.6196 3.6196 3.8804 3.8804 4.3621 4.3621 4.7222 4.7222 5.4591 5.4591 11.1287 11.1287 12.1967 12.1967 12.3602 12.3602 12.8452 12.8452 13.3223 13.3223 k = 0.0000 0.0000 0.1631 ( 4310 PWs) bands (ev): -13.5076 -13.5076 -12.9547 -12.9547 -10.7485 -10.7485 -9.1193 -9.1193 -9.0908 -9.0908 -9.0439 -9.0439 -3.5732 -3.5732 -3.2981 -3.2981 -2.6062 -2.6062 -0.7936 -0.7936 0.0248 0.0248 0.0371 0.0371 0.6394 0.6394 1.1924 1.1924 1.4523 1.4523 2.1412 2.1412 2.8847 2.8847 3.4913 3.4913 3.5432 3.5432 3.6139 3.6139 3.8842 3.8842 4.3706 4.3706 4.7018 4.7018 5.4603 5.4603 11.0712 11.0712 12.1907 12.1907 12.3084 12.3084 12.8536 12.8536 13.4159 13.4159 k = 0.0000 0.0000 0.1468 ( 4310 PWs) bands (ev): -13.5153 -13.5153 -12.9496 -12.9496 -10.7594 -10.7594 -9.0957 -9.0957 -9.0850 -9.0850 -9.0475 -9.0475 -3.5507 -3.5507 -3.2612 -3.2612 -2.6720 -2.6720 -0.7947 -0.7947 0.0258 0.0258 0.0291 0.0291 0.5936 0.5936 1.1448 1.1448 1.4783 1.4783 2.1683 2.1683 2.8848 2.8848 3.5015 3.5015 3.5762 3.5762 3.6097 3.6097 3.8880 3.8880 4.3785 4.3785 4.6830 4.6830 5.4616 5.4616 11.0175 11.0175 12.1845 12.1845 12.2586 12.2586 12.8635 12.8635 13.4601 13.4601 k = 0.0000 0.0000 0.1305 ( 4314 PWs) bands (ev): -13.5223 -13.5223 -12.9451 -12.9451 -10.7692 -10.7692 -9.0997 -9.0997 -9.0545 -9.0545 -9.0502 -9.0502 -3.5297 -3.5297 -3.2265 -3.2265 -2.7318 -2.7318 -0.7950 -0.7950 0.0189 0.0189 0.0273 0.0273 0.5531 0.5531 1.1000 1.1000 1.5025 1.5025 2.1919 2.1919 2.8842 2.8842 3.4995 3.4995 3.6009 3.6009 3.6237 3.6237 3.8917 3.8917 4.3859 4.3859 4.6659 4.6659 5.4630 5.4630 10.9683 10.9683 12.1782 12.1782 12.2120 12.2120 12.8741 12.8741 13.5003 13.5003 k = 0.0000 0.0000 0.1142 ( 4314 PWs) bands (ev): -13.5285 -13.5285 -12.9411 -12.9411 -10.7778 -10.7778 -9.1035 -9.1035 -9.0539 -9.0539 -9.0256 -9.0256 -3.5106 -3.5106 -3.1944 -3.1944 -2.7853 -2.7853 -0.7945 -0.7945 0.0115 0.0115 0.0245 0.0245 0.5182 0.5182 1.0588 1.0588 1.5246 1.5246 2.2122 2.2122 2.8830 2.8830 3.4955 3.4955 3.5991 3.5991 3.6637 3.6637 3.8952 3.8952 4.3926 4.3926 4.6505 4.6505 5.4644 5.4644 10.9237 10.9237 12.1691 12.1691 12.1727 12.1727 12.8852 12.8852 13.5360 13.5360 k = 0.0000 0.0000 0.0979 ( 4314 PWs) bands (ev): -13.5339 -13.5339 -12.9377 -12.9377 -10.7852 -10.7852 -9.1068 -9.1068 -9.0566 -9.0566 -9.0006 -9.0006 -3.4936 -3.4936 -3.1654 -3.1654 -2.8322 -2.8322 -0.7935 -0.7935 0.0050 0.0050 0.0197 0.0197 0.4890 0.4890 1.0216 1.0216 1.5444 1.5444 2.2296 2.2296 2.8814 2.8814 3.4912 3.4912 3.5963 3.5963 3.7013 3.7013 3.8984 3.8984 4.3985 4.3985 4.6369 4.6369 5.4658 5.4658 10.8842 10.8842 12.1318 12.1318 12.1667 12.1667 12.8961 12.8961 13.5669 13.5669 k = 0.0000 0.0000 0.0815 ( 4308 PWs) bands (ev): -13.5385 -13.5385 -12.9347 -12.9347 -10.7914 -10.7914 -9.1096 -9.1096 -9.0588 -9.0588 -8.9791 -8.9791 -3.4788 -3.4788 -3.1399 -3.1399 -2.8724 -2.8724 -0.7921 -0.7921 -0.0005 -0.0005 0.0136 0.0136 0.4655 0.4655 0.9891 0.9891 1.5616 1.5616 2.2440 2.2440 2.8797 2.8797 3.4874 3.4874 3.5939 3.5939 3.7342 3.7342 3.9014 3.9014 4.4036 4.4036 4.6252 4.6252 5.4672 5.4672 10.8502 10.8502 12.0994 12.0994 12.1617 12.1617 12.9065 12.9065 13.5928 13.5928 k = 0.0000 0.0000 0.0652 ( 4316 PWs) bands (ev): -13.5423 -13.5423 -12.9323 -12.9323 -10.7966 -10.7966 -9.1120 -9.1120 -9.0607 -9.0607 -8.9612 -8.9612 -3.4664 -3.4664 -3.1184 -3.1184 -2.9055 -2.9055 -0.7907 -0.7907 -0.0051 -0.0051 0.0068 0.0068 0.4472 0.4472 0.9618 0.9618 1.5760 1.5760 2.2557 2.2557 2.8780 2.8780 3.4840 3.4840 3.5920 3.5920 3.7618 3.7618 3.9040 3.9040 4.4079 4.4079 4.6155 4.6155 5.4684 5.4684 10.8219 10.8219 12.0725 12.0725 12.1573 12.1573 12.9157 12.9157 13.6136 13.6136 k = 0.0000 0.0000 0.0489 ( 4308 PWs) bands (ev): -13.5452 -13.5452 -12.9305 -12.9305 -10.8005 -10.8005 -9.1139 -9.1139 -9.0622 -9.0622 -8.9471 -8.9471 -3.4567 -3.4567 -3.1013 -3.1013 -2.9315 -2.9315 -0.7894 -0.7894 -0.0087 -0.0087 0.0004 0.0004 0.4337 0.4337 0.9400 0.9400 1.5875 1.5875 2.2646 2.2646 2.8764 2.8764 3.4814 3.4814 3.5905 3.5905 3.7836 3.7836 3.9062 3.9062 4.4113 4.4113 4.6080 4.6080 5.4695 5.4695 10.7995 10.7995 12.0514 12.0514 12.1539 12.1539 12.9234 12.9234 13.6295 13.6295 k = 0.0000 0.0000 0.0326 ( 4310 PWs) bands (ev): -13.5473 -13.5473 -12.9291 -12.9291 -10.8034 -10.8034 -9.1152 -9.1152 -9.0633 -9.0633 -8.9369 -8.9369 -3.4496 -3.4496 -3.0888 -3.0888 -2.9502 -2.9502 -0.7882 -0.7882 -0.0112 -0.0112 -0.0049 -0.0049 0.4245 0.4245 0.9241 0.9241 1.5958 1.5958 2.2710 2.2710 2.8752 2.8752 3.4794 3.4794 3.5895 3.5895 3.7994 3.7994 3.9078 3.9078 4.4138 4.4138 4.6025 4.6025 5.4704 5.4704 10.7834 10.7834 12.0362 12.0362 12.1513 12.1513 12.9292 12.9292 13.6405 13.6405 k = 0.0000 0.0000 0.0163 ( 4307 PWs) bands (ev): -13.5486 -13.5486 -12.9283 -12.9283 -10.8051 -10.8051 -9.1160 -9.1160 -9.0639 -9.0639 -8.9308 -8.9308 -3.4453 -3.4453 -3.0812 -3.0812 -2.9614 -2.9614 -0.7875 -0.7875 -0.0127 -0.0127 -0.0084 -0.0084 0.4191 0.4191 0.9145 0.9145 1.6008 1.6008 2.2748 2.2748 2.8744 2.8744 3.4783 3.4783 3.5889 3.5889 3.8089 3.8089 3.9088 3.9088 4.4152 4.4152 4.5992 4.5992 5.4709 5.4709 10.7737 10.7737 12.0271 12.0271 12.1498 12.1498 12.9328 12.9328 13.6471 13.6471 k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.5490 -13.5490 -12.9281 -12.9281 -10.8056 -10.8056 -9.1163 -9.1163 -9.0641 -9.0641 -8.9287 -8.9287 -3.4439 -3.4439 -3.0786 -3.0786 -2.9652 -2.9652 -0.7873 -0.7873 -0.0133 -0.0133 -0.0096 -0.0096 0.4174 0.4174 0.9113 0.9113 1.6025 1.6025 2.2761 2.2761 2.8741 2.8741 3.4779 3.4779 3.5887 3.5887 3.8121 3.8121 3.9091 3.9091 4.4157 4.4157 4.5981 4.5981 5.4711 5.4711 10.7705 10.7705 12.0240 12.0240 12.1493 12.1493 12.9340 12.9340 13.6492 13.6492 k = 0.0000 0.0000 0.0000 ( 4311 PWs) bands (ev): -13.5490 -13.5490 -12.9281 -12.9281 -10.8056 -10.8056 -9.1163 -9.1163 -9.0641 -9.0641 -8.9287 -8.9287 -3.4439 -3.4439 -3.0786 -3.0786 -2.9652 -2.9652 -0.7873 -0.7873 -0.0133 -0.0133 -0.0096 -0.0096 0.4174 0.4174 0.9113 0.9113 1.6025 1.6025 2.2761 2.2761 2.8741 2.8741 3.4779 3.4779 3.5887 3.5887 3.8121 3.8121 3.9091 3.9091 4.4157 4.4157 4.5981 4.5981 5.4711 5.4711 10.7705 10.7705 12.0240 12.0240 12.1493 12.1493 12.9340 12.9340 13.6492 13.6492 k =-0.0139 0.0086 0.0000 ( 4307 PWs) bands (ev): -13.5484 -13.5484 -12.9281 -12.9281 -10.8072 -10.8071 -9.1161 -9.1160 -9.0644 -9.0641 -8.9287 -8.9283 -3.4417 -3.4414 -3.0890 -3.0889 -2.9541 -2.9536 -0.7881 -0.7878 -0.0118 -0.0118 -0.0107 -0.0107 0.4159 0.4161 0.9103 0.9104 1.6038 1.6038 2.2772 2.2773 2.8735 2.8735 3.4767 3.4771 3.5857 3.5861 3.8117 3.8118 3.9086 3.9086 4.4149 4.4152 4.6001 4.6003 5.4703 5.4703 10.7737 10.7737 12.0054 12.0072 12.1664 12.1673 12.9343 12.9344 13.6483 13.6485 k =-0.0278 0.0172 0.0000 ( 4303 PWs) bands (ev): -13.5467 -13.5467 -12.9282 -12.9282 -10.8117 -10.8117 -9.1157 -9.1155 -9.0650 -9.0644 -8.9282 -8.9273 -3.4347 -3.4342 -3.1126 -3.1125 -2.9275 -2.9268 -0.7901 -0.7895 -0.0143 -0.0143 -0.0073 -0.0073 0.4114 0.4119 0.9076 0.9078 1.6076 1.6077 2.2806 2.2808 2.8717 2.8718 3.4734 3.4743 3.5774 3.5781 3.8105 3.8107 3.9071 3.9071 4.4128 4.4135 4.6060 4.6064 5.4680 5.4680 10.7834 10.7834 11.9671 11.9698 12.2039 12.2049 12.9353 12.9353 13.6457 13.6462 k =-0.0417 0.0257 0.0000 ( 4303 PWs) bands (ev): -13.5438 -13.5437 -12.9284 -12.9283 -10.8192 -10.8192 -9.1150 -9.1147 -9.0658 -9.0649 -8.9273 -8.9259 -3.4230 -3.4223 -3.1410 -3.1408 -2.8942 -2.8933 -0.7934 -0.7925 -0.0201 -0.0200 -0.0000 0.0001 0.4042 0.4048 0.9030 0.9034 1.6141 1.6141 2.2863 2.2866 2.8688 2.8689 3.4676 3.4689 3.5641 3.5653 3.8087 3.8089 3.9045 3.9046 4.4100 4.4109 4.6155 4.6160 5.4642 5.4642 10.7994 10.7995 11.9231 11.9263 12.2470 12.2478 12.9369 12.9370 13.6415 13.6422 k =-0.0556 0.0343 0.0000 ( 4309 PWs) bands (ev): -13.5397 -13.5396 -12.9287 -12.9285 -10.8297 -10.8296 -9.1139 -9.1135 -9.0667 -9.0657 -8.9259 -8.9241 -3.4067 -3.4058 -3.1707 -3.1704 -2.8576 -2.8565 -0.7979 -0.7967 -0.0282 -0.0281 0.0102 0.0103 0.3943 0.3950 0.8967 0.8971 1.6230 1.6230 2.2943 2.2946 2.8647 2.8649 3.4584 3.4601 3.5471 3.5487 3.8061 3.8063 3.9010 3.9011 4.4070 4.4081 4.6278 4.6284 5.4588 5.4589 10.8217 10.8219 11.8780 11.8817 12.2910 12.2915 12.9393 12.9394 13.6358 13.6366 k =-0.0694 0.0429 0.0000 ( 4315 PWs) bands (ev): -13.5344 -13.5344 -12.9290 -12.9288 -10.8430 -10.8428 -9.1126 -9.1121 -9.0679 -9.0665 -8.9242 -8.9221 -3.3858 -3.3847 -3.2004 -3.1999 -2.8191 -2.8177 -0.8035 -0.8020 -0.0385 -0.0383 0.0232 0.0233 0.3816 0.3826 0.8886 0.8891 1.6344 1.6345 2.3044 2.3048 2.8596 2.8599 3.4440 3.4462 3.5282 3.5301 3.8028 3.8030 3.8963 3.8965 4.4043 4.4055 4.6424 4.6429 5.4521 5.4522 10.8500 10.8502 11.8335 11.8377 12.3339 12.3340 12.9425 12.9428 13.6285 13.6294 k =-0.0833 0.0515 0.0000 ( 4319 PWs) bands (ev): -13.5281 -13.5280 -12.9293 -12.9291 -10.8589 -10.8588 -9.1110 -9.1105 -9.0690 -9.0675 -8.9222 -8.9197 -3.3604 -3.3590 -3.2294 -3.2288 -2.7792 -2.7776 -0.8101 -0.8084 -0.0510 -0.0507 0.0389 0.0391 0.3665 0.3676 0.8787 0.8793 1.6482 1.6483 2.3165 2.3170 2.8535 2.8538 3.4225 3.4248 3.5099 3.5118 3.7989 3.7991 3.8906 3.8907 4.4023 4.4036 4.6586 4.6590 5.4440 5.4441 10.8841 10.8844 11.7907 11.7953 12.3743 12.3745 12.9469 12.9472 13.6198 13.6208 k =-0.0972 0.0600 0.0000 ( 4309 PWs) bands (ev): -13.5206 -13.5206 -12.9297 -12.9295 -10.8775 -10.8773 -9.1093 -9.1086 -9.0702 -9.0685 -8.9200 -8.9172 -3.3306 -3.3290 -3.2575 -3.2568 -2.7383 -2.7365 -0.8177 -0.8156 -0.0656 -0.0652 0.0572 0.0574 0.3489 0.3501 0.8671 0.8678 1.6644 1.6645 2.3306 2.3312 2.8465 2.8469 3.3926 3.3947 3.4938 3.4955 3.7944 3.7946 3.8838 3.8839 4.4013 4.4026 4.6758 4.6762 5.4346 5.4347 10.9238 10.9240 11.7501 11.7550 12.4117 12.4121 12.9524 12.9529 13.6098 13.6109 k =-0.1111 0.0686 0.0000 ( 4307 PWs) bands (ev): -13.5120 -13.5120 -12.9302 -12.9299 -10.8985 -10.8983 -9.1074 -9.1066 -9.0713 -9.0695 -8.9177 -8.9146 -3.2965 -3.2947 -3.2846 -3.2836 -2.6966 -2.6946 -0.8260 -0.8237 -0.0822 -0.0817 0.0780 0.0782 0.3291 0.3304 0.8538 0.8546 1.6828 1.6829 2.3465 2.3472 2.8387 2.8392 3.3545 3.3563 3.4798 3.4810 3.7894 3.7895 3.8758 3.8760 4.4014 4.4027 4.6938 4.6940 5.4239 5.4240 10.9686 10.9689 11.7122 11.7174 12.4456 12.4461 12.9595 12.9601 13.5985 13.5997 k =-0.1250 0.0772 0.0000 ( 4295 PWs) bands (ev): -13.5024 -13.5024 -12.9307 -12.9304 -10.9218 -10.9216 -9.1053 -9.1045 -9.0723 -9.0704 -8.9153 -8.9120 -3.3104 -3.3094 -3.2582 -3.2562 -2.6543 -2.6520 -0.8351 -0.8325 -0.1007 -0.1000 0.1012 0.1014 0.3072 0.3086 0.8387 0.8396 1.7035 1.7035 2.3641 2.3648 2.8301 2.8307 3.3096 3.3112 3.4666 3.4673 3.7838 3.7838 3.8668 3.8670 4.4028 4.4039 4.7120 4.7121 5.4122 5.4123 11.0182 11.0186 11.6773 11.6829 12.4753 12.4760 12.9681 12.9689 13.5862 13.5874 k =-0.1389 0.0858 0.0000 ( 4298 PWs) bands (ev): -13.4918 -13.4917 -12.9313 -12.9309 -10.9472 -10.9469 -9.1032 -9.1023 -9.0731 -9.0711 -8.9130 -8.9094 -3.3349 -3.3338 -3.2160 -3.2137 -2.6114 -2.6088 -0.8448 -0.8419 -0.1209 -0.1200 0.1266 0.1268 0.2835 0.2849 0.8220 0.8229 1.7262 1.7263 2.3832 2.3840 2.8209 2.8216 3.2593 3.2606 3.4534 3.4537 3.7778 3.7778 3.8566 3.8568 4.4053 4.4064 4.7302 4.7302 5.3995 5.3996 11.0724 11.0728 11.6458 11.6517 12.5006 12.5014 12.9786 12.9795 13.5729 13.5741 k =-0.1528 0.0943 0.0000 ( 4294 PWs) bands (ev): -13.4801 -13.4801 -12.9318 -12.9315 -10.9744 -10.9742 -9.1010 -9.1001 -9.0737 -9.0716 -8.9108 -8.9070 -3.3581 -3.3569 -3.1699 -3.1674 -2.5680 -2.5653 -0.8550 -0.8518 -0.1428 -0.1417 0.1541 0.1543 0.2580 0.2594 0.8035 0.8044 1.7510 1.7510 2.4036 2.4045 2.8112 2.8119 3.2045 3.2057 3.4394 3.4394 3.7713 3.7714 3.8454 3.8456 4.4089 4.4099 4.7480 4.7482 5.3859 5.3860 11.1306 11.1311 11.6180 11.6241 12.5213 12.5220 12.9908 12.9919 13.5587 13.5599 k =-0.1667 0.1029 0.0000 ( 4294 PWs) bands (ev): -13.4676 -13.4675 -12.9325 -12.9321 -11.0035 -11.0032 -9.0988 -9.0978 -9.0740 -9.0718 -8.9087 -8.9047 -3.3800 -3.3787 -3.1201 -3.1175 -2.5244 -2.5214 -0.8656 -0.8621 -0.1662 -0.1648 0.1834 0.1838 0.2311 0.2324 0.7832 0.7843 1.7776 1.7776 2.4253 2.4262 2.8010 2.8018 3.1461 3.1472 3.4241 3.4244 3.7645 3.7647 3.8331 3.8333 4.4136 4.4145 4.7653 4.7657 5.3715 5.3717 11.1925 11.1930 11.5940 11.6003 12.5371 12.5378 13.0048 13.0061 13.5438 13.5449 k =-0.1806 0.1115 0.0000 ( 4298 PWs) bands (ev): -13.4541 -13.4540 -12.9331 -12.9328 -11.0340 -11.0338 -9.0967 -9.0956 -9.0741 -9.0718 -8.9069 -8.9027 -3.4005 -3.3992 -3.0669 -3.0640 -2.4805 -2.4773 -0.8765 -0.8727 -0.1909 -0.1892 0.2018 0.2038 0.2152 0.2155 0.7613 0.7624 1.8059 1.8060 2.4479 2.4489 2.7904 2.7914 3.0848 3.0858 3.4074 3.4080 3.7575 3.7577 3.8198 3.8201 4.4191 4.4198 4.7820 4.7826 5.3565 5.3567 11.2577 11.2583 11.5741 11.5806 12.5483 12.5489 13.0204 13.0218 13.5282 13.5293 k =-0.1944 0.1201 0.0000 ( 4306 PWs) bands (ev): -13.4398 -13.4397 -12.9338 -12.9334 -11.0658 -11.0656 -9.0945 -9.0934 -9.0737 -9.0714 -8.9053 -8.9010 -3.4196 -3.4182 -3.0104 -3.0073 -2.4365 -2.4331 -0.8876 -0.8836 -0.2168 -0.2148 0.1728 0.1742 0.2478 0.2480 0.7378 0.7389 1.8359 1.8361 2.4713 2.4724 2.7796 2.7807 3.0213 3.0222 3.3894 3.3902 3.7503 3.7505 3.8055 3.8059 4.4253 4.4259 4.7979 4.7987 5.3411 5.3413 11.3258 11.3264 11.5583 11.5649 12.5552 12.5557 13.0371 13.0387 13.5121 13.5131 k =-0.2083 0.1287 0.0000 ( 4298 PWs) bands (ev): -13.4247 -13.4246 -12.9346 -12.9341 -11.0988 -11.0985 -9.0925 -9.0913 -9.0730 -9.0706 -8.9041 -8.8996 -3.4374 -3.4359 -2.9509 -2.9476 -2.3925 -2.3888 -0.8988 -0.8945 -0.2437 -0.2414 0.1424 0.1436 0.2819 0.2821 0.7126 0.7137 1.8675 1.8677 2.4953 2.4965 2.7687 2.7699 2.9562 2.9570 3.3698 3.3708 3.7429 3.7432 3.7904 3.7908 4.4321 4.4325 4.8130 4.8138 5.3253 5.3256 11.3963 11.3970 11.5468 11.5535 12.5580 12.5584 13.0548 13.0564 13.4955 13.4964 k =-0.2222 0.1372 0.0000 ( 4294 PWs) bands (ev): -13.4089 -13.4088 -12.9353 -12.9349 -11.1326 -11.1324 -9.0905 -9.0893 -9.0720 -9.0695 -8.9032 -8.8986 -3.4538 -3.4523 -2.8885 -2.8850 -2.3485 -2.3446 -0.9100 -0.9054 -0.2715 -0.2687 0.1111 0.1122 0.3170 0.3172 0.6859 0.6871 1.9004 1.9007 2.5195 2.5208 2.7576 2.7590 2.8902 2.8910 3.3486 3.3499 3.7354 3.7357 3.7745 3.7750 4.4392 4.4395 4.8270 4.8280 5.3094 5.3096 11.4689 11.4697 11.5395 11.5464 12.5572 12.5574 13.0728 13.0745 13.4785 13.4793 k =-0.2361 0.1458 0.0000 ( 4280 PWs) bands (ev): -13.3925 -13.3924 -12.9360 -12.9356 -11.1671 -11.1669 -9.0886 -9.0874 -9.0705 -9.0680 -8.9027 -8.8980 -3.4688 -3.4673 -2.8236 -2.8199 -2.3047 -2.3006 -0.9212 -0.9163 -0.2998 -0.2966 0.0792 0.0801 0.3525 0.3528 0.6581 0.6593 1.9346 1.9349 2.5435 2.5450 2.7466 2.7480 2.8242 2.8250 3.3259 3.3273 3.7276 3.7279 3.7581 3.7586 4.4465 4.4467 4.8401 4.8412 5.2935 5.2937 11.5365 11.5432 11.5433 11.5442 12.5531 12.5533 13.0909 13.0925 13.4612 13.4618 k =-0.2500 0.1544 0.0000 ( 4280 PWs) bands (ev): -13.3755 -13.3754 -12.9368 -12.9363 -11.2020 -11.2018 -9.0868 -9.0856 -9.0687 -9.0661 -8.9026 -8.8979 -3.4825 -3.4810 -2.7564 -2.7525 -2.2612 -2.2570 -0.9322 -0.9271 -0.3285 -0.3249 0.0468 0.0475 0.3875 0.3879 0.6299 0.6311 1.9698 1.9703 2.5665 2.5681 2.7355 2.7372 2.7594 2.7602 3.3016 3.3032 3.7191 3.7195 3.7415 3.7421 4.4538 4.4539 4.8521 4.8534 5.2777 5.2779 11.5378 11.5447 11.6187 11.6196 12.5461 12.5462 13.1086 13.1102 13.4436 13.4441 k =-0.2639 0.1630 0.0000 ( 4280 PWs) bands (ev): -13.3581 -13.3580 -12.9375 -12.9371 -11.2371 -11.2370 -9.0851 -9.0839 -9.0665 -9.0637 -8.9030 -8.8982 -3.4950 -3.4935 -2.6873 -2.6831 -2.2182 -2.2138 -0.9431 -0.9376 -0.3574 -0.3534 0.0143 0.0147 0.4198 0.4203 0.6034 0.6044 2.0059 2.0066 2.5854 2.5872 2.6989 2.7000 2.7248 2.7265 3.2759 3.2777 3.7087 3.7090 3.7262 3.7270 4.4610 4.4610 4.8631 4.8645 5.2621 5.2623 11.5432 11.5501 11.6949 11.6959 12.5365 12.5365 13.1256 13.1271 13.4258 13.4262 k =-0.2778 0.1715 0.0000 ( 4282 PWs) bands (ev): -13.3403 -13.3402 -12.9382 -12.9378 -11.2723 -11.2721 -9.0835 -9.0824 -9.0638 -9.0610 -8.9038 -8.8990 -3.5062 -3.5047 -2.6164 -2.6121 -2.1757 -2.1711 -0.9536 -0.9479 -0.3863 -0.3818 -0.0184 -0.0182 0.4437 0.4445 0.5837 0.5845 2.0428 2.0436 2.5848 2.5862 2.6595 2.6601 2.7141 2.7160 3.2490 3.2510 3.6943 3.6946 3.7144 3.7152 4.4679 4.4680 4.8731 4.8745 5.2469 5.2471 11.5526 11.5595 11.7716 11.7726 12.5245 12.5246 13.1418 13.1432 13.4080 13.4083 k =-0.2917 0.1801 0.0000 ( 4284 PWs) bands (ev): -13.3223 -13.3223 -12.9390 -12.9386 -11.3071 -11.3070 -9.0820 -9.0810 -9.0608 -9.0579 -8.9051 -8.9002 -3.5162 -3.5147 -2.5443 -2.5397 -2.1340 -2.1292 -0.9638 -0.9577 -0.4149 -0.4100 -0.0510 -0.0509 0.4484 0.4497 0.5817 0.5820 2.0803 2.0812 2.5430 2.5433 2.6625 2.6631 2.7036 2.7057 3.2211 3.2232 3.6763 3.6767 3.7057 3.7065 4.4745 4.4746 4.8822 4.8836 5.2322 5.2324 11.5659 11.5728 11.8482 11.8493 12.5103 12.5106 13.1569 13.1581 13.3902 13.3904 k =-0.3056 0.1887 0.0000 ( 4268 PWs) bands (ev): -13.3043 -13.3042 -12.9397 -12.9393 -11.3415 -11.3414 -9.0807 -9.0797 -9.0574 -9.0543 -8.9069 -8.9019 -3.5251 -3.5237 -2.4712 -2.4664 -2.0931 -2.0882 -0.9735 -0.9672 -0.4430 -0.4377 -0.0835 -0.0831 0.4298 0.4314 0.6013 0.6013 2.1181 2.1192 2.4867 2.4867 2.6807 2.6816 2.6936 2.6957 3.1924 3.1947 3.6566 3.6571 3.6984 3.6991 4.4806 4.4808 4.8903 4.8917 5.2180 5.2183 11.5829 11.5897 11.9244 11.9255 12.4941 12.4945 13.1709 13.1718 13.3726 13.3727 k =-0.3194 0.1973 0.0000 ( 4278 PWs) bands (ev): -13.2862 -13.2862 -12.9404 -12.9400 -11.3752 -11.3750 -9.0795 -9.0786 -9.0536 -9.0504 -8.9091 -8.9041 -3.5330 -3.5316 -2.3977 -2.3927 -2.0533 -2.0483 -0.9828 -0.9762 -0.4704 -0.4647 -0.1155 -0.1148 0.3973 0.3991 0.6328 0.6328 2.1560 2.1573 2.4294 2.4296 2.6832 2.6859 2.7015 2.7030 3.1633 3.1658 3.6360 3.6367 3.6916 3.6923 4.4863 4.4865 4.8975 4.8989 5.2046 5.2048 11.6033 11.6100 11.9996 12.0007 12.4760 12.4766 13.1835 13.1843 13.3554 13.3554 k =-0.3333 0.2058 0.0000 ( 4278 PWs) bands (ev): -13.2684 -13.2683 -12.9410 -12.9407 -11.4078 -11.4077 -9.0784 -9.0776 -9.0494 -9.0461 -8.9117 -8.9068 -3.5398 -3.5385 -2.3241 -2.3189 -2.0147 -2.0097 -0.9916 -0.9847 -0.4969 -0.4909 -0.1467 -0.1458 0.3582 0.3600 0.6689 0.6689 2.1939 2.1953 2.3740 2.3742 2.6737 2.6765 2.7220 2.7237 3.1342 3.1368 3.6150 3.6157 3.6854 3.6860 4.4914 4.4917 4.9039 4.9053 5.1919 5.1921 11.6269 11.6335 12.0733 12.0745 12.4561 12.4567 13.1949 13.1954 13.3388 13.3388 k =-0.3472 0.2144 0.0000 ( 4268 PWs) bands (ev): -13.2510 -13.2509 -12.9416 -12.9413 -11.4392 -11.4391 -9.0774 -9.0767 -9.0449 -9.0415 -8.9148 -8.9099 -3.5457 -3.5444 -2.2511 -2.2457 -1.9776 -1.9726 -0.9997 -0.9925 -0.5222 -0.5159 -0.1770 -0.1758 0.3155 0.3174 0.7065 0.7065 2.2313 2.2330 2.3215 2.3217 2.6644 2.6673 2.7415 2.7434 3.1055 3.1082 3.5938 3.5945 3.6794 3.6801 4.4960 4.4963 4.9096 4.9109 5.1800 5.1803 11.6535 11.6600 12.1451 12.1463 12.4343 12.4351 13.2050 13.2053 13.3230 13.3231 k =-0.3611 0.2230 0.0000 ( 4268 PWs) bands (ev): -13.2341 -13.2340 -12.9422 -12.9419 -11.4692 -11.4691 -9.0766 -9.0759 -9.0400 -9.0366 -8.9183 -8.9134 -3.5508 -3.5496 -2.1792 -2.1737 -1.9423 -1.9373 -1.0072 -0.9998 -0.5462 -0.5397 -0.2060 -0.2046 0.2708 0.2727 0.7441 0.7441 2.2681 2.2699 2.2725 2.2726 2.6553 2.6585 2.7595 2.7615 3.0778 3.0807 3.5726 3.5733 3.6739 3.6745 4.5001 4.5004 4.9145 4.9158 5.1691 5.1693 11.6828 11.6890 12.2143 12.2155 12.4107 12.4117 13.2139 13.2139 13.3084 13.3084 k =-0.3750 0.2316 0.0000 ( 4266 PWs) bands (ev): -13.2179 -13.2178 -12.9428 -12.9425 -11.4973 -11.4972 -9.0758 -9.0752 -9.0349 -9.0315 -8.9222 -8.9173 -3.5551 -3.5540 -2.1091 -2.1035 -1.9089 -1.9040 -1.0139 -1.0064 -0.5685 -0.5620 -0.2336 -0.2320 0.2250 0.2270 0.7809 0.7809 2.2269 2.2271 2.3041 2.3063 2.6464 2.6499 2.7753 2.7775 3.0518 3.0548 3.5517 3.5525 3.6686 3.6692 4.5036 4.5039 4.9189 4.9201 5.1591 5.1593 11.7143 11.7204 12.2803 12.2815 12.3854 12.3866 13.2214 13.2216 13.2952 13.2952 k =-0.3889 0.2401 0.0000 ( 4254 PWs) bands (ev): -13.2027 -13.2026 -12.9433 -12.9430 -11.5235 -11.5234 -9.0752 -9.0746 -9.0296 -9.0261 -8.9264 -8.9216 -3.5586 -3.5576 -2.0417 -2.0361 -1.8777 -1.8731 -1.0199 -1.0123 -0.5891 -0.5826 -0.2594 -0.2576 0.1791 0.1812 0.8161 0.8161 2.1855 2.1857 2.3387 2.3412 2.6378 2.6414 2.7886 2.7910 3.0282 3.0313 3.5314 3.5322 3.6638 3.6643 4.5065 4.5068 4.9227 4.9238 5.1500 5.1502 11.7479 11.7537 12.3421 12.3436 12.3585 12.3602 13.2277 13.2281 13.2836 13.2837 k =-0.4028 0.2487 0.0000 ( 4262 PWs) bands (ev): -13.1886 -13.1886 -12.9437 -12.9435 -11.5473 -11.5472 -9.0746 -9.0742 -9.0241 -9.0205 -8.9309 -8.9262 -3.5616 -3.5607 -1.9780 -1.9724 -1.8491 -1.8447 -1.0250 -1.0175 -0.6076 -0.6014 -0.2831 -0.2812 0.1342 0.1362 0.8491 0.8491 2.1484 2.1486 2.3719 2.3746 2.6292 2.6331 2.7989 2.8013 3.0077 3.0109 3.5121 3.5128 3.6594 3.6599 4.5090 4.5093 4.9260 4.9270 5.1420 5.1422 11.7830 11.7885 12.3298 12.3313 12.4002 12.4012 13.2328 13.2335 13.2741 13.2743 k =-0.4167 0.2573 0.0000 ( 4268 PWs) bands (ev): -13.1759 -13.1758 -12.9441 -12.9439 -11.5686 -11.5685 -9.0742 -9.0738 -9.0185 -9.0149 -8.9356 -8.9310 -3.5640 -3.5632 -1.9188 -1.9135 -1.8233 -1.8193 -1.0293 -1.0220 -0.6240 -0.6181 -0.3044 -0.3026 0.0912 0.0932 0.8794 0.8794 2.1158 2.1160 2.4031 2.4061 2.6206 2.6247 2.8058 2.8082 2.9912 2.9942 3.4940 3.4948 3.6554 3.6558 4.5110 4.5113 4.9287 4.9296 5.1350 5.1352 11.8193 11.8245 12.2998 12.3015 12.4523 12.4533 13.2367 13.2377 13.2668 13.2672 k =-0.4306 0.2659 0.0000 ( 4272 PWs) bands (ev): -13.1647 -13.1647 -12.9444 -12.9443 -11.5871 -11.5870 -9.0738 -9.0734 -9.0128 -9.0092 -8.9404 -8.9360 -3.5659 -3.5652 -1.8655 -1.8605 -1.8007 -1.7972 -1.0326 -1.0258 -0.6381 -0.6328 -0.3230 -0.3213 0.0515 0.0533 0.9062 0.9062 2.0878 2.0880 2.4321 2.4354 2.6119 2.6161 2.8093 2.8115 2.9789 2.9817 3.4778 3.4784 3.6519 3.6523 4.5126 4.5128 4.9310 4.9318 5.1291 5.1292 11.8562 11.8612 12.2687 12.2706 12.4982 12.4992 13.2394 13.2406 13.2619 13.2625 k =-0.4444 0.2745 0.0000 ( 4274 PWs) bands (ev): -13.1553 -13.1552 -12.9447 -12.9446 -11.6026 -11.6025 -9.0735 -9.0732 -9.0072 -9.0038 -8.9452 -8.9411 -3.5673 -3.5668 -1.8192 -1.8148 -1.7816 -1.7787 -1.0350 -1.0290 -0.6497 -0.6451 -0.3387 -0.3372 0.0163 0.0179 0.9292 0.9292 2.0647 2.0648 2.4586 2.4621 2.6029 2.6072 2.8098 2.8118 2.9709 2.9732 3.4637 3.4642 3.6490 3.6493 4.5139 4.5140 4.9329 4.9335 5.1242 5.1243 11.8932 11.8977 12.2368 12.2389 12.5371 12.5380 13.2410 13.2422 13.2595 13.2602 k =-0.4583 0.2830 0.0000 ( 4280 PWs) bands (ev): -13.1477 -13.1477 -12.9449 -12.9448 -11.6148 -11.6148 -9.0732 -9.0730 -9.0019 -8.9987 -8.9497 -8.9461 -3.5684 -3.5680 -1.7813 -1.7776 -1.7663 -1.7640 -1.0366 -1.0316 -0.6586 -0.6551 -0.3511 -0.3499 -0.0129 -0.0116 0.9476 0.9476 2.0465 2.0466 2.4821 2.4858 2.5937 2.5979 2.8085 2.8100 2.9662 2.9680 3.4522 3.4526 3.6467 3.6470 4.5148 4.5149 4.9344 4.9348 5.1204 5.1205 11.9292 11.9332 12.2051 12.2073 12.5683 12.5689 13.2419 13.2429 13.2588 13.2595 k =-0.4722 0.2916 0.0000 ( 4290 PWs) bands (ev): -13.1422 -13.1422 -12.9451 -12.9450 -11.6237 -11.6237 -9.0730 -9.0729 -8.9971 -8.9945 -8.9535 -8.9506 -3.5691 -3.5689 -1.7550 -1.7535 -1.7528 -1.7503 -1.0373 -1.0338 -0.6649 -0.6624 -0.3601 -0.3593 -0.0348 -0.0339 0.9612 0.9612 2.0334 2.0334 2.5022 2.5057 2.5845 2.5884 2.8065 2.8075 2.9639 2.9651 3.4436 3.4440 3.6451 3.6452 4.5154 4.5155 4.9354 4.9357 5.1177 5.1178 11.9623 11.9656 12.1754 12.1775 12.5910 12.5915 13.2425 13.2432 13.2591 13.2595 k =-0.4861 0.3002 0.0000 ( 4288 PWs) bands (ev): -13.1389 -13.1389 -12.9451 -12.9451 -11.6291 -11.6291 -9.0729 -9.0729 -8.9933 -8.9918 -8.9559 -8.9542 -3.5695 -3.5694 -1.7480 -1.7472 -1.7351 -1.7337 -1.0372 -1.0354 -0.6685 -0.6672 -0.3655 -0.3650 -0.0484 -0.0479 0.9695 0.9695 2.0255 2.0255 2.5175 2.5200 2.5768 2.5795 2.8049 2.8054 2.9631 2.9637 3.4384 3.4386 3.6441 3.6442 4.5158 4.5158 4.9361 4.9362 5.1161 5.1161 11.9886 11.9907 12.1519 12.1534 12.6049 12.6051 13.2430 13.2434 13.2595 13.2598 k =-0.5000 0.3088 0.0000 ( 4294 PWs) bands (ev): -13.1377 -13.1377 -12.9452 -12.9452 -11.6309 -11.6309 -9.0729 -9.0729 -8.9914 -8.9914 -8.9562 -8.9562 -3.5696 -3.5696 -1.7454 -1.7454 -1.7286 -1.7286 -1.0366 -1.0366 -0.6692 -0.6692 -0.3671 -0.3671 -0.0528 -0.0528 0.9723 0.9723 2.0228 2.0228 2.5247 2.5247 2.5743 2.5743 2.8044 2.8044 2.9631 2.9631 3.4367 3.4367 3.6438 3.6438 4.5159 4.5159 4.9363 4.9363 5.1156 5.1156 12.0002 12.0002 12.1427 12.1427 12.6096 12.6096 13.2433 13.2433 13.2598 13.2598 k =-0.5000 0.3088 0.0000 ( 4294 PWs) bands (ev): -13.1377 -13.1377 -12.9452 -12.9452 -11.6309 -11.6309 -9.0729 -9.0729 -8.9914 -8.9914 -8.9562 -8.9562 -3.5696 -3.5696 -1.7454 -1.7454 -1.7286 -1.7286 -1.0366 -1.0366 -0.6692 -0.6692 -0.3671 -0.3671 -0.0528 -0.0528 0.9723 0.9723 2.0228 2.0228 2.5247 2.5247 2.5743 2.5743 2.8044 2.8044 2.9631 2.9631 3.4367 3.4367 3.6438 3.6438 4.5159 4.5159 4.9363 4.9363 5.1156 5.1156 12.0002 12.0002 12.1427 12.1427 12.6096 12.6096 13.2433 13.2433 13.2598 13.2598 k =-0.4914 0.3227-0.0000 ( 4286 PWs) bands (ev): -13.1379 -13.1379 -12.9452 -12.9452 -11.6300 -11.6299 -9.0879 -9.0846 -8.9910 -8.9906 -8.9461 -8.9425 -3.5692 -3.5691 -1.7726 -1.7719 -1.6974 -1.6973 -1.0375 -1.0374 -0.6708 -0.6705 -0.3840 -0.3793 -0.0415 -0.0366 0.9723 0.9726 2.0229 2.0231 2.5246 2.5262 2.5720 2.5731 2.8039 2.8057 2.9611 2.9625 3.4374 3.4377 3.6435 3.6437 4.5169 4.5174 4.9324 4.9332 5.1149 5.1159 12.0011 12.0017 12.1438 12.1438 12.6138 12.6146 13.1855 13.2018 13.3040 13.3203 k =-0.4828 0.3366-0.0000 ( 4278 PWs) bands (ev): -13.1385 -13.1384 -12.9454 -12.9454 -11.6271 -11.6270 -9.1194 -9.1149 -8.9894 -8.9887 -8.9206 -8.9152 -3.5678 -3.5676 -1.8023 -1.8012 -1.6552 -1.6547 -1.0401 -1.0400 -0.6751 -0.6746 -0.4232 -0.4157 -0.0075 0.0006 0.9726 0.9733 2.0233 2.0236 2.5257 2.5289 2.5661 2.5684 2.8042 2.8078 2.9567 2.9594 3.4397 3.4404 3.6427 3.6431 4.5201 4.5211 4.9216 4.9232 5.1139 5.1156 12.0046 12.0058 12.1470 12.1471 12.6270 12.6287 13.1304 13.1468 13.3673 13.3835 k =-0.4742 0.3505-0.0000 ( 4280 PWs) bands (ev): -13.1393 -13.1393 -12.9457 -12.9457 -11.6222 -11.6222 -9.1579 -9.1531 -8.9868 -8.9858 -8.8901 -8.8840 -3.5655 -3.5652 -1.8278 -1.8263 -1.6087 -1.6078 -1.0444 -1.0444 -0.6823 -0.6815 -0.4754 -0.4663 0.0395 0.0493 0.9731 0.9741 2.0241 2.0245 2.5280 2.5328 2.5566 2.5600 2.8054 2.8107 2.9498 2.9538 3.4437 3.4447 3.6415 3.6421 4.5256 4.5272 4.9045 4.9068 5.1120 5.1144 12.0107 12.0123 12.1523 12.1525 12.6490 12.6515 13.0784 13.0947 13.4330 13.4490 k =-0.4656 0.3644-0.0000 ( 4288 PWs) bands (ev): -13.1406 -13.1406 -12.9461 -12.9461 -11.6155 -11.6154 -9.1998 -9.1949 -8.9831 -8.9818 -8.8589 -8.8524 -3.5623 -3.5619 -1.8488 -1.8469 -1.5582 -1.5569 -1.0505 -1.0504 -0.6921 -0.6910 -0.5344 -0.5246 0.0926 0.1034 0.9738 0.9751 2.0253 2.0258 2.5312 2.5376 2.5437 2.5480 2.8075 2.8144 2.9406 2.9458 3.4493 3.4507 3.6399 3.6407 4.5334 4.5355 4.8820 4.8848 5.1088 5.1117 12.0195 12.0215 12.1598 12.1600 12.6795 12.6826 13.0294 13.0457 13.5010 13.5168 k =-0.4570 0.3783-0.0000 ( 4294 PWs) bands (ev): -13.1422 -13.1422 -12.9466 -12.9466 -11.6068 -11.6067 -9.2436 -9.2389 -8.9783 -8.9767 -8.8285 -8.8216 -3.5582 -3.5577 -1.8652 -1.8630 -1.5039 -1.5022 -1.0582 -1.0581 -0.7045 -0.7031 -0.5972 -0.5871 0.1486 0.1600 0.9744 0.9761 2.0269 2.0276 2.5258 2.5317 2.5367 2.5439 2.8108 2.8192 2.9291 2.9356 3.4564 3.4583 3.6379 3.6389 4.5434 4.5459 4.8548 4.8578 5.1039 5.1071 12.0312 12.0334 12.1693 12.1695 12.7181 12.7215 12.9836 12.9999 13.5710 13.5866 k =-0.4484 0.3922-0.0000 ( 4290 PWs) bands (ev): -13.1443 -13.1442 -12.9472 -12.9472 -11.5962 -11.5961 -9.2889 -9.2843 -8.9724 -8.9706 -8.7995 -8.7923 -3.5532 -3.5527 -1.8770 -1.8744 -1.4460 -1.4440 -1.0677 -1.0676 -0.7194 -0.7176 -0.6620 -0.6520 0.2056 0.2173 0.9749 0.9769 2.0292 2.0300 2.5056 2.5123 2.5416 2.5501 2.8153 2.8250 2.9155 2.9232 3.4652 3.4675 3.6355 3.6368 4.5556 4.5586 4.8234 4.8267 5.0970 5.1005 12.0458 12.0481 12.1809 12.1811 12.7640 12.7674 12.9414 12.9578 13.6428 13.6580 k =-0.4399 0.4062-0.0000 ( 4294 PWs) bands (ev): -13.1467 -13.1466 -12.9479 -12.9479 -11.5837 -11.5836 -9.3352 -9.3308 -8.9655 -8.9634 -8.7722 -8.7648 -3.5475 -3.5469 -1.8841 -1.8812 -1.3849 -1.3823 -1.0788 -1.0786 -0.7379 -0.7344 -0.7267 -0.7180 0.2627 0.2746 0.9750 0.9773 2.0323 2.0331 2.4814 2.4889 2.5474 2.5568 2.8213 2.8321 2.9001 2.9088 3.4755 3.4783 3.6327 3.6344 4.5698 4.5732 4.7886 4.7920 5.0879 5.0916 12.0632 12.0655 12.1943 12.1947 12.8158 12.8181 12.9035 12.9209 13.7159 13.7308 k =-0.4313 0.4201-0.0000 ( 4280 PWs) bands (ev): -13.1495 -13.1494 -12.9486 -12.9486 -11.5692 -11.5692 -9.3822 -9.3780 -8.9576 -8.9552 -8.7469 -8.7392 -3.5410 -3.5403 -1.8867 -1.8834 -1.3206 -1.3176 -1.0915 -1.0913 -0.7954 -0.7847 -0.7549 -0.7532 0.3192 0.3313 0.9746 0.9772 2.0361 2.0370 2.4532 2.4615 2.5536 2.5637 2.8289 2.8405 2.8829 2.8926 3.4874 3.4907 3.6297 3.6317 4.5859 4.5898 4.7509 4.7543 5.0768 5.0805 12.0835 12.0855 12.2097 12.2101 12.8543 12.8563 12.8890 12.9065 13.7382 13.7396 k =-0.4227 0.4340-0.0000 ( 4278 PWs) bands (ev): -13.1528 -13.1527 -12.9493 -12.9493 -11.5529 -11.5528 -9.4298 -9.4258 -8.9487 -8.9460 -8.7236 -8.7158 -3.5339 -3.5331 -1.8847 -1.8811 -1.2536 -1.2502 -1.1057 -1.1056 -0.8616 -0.8512 -0.7761 -0.7740 0.3749 0.3871 0.9734 0.9762 2.0409 2.0418 2.4213 2.4303 2.5601 2.5706 2.8380 2.8503 2.8642 2.8748 3.5006 3.5046 3.6264 3.6289 4.6039 4.6082 4.7107 4.7141 5.0635 5.0673 12.1065 12.1081 12.2269 12.2273 12.8302 12.8394 12.9466 12.9564 13.6939 13.6954 k =-0.4141 0.4479-0.0000 ( 4270 PWs) bands (ev): -13.1565 -13.1564 -12.9500 -12.9500 -11.5347 -11.5346 -9.4778 -9.4739 -8.9388 -8.9358 -8.7026 -8.6945 -3.5261 -3.5253 -1.8784 -1.8745 -1.1850 -1.1807 -1.1214 -1.1213 -0.9267 -0.9167 -0.7990 -0.7965 0.4294 0.4417 0.9711 0.9742 2.0468 2.0477 2.3855 2.3951 2.5666 2.5772 2.8429 2.8502 2.8553 2.8617 3.5152 3.5201 3.6230 3.6260 4.6236 4.6284 4.6685 4.6719 5.0483 5.0521 12.1317 12.1327 12.2457 12.2461 12.8030 12.8129 13.0166 13.0251 13.6455 13.6471 k =-0.4055 0.4618-0.0000 ( 4276 PWs) bands (ev): -13.1607 -13.1606 -12.9508 -12.9507 -11.5146 -11.5145 -9.5259 -9.5222 -8.9280 -8.9247 -8.6837 -8.6755 -3.5179 -3.5169 -1.8678 -1.8637 -1.1398 -1.1387 -1.1166 -1.1121 -0.9869 -0.9779 -0.8233 -0.8205 0.4826 0.4950 0.9675 0.9708 2.0539 2.0548 2.3459 2.3560 2.5731 2.5834 2.8223 2.8347 2.8623 2.8743 3.5310 3.5370 3.6193 3.6232 4.6247 4.6277 4.6453 4.6501 5.0313 5.0351 12.1589 12.1591 12.2660 12.2665 12.7797 12.7891 13.0920 13.1001 13.5950 13.5966 k =-0.3969 0.4757-0.0000 ( 4284 PWs) bands (ev): -13.1654 -13.1653 -12.9515 -12.9514 -11.4926 -11.4925 -9.5741 -9.5706 -8.9163 -8.9127 -8.6670 -8.6587 -3.5092 -3.5082 -1.8534 -1.8490 -1.1577 -1.1570 -1.0890 -1.0790 -1.0049 -1.0005 -0.8491 -0.8460 0.5344 0.5469 0.9625 0.9660 2.0623 2.0632 2.3027 2.3132 2.5794 2.5892 2.7999 2.8129 2.8768 2.8884 3.5477 3.5554 3.6156 3.6209 4.5798 4.5830 4.6680 4.6733 5.0128 5.0165 12.1864 12.1872 12.2876 12.2882 12.7612 12.7696 13.1718 13.1797 13.5431 13.5447 k =-0.3883 0.4897-0.0000 ( 4280 PWs) bands (ev): -13.1705 -13.1704 -12.9521 -12.9521 -11.4688 -11.4687 -9.6223 -9.6190 -8.9038 -8.8999 -8.6526 -8.6442 -3.5002 -3.4992 -1.8355 -1.8309 -1.1775 -1.1767 -1.1370 -1.1264 -0.9428 -0.9388 -0.8760 -0.8726 0.5848 0.5973 0.9557 0.9594 2.0721 2.0729 2.2559 2.2667 2.5855 2.5946 2.7766 2.7901 2.8929 2.9039 3.5644 3.5751 3.6120 3.6200 4.5341 4.5372 4.6921 4.6978 4.9929 4.9965 12.2137 12.2158 12.3105 12.3111 12.7485 12.7555 13.2552 13.2631 13.4903 13.4919 k =-0.3797 0.5036-0.0000 ( 4284 PWs) bands (ev): -13.1762 -13.1761 -12.9526 -12.9526 -11.4432 -11.4430 -9.6703 -9.6671 -8.8904 -8.8862 -8.6404 -8.6319 -3.4911 -3.4899 -1.8147 -1.8100 -1.2008 -1.1975 -1.1938 -1.1857 -0.9044 -0.9004 -0.8652 -0.8610 0.6337 0.6462 0.9470 0.9508 2.0834 2.0842 2.2057 2.2167 2.5915 2.5996 2.7525 2.7664 2.9104 2.9206 3.5791 3.5953 3.6093 3.6225 4.4880 4.4909 4.7175 4.7235 4.9718 4.9753 12.2400 12.2436 12.3342 12.3350 12.7426 12.7479 13.3418 13.3497 13.4369 13.4385 k =-0.3711 0.5175-0.0000 ( 4292 PWs) bands (ev): -13.1823 -13.1822 -12.9531 -12.9531 -11.4157 -11.4155 -9.7179 -9.7150 -8.8763 -8.8719 -8.6304 -8.6218 -3.4818 -3.4807 -1.7921 -1.7873 -1.2552 -1.2441 -1.2195 -1.2192 -0.9332 -0.9290 -0.7841 -0.7794 0.6811 0.6936 0.9362 0.9401 2.0963 2.0971 2.1523 2.1634 2.5973 2.6044 2.7278 2.7420 2.9290 2.9382 3.5879 3.6027 3.6209 3.6323 4.4417 4.4444 4.7440 4.7502 4.9498 4.9532 12.2640 12.2692 12.3586 12.3594 12.7446 12.7479 13.3829 13.3843 13.4312 13.4390 k =-0.3625 0.5314-0.0000 ( 4294 PWs) bands (ev): -13.1890 -13.1889 -12.9535 -12.9535 -11.3864 -11.3862 -9.7652 -9.7624 -8.8616 -8.8568 -8.6225 -8.6139 -3.4727 -3.4715 -1.7692 -1.7645 -1.3096 -1.2986 -1.2423 -1.2417 -0.9629 -0.9585 -0.7005 -0.6954 0.7271 0.7395 0.9231 0.9271 2.0959 2.1056 2.1117 2.1125 2.6031 2.6090 2.7024 2.7168 2.9485 2.9566 3.5904 3.5999 3.6443 3.6499 4.3955 4.3981 4.7714 4.7778 4.9271 4.9304 12.2844 12.2914 12.3833 12.3842 12.7555 12.7568 13.3286 13.3300 13.5225 13.5303 k =-0.3539 0.5453-0.0000 ( 4289 PWs) bands (ev): -13.1961 -13.1960 -12.9538 -12.9538 -11.3553 -11.3551 -9.8120 -9.8093 -8.8462 -8.8411 -8.6167 -8.6080 -3.4638 -3.4625 -1.7490 -1.7442 -1.3573 -1.3463 -1.2657 -1.2650 -0.9932 -0.9885 -0.6151 -0.6096 0.7717 0.7841 0.9076 0.9117 2.0369 2.0478 2.1276 2.1281 2.6088 2.6136 2.6765 2.6911 2.9686 2.9755 3.5899 3.5967 3.6696 3.6723 4.3498 4.3522 4.7996 4.8062 4.9039 4.9071 12.3003 12.3090 12.4079 12.4089 12.7753 12.7760 13.2742 13.2755 13.6155 13.6234 k =-0.3453 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.2038 -13.2036 -12.9540 -12.9539 -11.3225 -11.3222 -9.8581 -9.8556 -8.8302 -8.8249 -8.6128 -8.6041 -3.4553 -3.4539 -1.7357 -1.7311 -1.3936 -1.3826 -1.2896 -1.2888 -1.0240 -1.0189 -0.5283 -0.5224 0.8150 0.8274 0.8897 0.8938 1.9754 1.9863 2.1458 2.1463 2.6146 2.6182 2.6501 2.6649 2.9890 2.9947 3.5882 3.5939 3.6963 3.6973 4.3046 4.3068 4.8284 4.8352 4.8804 4.8835 12.3117 12.3217 12.4319 12.4331 12.8035 12.8060 13.2200 13.2210 13.7096 13.7176 k =-0.3453 0.5592-0.0000 ( 4289 PWs) bands (ev): -13.2038 -13.2036 -12.9540 -12.9539 -11.3225 -11.3222 -9.8581 -9.8556 -8.8302 -8.8249 -8.6128 -8.6041 -3.4553 -3.4539 -1.7357 -1.7311 -1.3936 -1.3826 -1.2896 -1.2888 -1.0240 -1.0189 -0.5283 -0.5224 0.8150 0.8274 0.8897 0.8938 1.9754 1.9863 2.1458 2.1463 2.6146 2.6182 2.6501 2.6649 2.9890 2.9947 3.5882 3.5939 3.6963 3.6973 4.3046 4.3068 4.8284 4.8352 4.8804 4.8835 12.3117 12.3217 12.4319 12.4331 12.8035 12.8060 13.2200 13.2210 13.7096 13.7176 k =-0.3453 0.5592 0.0163 ( 4291 PWs) bands (ev): -13.2036 -13.2035 -12.9540 -12.9540 -11.3215 -11.3213 -9.8576 -9.8551 -8.8326 -8.8273 -8.6137 -8.6050 -3.4527 -3.4514 -1.7466 -1.7418 -1.3801 -1.3692 -1.2898 -1.2890 -1.0229 -1.0178 -0.5322 -0.5263 0.8171 0.8294 0.8903 0.8943 1.9734 1.9841 2.1453 2.1458 2.6144 2.6179 2.6495 2.6641 2.9909 2.9966 3.5874 3.5930 3.6977 3.6987 4.3044 4.3066 4.8281 4.8349 4.8797 4.8828 12.3079 12.3179 12.4305 12.4317 12.8052 12.8075 13.2153 13.2163 13.7156 13.7236 k =-0.3453 0.5592 0.0326 ( 4292 PWs) bands (ev): -13.2030 -13.2029 -12.9543 -12.9543 -11.3186 -11.3183 -9.8560 -9.8535 -8.8396 -8.8344 -8.6165 -8.6078 -3.4450 -3.4437 -1.7750 -1.7699 -1.3439 -1.3331 -1.2904 -1.2897 -1.0196 -1.0145 -0.5436 -0.5379 0.8232 0.8353 0.8920 0.8961 1.9673 1.9778 2.1437 2.1442 2.6138 2.6172 2.6475 2.6619 2.9966 3.0022 3.5849 3.5904 3.7017 3.7027 4.3039 4.3061 4.8273 4.8341 4.8777 4.8807 12.2972 12.3070 12.4263 12.4275 12.8101 12.8120 13.2010 13.2020 13.7333 13.7410 k =-0.3453 0.5592 0.0489 ( 4292 PWs) bands (ev): -13.2021 -13.2020 -12.9548 -12.9548 -11.3138 -11.3135 -9.8534 -9.8509 -8.8513 -8.8461 -8.6211 -8.6124 -3.4321 -3.4309 -1.8133 -1.8081 -1.2951 -1.2910 -1.2888 -1.2818 -1.0139 -1.0088 -0.5623 -0.5569 0.8331 0.8448 0.8949 0.8991 1.9573 1.9674 2.1412 2.1417 2.6130 2.6161 2.6442 2.6581 3.0059 3.0113 3.5812 3.5865 3.7081 3.7090 4.3030 4.3052 4.8259 4.8327 4.8743 4.8773 12.2803 12.2899 12.4195 12.4206 12.8178 12.8192 13.1774 13.1783 13.7617 13.7691 k =-0.3453 0.5592 0.0652 ( 4305 PWs) bands (ev): -13.2008 -13.2007 -12.9555 -12.9554 -11.3070 -11.3067 -9.8497 -9.8472 -8.8675 -8.8624 -8.6274 -8.6188 -3.4144 -3.4132 -1.8561 -1.8507 -1.2940 -1.2930 -1.2308 -1.2208 -1.0056 -1.0005 -0.5878 -0.5827 0.8460 0.8573 0.8990 0.9032 1.9434 1.9530 2.1376 2.1381 2.6124 2.6151 2.6394 2.6526 3.0185 3.0236 3.5764 3.5816 3.7165 3.7173 4.3018 4.3040 4.8240 4.8307 4.8695 4.8725 12.2588 12.2682 12.4101 12.4113 12.8278 12.8285 13.1447 13.1455 13.7994 13.8062 k =-0.3453 0.5592 0.0815 ( 4298 PWs) bands (ev): -13.1991 -13.1990 -12.9563 -12.9563 -11.2983 -11.2980 -9.8450 -9.8425 -8.8882 -8.8831 -8.6355 -8.6271 -3.3919 -3.3908 -1.8999 -1.8946 -1.2968 -1.2959 -1.1635 -1.1535 -0.9946 -0.9896 -0.6193 -0.6146 0.8615 0.8722 0.9043 0.9085 1.9259 1.9348 2.1330 2.1335 2.6121 2.6143 2.6330 2.6453 3.0340 3.0388 3.5711 3.5762 3.7263 3.7272 4.3003 4.3025 4.8214 4.8281 4.8633 4.8663 12.2342 12.2435 12.3985 12.3997 12.8397 12.8397 13.1036 13.1043 13.8022 13.8034 k =-0.3453 0.5592 0.0979 ( 4296 PWs) bands (ev): -13.1971 -13.1970 -12.9573 -12.9573 -11.2876 -11.2874 -9.8392 -9.8368 -8.9130 -8.9081 -8.6454 -8.6371 -3.3648 -3.3639 -1.9432 -1.9379 -1.3009 -1.3000 -1.0918 -1.0818 -0.9807 -0.9756 -0.6561 -0.6518 0.8788 0.8889 0.9107 0.9150 1.9049 1.9130 2.1275 2.1280 2.6124 2.6142 2.6249 2.6362 3.0520 3.0566 3.5653 3.5703 3.7375 3.7384 4.2986 4.3006 4.8182 4.8248 4.8558 4.8587 12.2081 12.2172 12.3848 12.3860 12.8525 12.8531 13.0553 13.0559 13.7894 13.7905 k =-0.3453 0.5592 0.1142 ( 4297 PWs) bands (ev): -13.1948 -13.1946 -12.9586 -12.9586 -11.2751 -11.2748 -9.8323 -9.8300 -8.9419 -8.9370 -8.6570 -8.6488 -3.3335 -3.3327 -1.9849 -1.9798 -1.3063 -1.3055 -1.0171 -1.0070 -0.9634 -0.9585 -0.6973 -0.6935 0.8972 0.9065 0.9184 0.9227 1.8806 1.8879 2.1212 2.1217 2.6126 2.6135 2.6171 2.6252 3.0721 3.0765 3.5593 3.5642 3.7497 3.7507 4.2965 4.2986 4.8142 4.8207 4.8469 4.8498 12.1816 12.1907 12.3692 12.3704 12.8666 12.8679 13.0017 13.0021 13.7780 13.7790 k =-0.3453 0.5592 0.1305 ( 4299 PWs) bands (ev): -13.1921 -13.1919 -12.9600 -12.9600 -11.2606 -11.2604 -9.8244 -9.8221 -8.9746 -8.9698 -8.6702 -8.6622 -3.2982 -3.2975 -2.0245 -2.0195 -1.3132 -1.3124 -0.9454 -0.9382 -0.9379 -0.9302 -0.7418 -0.7384 0.9160 0.9239 0.9280 0.9317 1.8532 1.8597 2.1141 2.1147 2.6015 2.6101 2.6176 2.6179 3.0941 3.0982 3.5532 3.5580 3.7627 3.7639 4.2943 4.2963 4.8094 4.8158 4.8367 4.8395 12.1561 12.1652 12.3518 12.3530 12.8818 12.8838 12.9445 12.9447 13.7674 13.7683 k =-0.3453 0.5592 0.1468 ( 4303 PWs) bands (ev): -13.1890 -13.1889 -12.9616 -12.9616 -11.2442 -11.2440 -9.8155 -9.8133 -9.0108 -9.0062 -8.6850 -8.6772 -3.2592 -3.2586 -2.0615 -2.0567 -1.3217 -1.3210 -0.9195 -0.9143 -0.8653 -0.8562 -0.7854 -0.7818 0.9343 0.9363 0.9421 0.9436 1.8231 1.8286 2.1065 2.1071 2.5869 2.5949 2.6205 2.6209 3.1176 3.1214 3.5470 3.5518 3.7765 3.7778 4.2919 4.2938 4.8038 4.8101 4.8251 4.8279 12.1325 12.1416 12.3326 12.3338 12.8856 12.8857 12.8984 12.9011 13.7571 13.7579 k =-0.3453 0.5592 0.1631 ( 4303 PWs) bands (ev): -13.1857 -13.1856 -12.9634 -12.9634 -11.2259 -11.2258 -9.8055 -9.8034 -9.0504 -9.0459 -8.7014 -8.6937 -3.2169 -3.2165 -2.0957 -2.0911 -1.3320 -1.3313 -0.8921 -0.8870 -0.8537 -0.8504 -0.7671 -0.7580 0.9476 0.9505 0.9553 0.9608 1.7903 1.7949 2.0986 2.0992 2.5697 2.5766 2.6250 2.6252 3.1422 3.1459 3.5408 3.5455 3.7909 3.7924 4.2894 4.2913 4.7973 4.8033 4.8123 4.8150 12.1116 12.1208 12.3113 12.3126 12.8275 12.8277 12.9157 12.9189 13.7463 13.7469 k =-0.3453 0.5592 0.1794 ( 4305 PWs) bands (ev): -13.1820 -13.1819 -12.9655 -12.9655 -11.2058 -11.2057 -9.7945 -9.7924 -9.0930 -9.0886 -8.7193 -8.7118 -3.1716 -3.1714 -2.1270 -2.1226 -1.3439 -1.3432 -0.9031 -0.9006 -0.8607 -0.8560 -0.6890 -0.6793 0.9599 0.9640 0.9712 0.9771 1.7551 1.7589 2.0906 2.0913 2.5500 2.5556 2.6304 2.6306 3.1678 3.1713 3.5347 3.5394 3.8059 3.8077 4.2869 4.2887 4.7897 4.7954 4.7982 4.8011 12.0940 12.1033 12.2879 12.2892 12.7719 12.7723 12.9340 12.9377 13.7342 13.7348 k =-0.3453 0.5592 0.1957 ( 4306 PWs) bands (ev): -13.1781 -13.1780 -12.9677 -12.9677 -11.1838 -11.1837 -9.7825 -9.7805 -9.1384 -9.1341 -8.7385 -8.7313 -3.1237 -3.1236 -2.1553 -2.1511 -1.3576 -1.3570 -0.9575 -0.9555 -0.8262 -0.8215 -0.6063 -0.5965 0.9732 0.9777 0.9866 0.9920 1.7178 1.7206 2.0828 2.0837 2.5275 2.5319 2.6365 2.6370 3.1941 3.1974 3.5287 3.5333 3.8215 3.8235 4.2844 4.2862 4.7810 4.7830 4.7844 4.7880 12.0801 12.0895 12.2620 12.2633 12.7206 12.7212 12.9531 12.9573 13.7204 13.7208 k =-0.3453 0.5592 0.2120 ( 4308 PWs) bands (ev): -13.1739 -13.1738 -12.9701 -12.9701 -11.1599 -11.1599 -9.7694 -9.7675 -9.1862 -9.1822 -8.7591 -8.7521 -3.0737 -3.0735 -2.1804 -2.1764 -1.3730 -1.3724 -1.0140 -1.0123 -0.7880 -0.7835 -0.5223 -0.5125 0.9878 0.9923 1.0006 1.0053 1.6785 1.6804 2.0756 2.0766 2.5023 2.5054 2.6429 2.6438 3.2207 3.2239 3.5228 3.5274 3.8375 3.8398 4.2820 4.2838 4.7666 4.7685 4.7712 4.7774 12.0705 12.0800 12.2336 12.2347 12.6753 12.6760 12.9727 12.9775 13.7044 13.7047 k =-0.3453 0.5592 0.2283 ( 4311 PWs) bands (ev): -13.1694 -13.1693 -12.9727 -12.9727 -11.1342 -11.1342 -9.7553 -9.7535 -9.2364 -9.2325 -8.7810 -8.7742 -3.0217 -3.0214 -2.2024 -2.1986 -1.3902 -1.3896 -1.0715 -1.0702 -0.7463 -0.7420 -0.4379 -0.4281 1.0034 1.0076 1.0131 1.0167 1.6373 1.6384 2.0693 2.0704 2.4743 2.4761 2.6496 2.6506 3.2475 3.2505 3.5171 3.5216 3.8541 3.8566 4.2798 4.2816 4.7491 4.7510 4.7602 4.7661 12.0652 12.0749 12.2026 12.2036 12.6370 12.6377 12.9926 12.9979 13.6856 13.6858 k =-0.3453 0.5592 0.2446 ( 4305 PWs) bands (ev): -13.1647 -13.1645 -12.9755 -12.9755 -11.1067 -11.1067 -9.7403 -9.7386 -9.2885 -9.2848 -8.8040 -8.7975 -2.9683 -2.9678 -2.2211 -2.2176 -1.4090 -1.4084 -1.1298 -1.1287 -0.7011 -0.6970 -0.3536 -0.3438 1.0198 1.0208 1.0262 1.0268 1.5945 1.5948 2.0642 2.0655 2.4434 2.4440 2.6560 2.6573 3.2742 3.2770 3.5117 3.5161 3.8711 3.8739 4.2780 4.2797 4.7308 4.7326 4.7479 4.7537 12.0646 12.0744 12.1698 12.1705 12.6060 12.6068 13.0125 13.0183 13.6637 13.6638 k =-0.3453 0.5592 0.2609 ( 4303 PWs) bands (ev): -13.1597 -13.1596 -12.9785 -12.9785 -11.0775 -11.0774 -9.7242 -9.7226 -9.3424 -9.3388 -8.8282 -8.8219 -2.9135 -2.9130 -2.2366 -2.2334 -1.4295 -1.4290 -1.1883 -1.1875 -0.6525 -0.6487 -0.2696 -0.2598 1.0292 1.0324 1.0385 1.0440 1.5498 1.5502 2.0607 2.0622 2.4092 2.4098 2.6617 2.6632 3.3004 3.3031 3.5066 3.5109 3.8888 3.8917 4.2765 4.2781 4.7116 4.7132 4.7342 4.7399 12.0686 12.0785 12.1361 12.1365 12.5824 12.5831 13.0319 13.0382 13.6383 13.6384 k =-0.3453 0.5592 0.2773 ( 4301 PWs) bands (ev): -13.1545 -13.1544 -12.9818 -12.9817 -11.0464 -11.0463 -9.7071 -9.7057 -9.3978 -9.3944 -8.8533 -8.8473 -2.8579 -2.8572 -2.2490 -2.2459 -1.4516 -1.4511 -1.2468 -1.2463 -0.6007 -0.5971 -0.1864 -0.1767 1.0349 1.0375 1.0569 1.0627 1.5036 1.5047 2.0592 2.0608 2.3717 2.3735 2.6664 2.6681 3.3259 3.3285 3.5019 3.5061 3.9070 3.9102 4.2754 4.2771 4.6917 4.6932 4.7193 4.7247 12.0774 12.0871 12.1027 12.1029 12.5654 12.5659 13.0502 13.0571 13.6089 13.6090 k =-0.3453 0.5592 0.2936 ( 4297 PWs) bands (ev): -13.1492 -13.1490 -12.9852 -12.9852 -11.0136 -11.0135 -9.6891 -9.6878 -9.4545 -9.4512 -8.8794 -8.8736 -2.8016 -2.8008 -2.2581 -2.2553 -1.4754 -1.4749 -1.3051 -1.3047 -0.5457 -0.5424 -0.1043 -0.0947 1.0381 1.0402 1.0762 1.0821 1.4565 1.4582 2.0598 2.0616 2.3316 2.3346 2.6697 2.6716 3.3503 3.3528 3.4976 3.5017 3.9260 3.9294 4.2749 4.2766 4.6711 4.6725 4.7029 4.7082 12.0703 12.0705 12.0910 12.1012 12.5542 12.5546 13.0667 13.0742 13.5750 13.5752 k =-0.3453 0.5592 0.3099 ( 4295 PWs) bands (ev): -13.1436 -13.1435 -12.9888 -12.9888 -10.9791 -10.9789 -9.6701 -9.6690 -9.5122 -9.5091 -8.9063 -8.9008 -2.7449 -2.7440 -2.2640 -2.2614 -1.5007 -1.5002 -1.3630 -1.3627 -0.4877 -0.4847 -0.0238 -0.0143 1.0389 1.0404 1.0959 1.1018 1.4090 1.4112 2.0630 2.0649 2.2891 2.2933 2.6712 2.6732 3.3734 3.3757 3.4940 3.4980 3.9457 3.9493 4.2751 4.2767 4.6502 4.6513 4.6852 4.6904 12.0411 12.0416 12.1090 12.1192 12.5478 12.5481 13.0805 13.0886 13.5358 13.5363 k =-0.3453 0.5592 0.3262 ( 4299 PWs) bands (ev): -13.1379 -13.1378 -12.9926 -12.9926 -10.9429 -10.9426 -9.6502 -9.6492 -9.5708 -9.5678 -8.9340 -8.9288 -2.6881 -2.6871 -2.2667 -2.2644 -1.5275 -1.5272 -1.4201 -1.4200 -0.4268 -0.4242 0.0549 0.0642 1.0374 1.0383 1.1149 1.1205 1.3624 1.3647 2.0689 2.0710 2.2445 2.2497 2.6704 2.6725 3.3948 3.3970 3.4911 3.4949 3.9663 3.9701 4.2760 4.2776 4.6288 4.6298 4.6661 4.6711 12.0157 12.0166 12.1315 12.1417 12.5453 12.5455 13.0907 13.0993 13.4904 13.4912 k =-0.3453 0.5592 0.3425 ( 4300 PWs) bands (ev): -13.1321 -13.1320 -12.9966 -12.9966 -10.9050 -10.9047 -9.6307 -9.6300 -9.6279 -9.6266 -8.9622 -8.9573 -2.6314 -2.6303 -2.2663 -2.2642 -1.5559 -1.5556 -1.4765 -1.4764 -0.3632 -0.3610 0.1314 0.1405 1.0336 1.0339 1.1309 1.1357 1.3193 1.3210 2.0778 2.0800 2.1979 2.2041 2.6672 2.6694 3.4143 3.4163 3.4890 3.4927 3.9880 3.9918 4.2777 4.2793 4.6073 4.6081 4.6456 4.6506 11.9952 11.9964 12.1582 12.1685 12.5455 12.5456 13.0962 13.1053 13.4380 13.4394 k =-0.3453 0.5592 0.3588 ( 4298 PWs) bands (ev): -13.1262 -13.1260 -13.0009 -13.0008 -10.8655 -10.8651 -9.6898 -9.6871 -9.6077 -9.6069 -8.9911 -8.9865 -2.5750 -2.5738 -2.2628 -2.2610 -1.5858 -1.5855 -1.5319 -1.5317 -0.2972 -0.2954 0.2053 0.2142 1.0272 1.0274 1.1377 1.1402 1.2864 1.2869 2.0898 2.0922 2.1496 2.1568 2.6611 2.6634 3.4314 3.4333 3.4880 3.4915 4.0107 4.0146 4.2802 4.2818 4.5858 4.5864 4.6239 4.6287 11.9803 11.9818 12.1890 12.1993 12.5473 12.5473 13.0960 13.1054 13.3786 13.3808 k =-0.3453 0.5592 0.3751 ( 4302 PWs) bands (ev): -13.1201 -13.1200 -13.0053 -13.0052 -10.8244 -10.8239 -9.7498 -9.7472 -9.5851 -9.5845 -9.0204 -9.0161 -2.5190 -2.5178 -2.2563 -2.2547 -1.6172 -1.6170 -1.5861 -1.5858 -0.2289 -0.2276 0.2763 0.2851 1.0181 1.0188 1.1231 1.1242 1.2718 1.2759 2.0997 2.1047 2.1078 2.1084 2.6520 2.6544 3.4460 3.4477 3.4882 3.4914 4.0345 4.0384 4.2837 4.2852 4.5643 4.5647 4.6009 4.6055 11.9714 11.9733 12.2236 12.2338 12.5492 12.5493 13.0891 13.0988 13.3143 13.3172 k =-0.3453 0.5592 0.3914 ( 4307 PWs) bands (ev): -13.1140 -13.1139 -13.0099 -13.0098 -10.7817 -10.7812 -9.8099 -9.8075 -9.5617 -9.5613 -9.0501 -9.0461 -2.4636 -2.4625 -2.2468 -2.2454 -1.6502 -1.6499 -1.6389 -1.6384 -0.1587 -0.1579 0.3443 0.3528 1.0068 1.0080 1.0843 1.0880 1.2799 1.2865 2.0491 2.0579 2.1237 2.1262 2.6397 2.6421 3.4576 3.4593 3.4897 3.4927 4.0594 4.0634 4.2881 4.2896 4.5430 4.5432 4.5767 4.5812 11.9691 11.9713 12.2617 12.2719 12.5495 12.5496 13.0751 13.0849 13.2487 13.2523 k =-0.3453 0.5592 0.4077 ( 4308 PWs) bands (ev): -13.1078 -13.1077 -13.0146 -13.0146 -10.7375 -10.7369 -9.8700 -9.8678 -9.5374 -9.5372 -9.0801 -9.0763 -2.4090 -2.4078 -2.2343 -2.2331 -1.6906 -1.6904 -1.6841 -1.6836 -0.0868 -0.0865 0.4089 0.4171 0.9932 0.9948 1.0337 1.0384 1.3011 1.3090 1.9976 2.0071 2.1454 2.1480 2.6242 2.6266 3.4664 3.4681 3.4927 3.4953 4.0855 4.0894 4.2936 4.2951 4.5220 4.5220 4.5514 4.5558 11.9734 11.9759 12.3030 12.3131 12.5459 12.5459 13.0539 13.0637 13.1867 13.1906 k =-0.3453 0.5592 0.4240 ( 4308 PWs) bands (ev): -13.1016 -13.1015 -13.0196 -13.0195 -10.6919 -10.6912 -9.9300 -9.9278 -9.5124 -9.5124 -9.1103 -9.1068 -2.3552 -2.3540 -2.2190 -2.2180 -1.7402 -1.7401 -1.7199 -1.7196 -0.0138 -0.0135 0.4700 0.4779 0.9759 0.9772 0.9805 0.9823 1.3288 1.3374 1.9458 1.9559 2.1701 2.1728 2.6053 2.6078 3.4728 3.4746 3.4965 3.4988 4.1126 4.1165 4.3001 4.3016 4.5013 4.5014 4.5250 4.5294 11.9846 11.9873 12.3471 12.3572 12.5355 12.5358 13.0258 13.0356 13.1329 13.1369 k =-0.3453 0.5592 0.4403 ( 4307 PWs) bands (ev): -13.0953 -13.0952 -13.0247 -13.0246 -10.6448 -10.6440 -9.9896 -9.9876 -9.4869 -9.4867 -9.1406 -9.1374 -2.3023 -2.3012 -2.2008 -2.2000 -1.7884 -1.7882 -1.7570 -1.7567 0.0601 0.0609 0.5275 0.5351 0.9163 0.9220 0.9591 0.9618 1.3603 1.3695 1.8939 1.9044 2.1977 2.2003 2.5833 2.5859 3.4778 3.4796 3.5003 3.5022 4.1406 4.1445 4.3077 4.3091 4.4810 4.4814 4.4978 4.5021 12.0026 12.0055 12.3938 12.4038 12.5159 12.5166 12.9915 13.0012 13.0916 13.0955 k =-0.3453 0.5592 0.4566 ( 4313 PWs) bands (ev): -13.0891 -13.0890 -13.0300 -13.0299 -10.5963 -10.5954 -10.0489 -10.0470 -9.4606 -9.4602 -9.1709 -9.1680 -2.2504 -2.2493 -2.1799 -2.1792 -1.8347 -1.8345 -1.7955 -1.7951 0.1346 0.1360 0.5814 0.5886 0.8531 0.8587 0.9386 0.9417 1.3947 1.4044 1.8423 1.8532 2.2277 2.2304 2.5583 2.5609 3.4821 3.4839 3.5032 3.5049 4.1694 4.1733 4.3164 4.3177 4.4613 4.4620 4.4697 4.4741 12.0272 12.0303 12.4424 12.4526 12.4859 12.4869 12.9519 12.9615 13.0653 13.0688 k =-0.3453 0.5592 0.4730 ( 4305 PWs) bands (ev): -13.0828 -13.0827 -13.0354 -13.0353 -10.5464 -10.5455 -10.1076 -10.1058 -9.4337 -9.4331 -9.2012 -9.1986 -2.1996 -2.1986 -2.1562 -2.1557 -1.8792 -1.8790 -1.8353 -1.8349 0.2096 0.2116 0.6316 0.6384 0.7875 0.7931 0.9156 0.9192 1.4315 1.4415 1.7913 1.8025 2.2598 2.2625 2.5306 2.5331 3.4862 3.4879 3.5050 3.5066 4.1990 4.2028 4.3262 4.3275 4.4408 4.4413 4.4435 4.4465 12.0583 12.0615 12.4449 12.4471 12.4938 12.5032 12.9079 12.9175 13.0544 13.0573 k =-0.3453 0.5592 0.4893 ( 4305 PWs) bands (ev): -13.0766 -13.0765 -13.0409 -13.0409 -10.4953 -10.4943 -10.1656 -10.1640 -9.4062 -9.4053 -9.2314 -9.2290 -2.1499 -2.1489 -2.1299 -2.1296 -1.9216 -1.9215 -1.8764 -1.8759 0.2846 0.2872 0.6782 0.6846 0.7200 0.7253 0.8902 0.8942 1.4703 1.4807 1.7412 1.7525 2.2936 2.2962 2.5003 2.5029 3.4901 3.4918 3.5055 3.5070 4.2290 4.2328 4.3372 4.3383 4.4114 4.4147 4.4255 4.4256 12.0954 12.0988 12.3971 12.3996 12.5456 12.5552 12.8605 12.8700 13.0569 13.0594 k =-0.3453 0.5592 0.5056 ( 4306 PWs) bands (ev): -13.0705 -13.0704 -13.0466 -13.0465 -10.4430 -10.4419 -10.2229 -10.2214 -9.3781 -9.3770 -9.2614 -9.2593 -2.1022 -2.1021 -2.1001 -2.0993 -1.9620 -1.9619 -1.9189 -1.9183 0.3594 0.3626 0.6505 0.6555 0.7215 0.7275 0.8622 0.8666 1.5112 1.5219 1.6922 1.7035 2.3284 2.3311 2.4681 2.4707 3.4940 3.4955 3.5048 3.5063 4.2594 4.2631 4.3492 4.3502 4.3815 4.3851 4.4081 4.4086 12.1380 12.1414 12.3445 12.3474 12.5986 12.6081 12.8105 12.8199 13.0703 13.0724 k =-0.3453 0.5592 0.5219 ( 4304 PWs) bands (ev): -13.0644 -13.0643 -13.0525 -13.0524 -10.3895 -10.3883 -10.2794 -10.2780 -9.3496 -9.3482 -9.2911 -9.2893 -2.0701 -2.0699 -2.0538 -2.0529 -2.0002 -2.0001 -1.9626 -1.9619 0.4337 0.4374 0.5795 0.5841 0.7612 0.7669 0.8315 0.8363 1.5539 1.5649 1.6445 1.6558 2.3639 2.3665 2.4343 2.4368 3.4975 3.4990 3.5031 3.5046 4.2899 4.2937 4.3509 4.3548 4.3624 4.3636 4.3918 4.3925 12.1854 12.1888 12.2902 12.2934 12.6521 12.6616 12.7586 12.7681 13.0921 13.0939 k =-0.3453 0.5592 0.5382 ( 4302 PWs) bands (ev): -13.0584 -13.0584 -13.0583 -13.0583 -10.3350 -10.3350 -10.3336 -10.3336 -9.3206 -9.3206 -9.3190 -9.3190 -2.0364 -2.0364 -2.0364 -2.0364 -2.0074 -2.0074 -2.0067 -2.0067 0.5072 0.5072 0.5114 0.5114 0.7979 0.7979 0.8031 0.8031 1.5984 1.5984 1.6096 1.6096 2.3993 2.3993 2.4019 2.4019 3.5006 3.5006 3.5021 3.5021 4.3206 4.3206 4.3243 4.3243 4.3766 4.3766 4.3775 4.3775 12.2366 12.2366 12.2399 12.2399 12.7056 12.7056 12.7151 12.7151 13.1202 13.1202 k =-0.3453 0.5592 0.5382 ( 4302 PWs) bands (ev): -13.0584 -13.0584 -13.0583 -13.0583 -10.3350 -10.3350 -10.3336 -10.3336 -9.3206 -9.3206 -9.3190 -9.3190 -2.0364 -2.0364 -2.0364 -2.0364 -2.0074 -2.0074 -2.0067 -2.0067 0.5072 0.5072 0.5114 0.5114 0.7979 0.7979 0.8031 0.8031 1.5984 1.5984 1.6096 1.6096 2.3993 2.3993 2.4019 2.4019 3.5006 3.5006 3.5021 3.5021 4.3206 4.3206 4.3243 4.3243 4.3766 4.3766 4.3775 4.3775 12.2366 12.2366 12.2399 12.2399 12.7056 12.7056 12.7151 12.7151 13.1202 13.1202 k =-0.3539 0.5453 0.5382 ( 4302 PWs) bands (ev): -13.0551 -13.0551 -13.0550 -13.0550 -10.3635 -10.3635 -10.3622 -10.3622 -9.2892 -9.2892 -9.2876 -9.2876 -2.1073 -2.1073 -2.1071 -2.1071 -1.9667 -1.9667 -1.9660 -1.9660 0.5206 0.5206 0.5247 0.5247 0.8044 0.8044 0.8093 0.8093 1.6091 1.6091 1.6200 1.6200 2.4118 2.4118 2.4142 2.4142 3.4900 3.4900 3.4916 3.4916 4.2944 4.2944 4.2982 4.2982 4.4060 4.4060 4.4069 4.4069 12.1853 12.1853 12.1886 12.1886 12.6964 12.6964 12.7054 12.7054 13.1513 13.1513 k =-0.3625 0.5314 0.5382 ( 4310 PWs) bands (ev): -13.0519 -13.0519 -13.0518 -13.0518 -10.3905 -10.3905 -10.3893 -10.3893 -9.2584 -9.2584 -9.2569 -9.2569 -2.1760 -2.1760 -2.1758 -2.1758 -1.9281 -1.9281 -1.9273 -1.9273 0.5324 0.5324 0.5365 0.5365 0.8108 0.8108 0.8153 0.8153 1.6203 1.6203 1.6309 1.6309 2.4253 2.4253 2.4275 2.4275 3.4784 3.4784 3.4802 3.4802 4.2698 4.2698 4.2736 4.2736 4.4360 4.4360 4.4370 4.4370 12.1341 12.1341 12.1373 12.1373 12.6865 12.6865 12.6950 12.6950 13.1836 13.1836 k =-0.3711 0.5175 0.5382 ( 4308 PWs) bands (ev): -13.0490 -13.0490 -13.0489 -13.0489 -10.4161 -10.4161 -10.4150 -10.4150 -9.2285 -9.2285 -9.2271 -9.2271 -2.2424 -2.2424 -2.2421 -2.2421 -1.8917 -1.8917 -1.8909 -1.8909 0.5428 0.5428 0.5467 0.5467 0.8170 0.8170 0.8212 0.8212 1.6317 1.6317 1.6420 1.6420 2.4396 2.4396 2.4417 2.4417 3.4661 3.4661 3.4679 3.4679 4.2467 4.2467 4.2505 4.2505 4.4664 4.4664 4.4673 4.4673 12.0837 12.0837 12.0868 12.0868 12.6766 12.6766 12.6846 12.6846 13.2163 13.2163 k =-0.3797 0.5036 0.5382 ( 4304 PWs) bands (ev): -13.0462 -13.0462 -13.0461 -13.0461 -10.4401 -10.4401 -10.4391 -10.4391 -9.1995 -9.1995 -9.1981 -9.1981 -2.3059 -2.3059 -2.3056 -2.3056 -1.8575 -1.8575 -1.8568 -1.8568 0.5518 0.5518 0.5556 0.5556 0.8230 0.8230 0.8269 0.8269 1.6433 1.6433 1.6532 1.6532 2.4547 2.4547 2.4566 2.4566 3.4530 3.4530 3.4548 3.4548 4.2252 4.2252 4.2289 4.2289 4.4969 4.4969 4.4977 4.4977 12.0348 12.0348 12.0378 12.0378 12.6672 12.6672 12.6747 12.6747 13.2487 13.2487 k =-0.3883 0.4897 0.5382 ( 4300 PWs) bands (ev): -13.0436 -13.0436 -13.0435 -13.0435 -10.4626 -10.4626 -10.4616 -10.4616 -9.1717 -9.1717 -9.1704 -9.1704 -2.3665 -2.3665 -2.3661 -2.3661 -1.8257 -1.8257 -1.8250 -1.8250 0.5597 0.5597 0.5633 0.5633 0.8288 0.8288 0.8324 0.8324 1.6548 1.6548 1.6641 1.6641 2.4703 2.4703 2.4720 2.4720 3.4393 3.4393 3.4412 3.4412 4.2053 4.2053 4.2089 4.2089 4.5271 4.5271 4.5279 4.5279 11.9878 11.9878 11.9906 11.9906 12.6587 12.6587 12.6657 12.6657 13.2803 13.2803 k =-0.3969 0.4757 0.5382 ( 4308 PWs) bands (ev): -13.0412 -13.0412 -13.0411 -13.0411 -10.4836 -10.4836 -10.4826 -10.4826 -9.1451 -9.1451 -9.1438 -9.1438 -2.4237 -2.4237 -2.4233 -2.4233 -1.7961 -1.7961 -1.7954 -1.7954 0.5665 0.5665 0.5700 0.5700 0.8343 0.8343 0.8376 0.8376 1.6659 1.6659 1.6748 1.6748 2.4861 2.4861 2.4877 2.4877 3.4252 3.4252 3.4270 3.4270 4.1871 4.1871 4.1905 4.1905 4.5568 4.5568 4.5576 4.5576 11.9432 11.9432 11.9459 11.9459 12.6515 12.6515 12.6579 12.6579 13.3107 13.3108 k =-0.4055 0.4618 0.5382 ( 4308 PWs) bands (ev): -13.0389 -13.0389 -13.0389 -13.0389 -10.5029 -10.5029 -10.5020 -10.5020 -9.1199 -9.1199 -9.1188 -9.1188 -2.4775 -2.4775 -2.4770 -2.4770 -1.7689 -1.7689 -1.7682 -1.7682 0.5724 0.5724 0.5756 0.5756 0.8395 0.8395 0.8425 0.8425 1.6767 1.6767 1.6849 1.6849 2.5021 2.5021 2.5035 2.5035 3.4108 3.4108 3.4126 3.4126 4.1705 4.1705 4.1738 4.1738 4.5856 4.5856 4.5864 4.5864 11.9012 11.9012 11.9037 11.9037 12.6458 12.6458 12.6518 12.6518 13.3395 13.3395 k =-0.4141 0.4479 0.5382 ( 4308 PWs) bands (ev): -13.0369 -13.0369 -13.0368 -13.0368 -10.5206 -10.5206 -10.5198 -10.5198 -9.0963 -9.0963 -9.0952 -9.0952 -2.5274 -2.5274 -2.5270 -2.5270 -1.7440 -1.7440 -1.7434 -1.7434 0.5774 0.5774 0.5804 0.5804 0.8444 0.8444 0.8471 0.8471 1.6869 1.6869 1.6945 1.6945 2.5180 2.5180 2.5193 2.5193 3.3963 3.3963 3.3980 3.3980 4.1555 4.1555 4.1586 4.1586 4.6134 4.6134 4.6141 4.6141 11.8622 11.8622 11.8645 11.8645 12.6419 12.6419 12.6473 12.6473 13.3665 13.3665 k =-0.4227 0.4340 0.5382 ( 4312 PWs) bands (ev): -13.0351 -13.0351 -13.0350 -13.0350 -10.5367 -10.5367 -10.5360 -10.5360 -9.0744 -9.0744 -9.0734 -9.0734 -2.5734 -2.5734 -2.5729 -2.5729 -1.7215 -1.7215 -1.7209 -1.7209 0.5818 0.5818 0.5845 0.5845 0.8489 0.8489 0.8514 0.8514 1.6964 1.6964 1.7033 1.7033 2.5335 2.5335 2.5346 2.5346 3.3820 3.3820 3.3836 3.3836 4.1422 4.1422 4.1450 4.1450 4.6396 4.6396 4.6403 4.6403 11.8263 11.8263 11.8284 11.8284 12.6397 12.6397 12.6446 12.6446 13.3914 13.3915 k =-0.4313 0.4201 0.5382 ( 4314 PWs) bands (ev): -13.0334 -13.0334 -13.0333 -13.0333 -10.5511 -10.5511 -10.5505 -10.5505 -9.0544 -9.0544 -9.0535 -9.0535 -2.6151 -2.6151 -2.6147 -2.6147 -1.7013 -1.7013 -1.7007 -1.7007 0.5855 0.5855 0.5879 0.5879 0.8531 0.8531 0.8553 0.8553 1.7051 1.7051 1.7114 1.7114 2.5484 2.5484 2.5494 2.5494 3.3681 3.3681 3.3696 3.3696 4.1303 4.1303 4.1329 4.1329 4.6641 4.6641 4.6647 4.6647 11.7938 11.7938 11.7956 11.7956 12.6392 12.6392 12.6436 12.6436 13.4141 13.4142 k =-0.4399 0.4062 0.5382 ( 4306 PWs) bands (ev): -13.0319 -13.0319 -13.0319 -13.0319 -10.5639 -10.5639 -10.5633 -10.5633 -9.0364 -9.0364 -9.0355 -9.0355 -2.6524 -2.6524 -2.6520 -2.6520 -1.6834 -1.6834 -1.6830 -1.6830 0.5886 0.5886 0.5908 0.5908 0.8568 0.8568 0.8588 0.8588 1.7130 1.7130 1.7186 1.7186 2.5625 2.5625 2.5634 2.5634 3.3549 3.3549 3.3562 3.3562 4.1201 4.1201 4.1223 4.1223 4.6865 4.6865 4.6870 4.6870 11.7647 11.7647 11.7664 11.7664 12.6402 12.6402 12.6441 12.6441 13.4344 13.4346 k =-0.4484 0.3922 0.5382 ( 4298 PWs) bands (ev): -13.0307 -13.0307 -13.0306 -13.0306 -10.5750 -10.5750 -10.5745 -10.5745 -9.0204 -9.0204 -9.0197 -9.0197 -2.6851 -2.6851 -2.6848 -2.6848 -1.6680 -1.6680 -1.6676 -1.6676 0.5912 0.5912 0.5931 0.5931 0.8602 0.8602 0.8618 0.8618 1.7200 1.7200 1.7248 1.7248 2.5755 2.5755 2.5762 2.5762 3.3426 3.3426 3.3438 3.3438 4.1113 4.1113 4.1133 4.1133 4.7066 4.7066 4.7070 4.7070 11.7393 11.7393 11.7407 11.7407 12.6425 12.6425 12.6458 12.6458 13.4522 13.4523 k =-0.4570 0.3783 0.5382 ( 4306 PWs) bands (ev): -13.0296 -13.0296 -13.0295 -13.0295 -10.5844 -10.5844 -10.5840 -10.5840 -9.0067 -9.0067 -9.0061 -9.0061 -2.7131 -2.7131 -2.7128 -2.7128 -1.6549 -1.6549 -1.6545 -1.6545 0.5934 0.5934 0.5950 0.5950 0.8631 0.8631 0.8644 0.8644 1.7261 1.7261 1.7301 1.7301 2.5870 2.5870 2.5877 2.5877 3.3316 3.3316 3.3326 3.3326 4.1039 4.1039 4.1056 4.1056 4.7240 4.7240 4.7244 4.7244 11.7177 11.7177 11.7188 11.7188 12.6456 12.6456 12.6484 12.6484 13.4673 13.4674 k =-0.4656 0.3644 0.5382 ( 4320 PWs) bands (ev): -13.0287 -13.0287 -13.0287 -13.0287 -10.5921 -10.5921 -10.5917 -10.5917 -8.9954 -8.9954 -8.9949 -8.9949 -2.7362 -2.7362 -2.7359 -2.7359 -1.6442 -1.6442 -1.6439 -1.6439 0.5951 0.5951 0.5964 0.5964 0.8655 0.8655 0.8665 0.8665 1.7311 1.7311 1.7344 1.7344 2.5970 2.5970 2.5975 2.5975 3.3221 3.3221 3.3230 3.3230 4.0980 4.0980 4.0994 4.0994 4.7386 4.7386 4.7389 4.7389 11.6998 11.6998 11.7008 11.7008 12.6492 12.6492 12.6515 12.6515 13.4798 13.4799 k =-0.4742 0.3505 0.5382 ( 4316 PWs) bands (ev): -13.0280 -13.0280 -13.0280 -13.0280 -10.5980 -10.5980 -10.5978 -10.5978 -8.9864 -8.9864 -8.9861 -8.9861 -2.7542 -2.7542 -2.7541 -2.7541 -1.6358 -1.6358 -1.6356 -1.6356 0.5965 0.5965 0.5975 0.5975 0.8674 0.8674 0.8682 0.8682 1.7352 1.7352 1.7376 1.7376 2.6050 2.6050 2.6054 2.6054 3.3145 3.3145 3.3151 3.3151 4.0935 4.0935 4.0945 4.0945 4.7502 4.7502 4.7504 4.7504 11.6859 11.6859 11.6866 11.6866 12.6528 12.6528 12.6545 12.6545 13.4896 13.4897 k =-0.4828 0.3366 0.5382 ( 4328 PWs) bands (ev): -13.0275 -13.0275 -13.0275 -13.0275 -10.6023 -10.6023 -10.6021 -10.6021 -8.9800 -8.9800 -8.9797 -8.9797 -2.7672 -2.7672 -2.7671 -2.7671 -1.6299 -1.6299 -1.6297 -1.6297 0.5975 0.5975 0.5981 0.5981 0.8688 0.8688 0.8693 0.8693 1.7382 1.7382 1.7398 1.7398 2.6110 2.6110 2.6112 2.6112 3.3089 3.3089 3.3093 3.3093 4.0903 4.0903 4.0910 4.0910 4.7586 4.7586 4.7587 4.7587 11.6759 11.6759 11.6764 11.6764 12.6558 12.6558 12.6570 12.6570 13.4966 13.4967 k =-0.4914 0.3227 0.5382 ( 4320 PWs) bands (ev): -13.0272 -13.0272 -13.0272 -13.0272 -10.6048 -10.6048 -10.6048 -10.6048 -8.9761 -8.9761 -8.9759 -8.9759 -2.7750 -2.7750 -2.7749 -2.7749 -1.6263 -1.6263 -1.6262 -1.6262 0.5982 0.5982 0.5985 0.5985 0.8697 0.8697 0.8700 0.8700 1.7402 1.7402 1.7410 1.7410 2.6146 2.6146 2.6148 2.6148 3.3054 3.3054 3.3057 3.3057 4.0885 4.0885 4.0888 4.0888 4.7637 4.7637 4.7638 4.7638 11.6700 11.6700 11.6703 11.6703 12.6579 12.6579 12.6585 12.6585 13.5009 13.5009 k =-0.5000 0.3088 0.5382 ( 4328 PWs) bands (ev): -13.0271 -13.0271 -13.0271 -13.0271 -10.6057 -10.6057 -10.6057 -10.6057 -8.9747 -8.9747 -8.9747 -8.9747 -2.7776 -2.7776 -2.7776 -2.7776 -1.6251 -1.6251 -1.6251 -1.6251 0.5985 0.5985 0.5985 0.5985 0.8701 0.8701 0.8701 0.8701 1.7411 1.7411 1.7411 1.7411 2.6159 2.6159 2.6159 2.6159 3.3044 3.3044 3.3044 3.3044 4.0880 4.0880 4.0880 4.0880 4.7654 4.7654 4.7654 4.7654 11.6681 11.6681 11.6681 11.6681 12.6589 12.6589 12.6589 12.6589 13.5023 13.5023 k =-0.5000 0.3088 0.5382 ( 4328 PWs) bands (ev): -13.0271 -13.0271 -13.0271 -13.0271 -10.6057 -10.6057 -10.6057 -10.6057 -8.9747 -8.9747 -8.9747 -8.9747 -2.7776 -2.7776 -2.7776 -2.7776 -1.6251 -1.6251 -1.6251 -1.6251 0.5985 0.5985 0.5985 0.5985 0.8701 0.8701 0.8701 0.8701 1.7411 1.7411 1.7411 1.7411 2.6159 2.6159 2.6159 2.6159 3.3044 3.3044 3.3044 3.3044 4.0880 4.0880 4.0880 4.0880 4.7654 4.7654 4.7654 4.7654 11.6681 11.6681 11.6681 11.6681 12.6589 12.6589 12.6589 12.6589 13.5023 13.5023 k =-0.5000 0.3088 0.5219 ( 4320 PWs) bands (ev): -13.0318 -13.0318 -13.0225 -13.0225 -10.6628 -10.6628 -10.5475 -10.5475 -8.9776 -8.9776 -8.9720 -8.9720 -2.7781 -2.7781 -2.7739 -2.7739 -1.6749 -1.6749 -1.5782 -1.5782 0.5137 0.5137 0.6840 0.6840 0.8674 0.8674 0.8706 0.8706 1.7145 1.7145 1.7701 1.7701 2.6110 2.6110 2.6181 2.6181 3.2882 3.2882 3.3188 3.3188 4.0628 4.0628 4.1139 4.1139 4.7650 4.7650 4.7668 4.7668 11.6609 11.6609 11.6833 11.6833 12.6559 12.6559 12.6584 12.6584 13.4593 13.4593 k =-0.5000 0.3088 0.5056 ( 4324 PWs) bands (ev): -13.0365 -13.0365 -13.0180 -13.0180 -10.7187 -10.7187 -10.4882 -10.4882 -8.9807 -8.9807 -8.9695 -8.9695 -2.7754 -2.7754 -2.7671 -2.7671 -1.7280 -1.7280 -1.5343 -1.5343 0.4304 0.4304 0.7690 0.7690 0.8622 0.8622 0.8688 0.8688 1.6909 1.6909 1.8008 1.8008 2.6034 2.6034 2.6176 2.6176 3.2702 3.2702 3.3316 3.3316 4.0384 4.0384 4.1403 4.1403 4.7654 4.7654 4.7690 4.7690 11.6614 11.6614 11.7066 11.7066 12.6497 12.6497 12.6541 12.6541 13.4163 13.4163 k =-0.5000 0.3088 0.4893 ( 4332 PWs) bands (ev): -13.0412 -13.0412 -13.0136 -13.0136 -10.7733 -10.7733 -10.4280 -10.4280 -8.9839 -8.9839 -8.9672 -8.9672 -2.7696 -2.7696 -2.7572 -2.7572 -1.7842 -1.7842 -1.4933 -1.4933 0.3492 0.3492 0.8516 0.8516 0.8550 0.8550 0.8649 0.8649 1.6715 1.6715 1.8329 1.8329 2.5928 2.5928 2.6147 2.6147 3.2504 3.2504 3.3429 3.3429 4.0150 4.0150 4.1669 4.1669 4.7669 4.7669 4.7720 4.7720 11.6694 11.6694 11.7381 11.7381 12.6410 12.6410 12.6458 12.6458 13.3736 13.3736 k =-0.5000 0.3088 0.4730 ( 4332 PWs) bands (ev): -13.0460 -13.0460 -13.0093 -13.0093 -10.8266 -10.8266 -10.3669 -10.3669 -8.9873 -8.9873 -8.9651 -8.9651 -2.7606 -2.7606 -2.7442 -2.7442 -1.8436 -1.8436 -1.4549 -1.4549 0.2707 0.2707 0.8441 0.8441 0.8587 0.8587 0.9318 0.9318 1.6578 1.6578 1.8660 1.8660 2.5794 2.5794 2.6096 2.6096 3.2291 3.2291 3.3528 3.3528 3.9926 3.9926 4.1935 4.1935 4.7694 4.7694 4.7757 4.7757 11.6844 11.6844 11.7778 11.7778 12.6299 12.6299 12.6337 12.6337 13.3319 13.3319 k =-0.5000 0.3088 0.4566 ( 4332 PWs) bands (ev): -13.0508 -13.0508 -13.0050 -13.0050 -10.8786 -10.8786 -10.3051 -10.3051 -8.9908 -8.9908 -8.9632 -8.9632 -2.7484 -2.7484 -2.7281 -2.7281 -1.9062 -1.9062 -1.4191 -1.4191 0.1952 0.1952 0.8309 0.8309 0.8504 0.8504 1.0050 1.0050 1.6519 1.6519 1.8999 1.8999 2.5632 2.5632 2.6026 2.6026 3.2065 3.2065 3.3616 3.3616 3.9713 3.9713 4.2199 4.2199 4.7730 4.7730 4.7801 4.7801 11.7059 11.7059 11.8255 11.8255 12.6156 12.6156 12.6191 12.6191 13.2917 13.2917 k =-0.5000 0.3088 0.4403 ( 4322 PWs) bands (ev): -13.0556 -13.0556 -13.0009 -13.0009 -10.9291 -10.9291 -10.2426 -10.2426 -8.9945 -8.9945 -8.9615 -8.9615 -2.7332 -2.7332 -2.7090 -2.7090 -1.9718 -1.9718 -1.3856 -1.3856 0.1230 0.1230 0.8146 0.8146 0.8399 0.8399 1.0688 1.0688 1.6568 1.6568 1.9344 1.9344 2.5442 2.5442 2.5939 2.5939 3.1828 3.1828 3.3695 3.3695 3.9509 3.9509 4.2457 4.2457 4.7776 4.7776 4.7852 4.7852 11.7333 11.7333 11.8811 11.8811 12.5960 12.5960 12.6050 12.6050 13.2537 13.2537 k =-0.5000 0.3088 0.4240 ( 4318 PWs) bands (ev): -13.0604 -13.0604 -12.9969 -12.9969 -10.9781 -10.9781 -10.1796 -10.1796 -8.9983 -8.9983 -8.9599 -8.9599 -2.7149 -2.7149 -2.6870 -2.6870 -2.0403 -2.0403 -1.3544 -1.3544 0.0544 0.0544 0.7951 0.7951 0.8271 0.8271 1.1198 1.1198 1.6753 1.6753 1.9693 1.9693 2.5226 2.5226 2.5840 2.5840 3.1584 3.1584 3.3766 3.3766 3.9316 3.9316 4.2709 4.2709 4.7834 4.7834 4.7908 4.7908 11.7657 11.7657 11.9444 11.9444 12.5727 12.5727 12.5906 12.5906 13.2187 13.2187 k =-0.5000 0.3088 0.4077 ( 4316 PWs) bands (ev): -13.0652 -13.0652 -12.9930 -12.9930 -11.0256 -11.0256 -10.1162 -10.1162 -9.0021 -9.0021 -8.9586 -8.9586 -2.6936 -2.6936 -2.6621 -2.6621 -2.1116 -2.1116 -1.3254 -1.3254 -0.0105 -0.0105 0.7723 0.7723 0.8120 0.8120 1.1558 1.1558 1.7094 1.7094 2.0044 2.0044 2.4986 2.4986 2.5733 2.5733 3.1336 3.1336 3.3830 3.3830 3.9130 3.9130 4.2951 4.2951 4.7904 4.7904 4.7968 4.7968 11.8024 11.8024 12.0151 12.0151 12.5463 12.5463 12.5760 12.5760 13.1873 13.1873 k =-0.5000 0.3088 0.3914 ( 4316 PWs) bands (ev): -13.0699 -13.0699 -12.9893 -12.9893 -11.0716 -11.0716 -10.0524 -10.0524 -9.0061 -9.0061 -8.9575 -8.9575 -2.6693 -2.6693 -2.6344 -2.6344 -2.1853 -2.1853 -1.2983 -1.2983 -0.0716 -0.0716 0.7459 0.7459 0.7944 0.7944 1.1769 1.1769 1.7583 1.7583 2.0396 2.0396 2.4725 2.4725 2.5620 2.5620 3.1089 3.1089 3.3890 3.3890 3.8952 3.8952 4.3182 4.3182 4.7985 4.7985 4.8034 4.8034 11.8422 11.8422 12.0929 12.0929 12.5177 12.5177 12.5615 12.5615 13.1606 13.1606 k =-0.5000 0.3088 0.3751 ( 4314 PWs) bands (ev): -13.0746 -13.0746 -12.9857 -12.9857 -11.1159 -11.1159 -9.9886 -9.9886 -9.0101 -9.0101 -8.9565 -8.9565 -2.6421 -2.6421 -2.6041 -2.6041 -2.2612 -2.2612 -1.2731 -1.2731 -0.1290 -0.1290 0.7159 0.7159 0.7742 0.7742 1.1857 1.1857 1.8194 1.8194 2.0747 2.0747 2.4445 2.4445 2.5507 2.5507 3.0845 3.0845 3.3945 3.3945 3.8780 3.8780 4.3402 4.3402 4.8077 4.8077 4.8103 4.8103 11.8840 11.8840 12.1774 12.1774 12.4872 12.4872 12.5474 12.5474 13.1394 13.1394 k =-0.5000 0.3088 0.3588 ( 4314 PWs) bands (ev): -13.0792 -13.0792 -12.9822 -12.9822 -11.1585 -11.1585 -9.9247 -9.9247 -9.0142 -9.0142 -8.9557 -8.9557 -2.6122 -2.6122 -2.5711 -2.5711 -2.3388 -2.3388 -1.2497 -1.2497 -0.1826 -0.1826 0.6822 0.6822 0.7513 0.7513 1.1853 1.1853 1.8890 1.8890 2.1096 2.1096 2.4150 2.4150 2.5396 2.5396 3.0607 3.0607 3.3996 3.3996 3.8614 3.8614 4.3608 4.3608 4.8171 4.8171 4.8186 4.8186 11.9265 11.9265 12.2682 12.2682 12.4554 12.4554 12.5340 12.5340 13.1248 13.1248 k =-0.5000 0.3088 0.3425 ( 4304 PWs) bands (ev): -13.0837 -13.0837 -12.9789 -12.9789 -11.1995 -11.1995 -9.8611 -9.8611 -9.0182 -9.0182 -8.9550 -8.9550 -2.5795 -2.5795 -2.5356 -2.5356 -2.4178 -2.4178 -1.2279 -1.2279 -0.2326 -0.2326 0.6447 0.6447 0.7256 0.7256 1.1788 1.1788 1.9639 1.9639 2.1441 2.1441 2.3846 2.3846 2.5292 2.5292 3.0378 3.0378 3.4044 3.4044 3.8453 3.8453 4.3800 4.3800 4.8247 4.8247 4.8300 4.8300 11.9681 11.9681 12.3647 12.3647 12.4229 12.4229 12.5215 12.5215 13.1179 13.1179 k =-0.5000 0.3088 0.3262 ( 4310 PWs) bands (ev): -13.0881 -13.0881 -12.9758 -12.9758 -11.2388 -11.2388 -9.7978 -9.7978 -9.0223 -9.0223 -8.9545 -8.9545 -2.5442 -2.5442 -2.4985 -2.4985 -2.4970 -2.4970 -1.2077 -1.2077 -0.2791 -0.2791 0.6034 0.6034 0.6971 0.6971 1.1682 1.1682 2.0414 2.0414 2.1782 2.1782 2.3535 2.3535 2.5197 2.5197 3.0158 3.0158 3.4088 3.4088 3.8296 3.8296 4.3978 4.3978 4.8324 4.8324 4.8428 4.8428 12.0075 12.0075 12.3898 12.3898 12.4667 12.4667 12.5103 12.5103 13.1197 13.1197 k =-0.5000 0.3088 0.3099 ( 4314 PWs) bands (ev): -13.0924 -13.0924 -12.9728 -12.9728 -11.2763 -11.2763 -9.7350 -9.7350 -9.0264 -9.0264 -8.9541 -8.9541 -2.5781 -2.5781 -2.5063 -2.5063 -2.4578 -2.4578 -1.1889 -1.1889 -0.3222 -0.3222 0.5586 0.5586 0.6656 0.6656 1.1553 1.1553 2.1196 2.1196 2.2117 2.2117 2.3224 2.3224 2.5114 2.5114 2.9948 2.9948 3.4130 3.4130 3.8143 3.8143 4.4141 4.4141 4.8401 4.8401 4.8566 4.8566 12.0433 12.0433 12.3570 12.3570 12.5003 12.5003 12.5735 12.5735 13.1311 13.1311 k =-0.5000 0.3088 0.2936 ( 4314 PWs) bands (ev): -13.0966 -13.0966 -12.9699 -12.9699 -11.3120 -11.3120 -9.6731 -9.6731 -9.0304 -9.0304 -8.9538 -8.9538 -2.6585 -2.6585 -2.4662 -2.4662 -2.4158 -2.4158 -1.1715 -1.1715 -0.3620 -0.3620 0.5103 0.5103 0.6311 0.6311 1.1409 1.1409 2.1970 2.1970 2.2447 2.2447 2.2917 2.2917 2.5043 2.5043 2.9750 2.9750 3.4168 3.4168 3.7994 3.7994 4.4289 4.4289 4.8479 4.8479 4.8714 4.8714 12.0744 12.0744 12.3246 12.3246 12.4920 12.4920 12.6842 12.6842 13.1526 13.1526 k =-0.5000 0.3088 0.2773 ( 4314 PWs) bands (ev): -13.1007 -13.1007 -12.9672 -12.9672 -11.3460 -11.3460 -9.6121 -9.6121 -9.0343 -9.0343 -8.9537 -8.9537 -2.7385 -2.7385 -2.4238 -2.4238 -2.3719 -2.3719 -1.1555 -1.1555 -0.3988 -0.3988 0.4587 0.4587 0.5938 0.5938 1.1259 1.1259 2.2614 2.2614 2.2684 2.2684 2.2817 2.2817 2.4987 2.4987 2.9563 2.9563 3.4203 3.4203 3.7849 3.7849 4.4422 4.4422 4.8557 4.8557 4.8872 4.8872 12.1002 12.1002 12.2928 12.2928 12.4855 12.4855 12.7983 12.7983 13.1843 13.1843 k =-0.5000 0.3088 0.2609 ( 4314 PWs) bands (ev): -13.1046 -13.1046 -12.9647 -12.9647 -11.3781 -11.3781 -9.5523 -9.5523 -9.0382 -9.0382 -8.9536 -8.9536 -2.8174 -2.8174 -2.3794 -2.3794 -2.3264 -2.3264 -1.1407 -1.1407 -0.4326 -0.4326 0.4042 0.4042 0.5536 0.5536 1.1107 1.1107 2.2328 2.2328 2.3054 2.3054 2.3492 2.3492 2.4946 2.4946 2.9387 2.9387 3.4235 3.4235 3.7708 3.7708 4.4541 4.4541 4.8634 4.8634 4.9037 4.9037 12.1205 12.1205 12.2619 12.2619 12.4809 12.4809 12.9150 12.9150 13.2257 13.2257 k =-0.5000 0.3088 0.2446 ( 4310 PWs) bands (ev): -13.1084 -13.1084 -12.9623 -12.9623 -11.4084 -11.4084 -9.4941 -9.4941 -9.0419 -9.0419 -8.9536 -8.9536 -2.8949 -2.8949 -2.3332 -2.3332 -2.2795 -2.2795 -1.1271 -1.1271 -0.4637 -0.4637 0.3472 0.3472 0.5109 0.5109 1.0956 1.0956 2.2056 2.2056 2.3355 2.3355 2.4198 2.4198 2.4920 2.4920 2.9224 2.9224 3.4263 3.4263 3.7572 3.7572 4.4646 4.4646 4.8710 4.8710 4.9210 4.9210 12.1356 12.1356 12.2322 12.2322 12.4783 12.4783 13.0332 13.0332 13.2759 13.2759 k =-0.5000 0.3088 0.2283 ( 4306 PWs) bands (ev): -13.1119 -13.1119 -12.9600 -12.9600 -11.4368 -11.4368 -9.4375 -9.4375 -9.0455 -9.0455 -8.9537 -8.9537 -2.9704 -2.9704 -2.2855 -2.2855 -2.2315 -2.2315 -1.1146 -1.1146 -0.4921 -0.4921 0.2879 0.2879 0.4659 0.4659 1.0810 1.0810 2.1800 2.1800 2.3640 2.3640 2.4873 2.4873 2.4907 2.4907 2.9071 2.9071 3.4287 3.4287 3.7441 3.7441 4.4739 4.4739 4.8783 4.8783 4.9388 4.9388 12.1460 12.1460 12.2039 12.2039 12.4778 12.4778 13.1516 13.1516 13.3334 13.3334 k =-0.5000 0.3088 0.2120 ( 4302 PWs) bands (ev): -13.1153 -13.1153 -12.9580 -12.9580 -11.4633 -11.4633 -9.3830 -9.3830 -9.0490 -9.0490 -8.9539 -8.9539 -3.0435 -3.0435 -2.2364 -2.2364 -2.1827 -2.1827 -1.1032 -1.1032 -0.5180 -0.5180 0.2270 0.2270 0.4189 0.4189 1.0669 1.0669 2.1565 2.1565 2.3911 2.3911 2.4907 2.4907 2.5512 2.5512 2.8929 2.8929 3.4308 3.4308 3.7315 3.7315 4.4819 4.4819 4.8855 4.8855 4.9569 4.9569 12.1525 12.1525 12.1772 12.1772 12.4795 12.4795 13.2687 13.2687 13.3966 13.3966 k =-0.5000 0.3088 0.1957 ( 4306 PWs) bands (ev): -13.1185 -13.1185 -12.9561 -12.9561 -11.4879 -11.4879 -9.3308 -9.3308 -9.0523 -9.0523 -8.9541 -8.9541 -3.1136 -3.1136 -2.1864 -2.1864 -2.1335 -2.1335 -1.0929 -1.0929 -0.5416 -0.5416 0.1649 0.1649 0.3704 0.3704 1.0536 1.0536 2.1349 2.1349 2.4166 2.4166 2.4918 2.4918 2.6110 2.6110 2.8798 2.8798 3.4326 3.4326 3.7195 3.7195 4.4887 4.4887 4.8923 4.8923 4.9752 4.9752 12.1502 12.1502 12.1577 12.1577 12.4833 12.4833 13.3819 13.3819 13.4363 13.4363 k =-0.5000 0.3088 0.1794 ( 4304 PWs) bands (ev): -13.1214 -13.1214 -12.9543 -12.9543 -11.5106 -11.5106 -9.2812 -9.2812 -9.0554 -9.0554 -8.9543 -8.9543 -3.1803 -3.1803 -2.1358 -2.1358 -2.0843 -2.0843 -1.0835 -1.0835 -0.5629 -0.5629 0.1022 0.1022 0.3210 0.3210 1.0411 1.0411 2.1154 2.1154 2.4406 2.4406 2.4940 2.4940 2.6665 2.6665 2.8678 2.8678 3.4340 3.4340 3.7082 3.7082 4.4945 4.4945 4.8988 4.8988 4.9934 4.9934 12.1277 12.1277 12.1580 12.1580 12.4894 12.4894 13.4125 13.4125 13.4880 13.4880 k =-0.5000 0.3088 0.1631 ( 4298 PWs) bands (ev): -13.1242 -13.1242 -12.9527 -12.9527 -11.5314 -11.5314 -9.2346 -9.2346 -9.0583 -9.0583 -8.9545 -8.9545 -3.2430 -3.2430 -2.0850 -2.0850 -2.0355 -2.0355 -1.0751 -1.0751 -0.5820 -0.5820 0.0397 0.0397 0.2712 0.2712 1.0295 1.0295 2.0980 2.0980 2.4628 2.4628 2.4969 2.4969 2.7176 2.7176 2.8568 2.8568 3.4351 3.4351 3.6977 3.6977 4.4994 4.4994 4.9050 4.9050 5.0112 5.0112 12.1061 12.1061 12.1577 12.1577 12.4976 12.4976 13.3891 13.3891 13.5816 13.5816 k =-0.5000 0.3088 0.1468 ( 4298 PWs) bands (ev): -13.1267 -13.1267 -12.9513 -12.9513 -11.5502 -11.5502 -9.1912 -9.1912 -9.0609 -9.0609 -8.9548 -8.9548 -3.3015 -3.3015 -2.0347 -2.0347 -1.9878 -1.9878 -1.0675 -1.0675 -0.5990 -0.5990 -0.0220 -0.0220 0.2219 0.2219 1.0188 1.0188 2.0827 2.0827 2.4832 2.4832 2.5004 2.5004 2.7640 2.7640 2.8469 2.8469 3.4359 3.4359 3.6879 3.6879 4.5034 4.5034 4.9106 4.9106 5.0285 5.0285 12.0863 12.0863 12.1563 12.1563 12.5078 12.5078 13.3663 13.3663 13.5906 13.5906 k =-0.5000 0.3088 0.1305 ( 4294 PWs) bands (ev): -13.1290 -13.1290 -12.9500 -12.9500 -11.5671 -11.5671 -9.1513 -9.1513 -9.0633 -9.0633 -8.9551 -8.9551 -3.3551 -3.3551 -1.9854 -1.9854 -1.9417 -1.9417 -1.0609 -1.0609 -0.6141 -0.6141 -0.0820 -0.0820 0.1737 0.1737 1.0092 1.0092 2.0693 2.0693 2.5008 2.5008 2.5051 2.5051 2.8056 2.8056 2.8381 2.8381 3.4365 3.4365 3.6790 3.6790 4.5066 4.5066 4.9158 4.9158 5.0449 5.0449 12.0684 12.0684 12.1544 12.1544 12.5198 12.5198 13.3447 13.3447 13.5318 13.5318 k =-0.5000 0.3088 0.1142 ( 4286 PWs) bands (ev): -13.1310 -13.1310 -12.9488 -12.9488 -11.5820 -11.5820 -9.1152 -9.1152 -9.0655 -9.0655 -8.9553 -8.9553 -3.4036 -3.4036 -1.9380 -1.9380 -1.8980 -1.8980 -1.0551 -1.0551 -0.6272 -0.6272 -0.1393 -0.1393 0.1277 0.1277 1.0007 1.0007 2.0579 2.0579 2.5075 2.5075 2.5189 2.5189 2.8300 2.8300 2.8427 2.8427 3.4368 3.4368 3.6709 3.6709 4.5093 4.5093 4.9205 4.9205 5.0601 5.0601 12.0526 12.0526 12.1523 12.1523 12.5333 12.5333 13.3246 13.3246 13.4757 13.4757 k =-0.5000 0.3088 0.0979 ( 4286 PWs) bands (ev): -13.1328 -13.1328 -12.9479 -12.9479 -11.5950 -11.5950 -9.0833 -9.0833 -9.0674 -9.0674 -8.9555 -8.9555 -3.4464 -3.4464 -1.8933 -1.8933 -1.8574 -1.8574 -1.0501 -1.0501 -0.6385 -0.6385 -0.1930 -0.1930 0.0847 0.0847 0.9932 0.9932 2.0482 2.0482 2.5115 2.5115 2.5333 2.5333 2.8233 2.8233 2.8745 2.8745 3.4370 3.4370 3.6639 3.6639 4.5113 4.5113 4.9246 4.9246 5.0739 5.0739 12.0388 12.0388 12.1500 12.1500 12.5477 12.5477 13.3063 13.3063 13.4233 13.4233 k =-0.5000 0.3088 0.0815 ( 4270 PWs) bands (ev): -13.1343 -13.1343 -12.9470 -12.9470 -11.6060 -11.6060 -9.0691 -9.0691 -9.0557 -9.0557 -8.9557 -8.9557 -3.4834 -3.4834 -1.8523 -1.8523 -1.8209 -1.8209 -1.0459 -1.0459 -0.6480 -0.6480 -0.2417 -0.2417 0.0458 0.0458 0.9868 0.9868 2.0402 2.0402 2.5152 2.5152 2.5457 2.5457 2.8176 2.8176 2.9016 2.9016 3.4370 3.4370 3.6578 3.6578 4.5129 4.5129 4.9281 4.9281 5.0861 5.0861 12.0270 12.0270 12.1480 12.1480 12.5626 12.5626 13.2902 13.2902 13.3756 13.3756 k =-0.5000 0.3088 0.0652 ( 4262 PWs) bands (ev): -13.1355 -13.1355 -12.9463 -12.9463 -11.6149 -11.6149 -9.0704 -9.0704 -9.0328 -9.0328 -8.9559 -8.9559 -3.5140 -3.5140 -1.8163 -1.8163 -1.7892 -1.7892 -1.0425 -1.0425 -0.6556 -0.6556 -0.2842 -0.2842 0.0121 0.0121 0.9816 0.9816 2.0339 2.0339 2.5184 2.5184 2.5559 2.5559 2.8128 2.8128 2.9237 2.9237 3.4370 3.4370 3.6528 3.6528 4.5141 4.5141 4.9311 4.9311 5.0964 5.0964 12.0174 12.0174 12.1462 12.1462 12.5770 12.5770 13.2764 13.2764 13.3341 13.3341 k =-0.5000 0.3088 0.0489 ( 4270 PWs) bands (ev): -13.1365 -13.1365 -12.9458 -12.9458 -11.6219 -11.6219 -9.0715 -9.0715 -9.0148 -9.0148 -8.9560 -8.9560 -3.5382 -3.5382 -1.7865 -1.7865 -1.7635 -1.7635 -1.0399 -1.0399 -0.6616 -0.6616 -0.3192 -0.3192 -0.0155 -0.0155 0.9775 0.9775 2.0290 2.0290 2.5211 2.5211 2.5640 2.5640 2.8092 2.8092 2.9409 2.9409 3.4369 3.4369 3.6489 3.6489 4.5149 4.5149 4.9334 4.9334 5.1047 5.1047 12.0099 12.0099 12.1447 12.1447 12.5900 12.5900 13.2649 13.2649 13.3002 13.3002 k =-0.5000 0.3088 0.0326 ( 4282 PWs) bands (ev): -13.1372 -13.1372 -12.9455 -12.9455 -11.6269 -11.6269 -9.0723 -9.0723 -9.0018 -9.0018 -8.9561 -8.9561 -3.5556 -3.5556 -1.7640 -1.7640 -1.7443 -1.7443 -1.0381 -1.0381 -0.6658 -0.6658 -0.3454 -0.3454 -0.0360 -0.0360 0.9746 0.9746 2.0256 2.0256 2.5231 2.5231 2.5697 2.5697 2.8065 2.8065 2.9532 2.9532 3.4368 3.4368 3.6461 3.6461 4.5155 4.5155 4.9350 4.9350 5.1107 5.1107 12.0045 12.0045 12.1436 12.1436 12.6005 12.6005 13.2552 13.2552 13.2760 13.2760 k =-0.5000 0.3088 0.0163 ( 4286 PWs) bands (ev): -13.1376 -13.1376 -12.9452 -12.9452 -11.6299 -11.6299 -9.0727 -9.0727 -8.9940 -8.9940 -8.9562 -8.9562 -3.5661 -3.5661 -1.7501 -1.7501 -1.7326 -1.7326 -1.0370 -1.0370 -0.6684 -0.6684 -0.3616 -0.3616 -0.0486 -0.0486 0.9729 0.9729 2.0235 2.0235 2.5243 2.5243 2.5732 2.5732 2.8049 2.8049 2.9606 2.9606 3.4368 3.4368 3.6443 3.6443 4.5158 4.5158 4.9360 4.9360 5.1143 5.1143 12.0013 12.0013 12.1429 12.1429 12.6073 12.6073 13.2469 13.2469 13.2633 13.2633 k =-0.5000 0.3088 0.0000 ( 4294 PWs) bands (ev): -13.1377 -13.1377 -12.9452 -12.9452 -11.6309 -11.6309 -9.0729 -9.0729 -8.9914 -8.9914 -8.9562 -8.9562 -3.5696 -3.5696 -1.7454 -1.7454 -1.7286 -1.7286 -1.0366 -1.0366 -0.6692 -0.6692 -0.3671 -0.3671 -0.0528 -0.0528 0.9723 0.9723 2.0228 2.0228 2.5247 2.5247 2.5743 2.5743 2.8044 2.8044 2.9631 2.9631 3.4367 3.4367 3.6438 3.6438 4.5159 4.5159 4.9363 4.9363 5.1156 5.1156 12.0002 12.0002 12.1427 12.1427 12.6096 12.6096 13.2433 13.2433 13.2598 13.2598 k = 0.0000 0.0000 0.5382 ( 4300 PWs) bands (ev): -13.2025 -13.2025 -13.2025 -13.2025 -10.1514 -10.1514 -10.1514 -10.1514 -8.9771 -8.9771 -8.9771 -8.9771 -3.9782 -3.9782 -3.9782 -3.9782 -0.4357 -0.4357 -0.4357 -0.4357 -0.1874 -0.1874 -0.1874 -0.1874 0.8201 0.8201 0.8201 0.8201 1.8488 1.8488 1.8488 1.8488 2.7567 2.7567 2.7567 2.7567 3.7499 3.7499 3.7499 3.7499 4.0436 4.0436 4.0436 4.0436 5.2919 5.2919 5.2919 5.2919 11.4256 11.4256 11.4256 11.4256 12.2533 12.2533 12.2533 12.2533 12.8564 12.8564 k =-0.0139 0.0086 0.5382 ( 4292 PWs) bands (ev): -13.2022 -13.2022 -13.2022 -13.2022 -10.1523 -10.1523 -10.1523 -10.1523 -8.9771 -8.9771 -8.9769 -8.9769 -3.9767 -3.9767 -3.9765 -3.9765 -0.4403 -0.4403 -0.4396 -0.4396 -0.1840 -0.1840 -0.1833 -0.1833 0.8212 0.8212 0.8214 0.8214 1.8470 1.8470 1.8472 1.8472 2.7577 2.7577 2.7579 2.7579 3.7492 3.7492 3.7495 3.7495 4.0419 4.0419 4.0421 4.0421 5.2917 5.2917 5.2918 5.2918 11.4253 11.4253 11.4256 11.4256 12.2553 12.2553 12.2559 12.2559 12.8565 12.8566 k =-0.0278 0.0172 0.5382 ( 4306 PWs) bands (ev): -13.2013 -13.2013 -13.2013 -13.2013 -10.1551 -10.1551 -10.1550 -10.1550 -8.9769 -8.9769 -8.9767 -8.9767 -3.9719 -3.9719 -3.9714 -3.9714 -0.4527 -0.4527 -0.4515 -0.4515 -0.1736 -0.1736 -0.1722 -0.1722 0.8246 0.8246 0.8249 0.8249 1.8417 1.8417 1.8421 1.8421 2.7611 2.7611 2.7615 2.7615 3.7473 3.7473 3.7480 3.7480 4.0370 4.0370 4.0374 4.0374 5.2912 5.2912 5.2913 5.2913 11.4250 11.4250 11.4255 11.4255 12.2617 12.2617 12.2630 12.2630 12.8573 12.8573 k =-0.0417 0.0257 0.5382 ( 4292 PWs) bands (ev): -13.1999 -13.1999 -13.1998 -13.1998 -10.1597 -10.1597 -10.1595 -10.1595 -8.9767 -8.9767 -8.9763 -8.9763 -3.9639 -3.9639 -3.9632 -3.9632 -0.4712 -0.4712 -0.4697 -0.4697 -0.1577 -0.1577 -0.1558 -0.1558 0.8303 0.8303 0.8307 0.8307 1.8330 1.8330 1.8336 1.8336 2.7667 2.7667 2.7673 2.7673 3.7443 3.7443 3.7453 3.7453 4.0290 4.0290 4.0296 4.0296 5.2902 5.2902 5.2904 5.2904 11.4246 11.4246 11.4254 11.4254 12.2725 12.2725 12.2745 12.2745 12.8585 12.8585 k =-0.0556 0.0343 0.5382 ( 4304 PWs) bands (ev): -13.1978 -13.1978 -13.1977 -13.1977 -10.1660 -10.1660 -10.1658 -10.1658 -8.9764 -8.9764 -8.9758 -8.9758 -3.9527 -3.9527 -3.9517 -3.9517 -0.4945 -0.4945 -0.4927 -0.4927 -0.1380 -0.1380 -0.1357 -0.1357 0.8381 0.8381 0.8387 0.8387 1.8211 1.8211 1.8219 1.8219 2.7743 2.7743 2.7750 2.7750 3.7401 3.7401 3.7414 3.7414 4.0183 4.0183 4.0191 4.0191 5.2886 5.2886 5.2889 5.2889 11.4243 11.4243 11.4253 11.4253 12.2875 12.2875 12.2900 12.2900 12.8602 12.8603 k =-0.0694 0.0429 0.5382 ( 4308 PWs) bands (ev): -13.1952 -13.1952 -13.1950 -13.1950 -10.1739 -10.1739 -10.1737 -10.1737 -8.9759 -8.9759 -8.9753 -8.9753 -3.9383 -3.9383 -3.9371 -3.9371 -0.5211 -0.5211 -0.5192 -0.5192 -0.1155 -0.1155 -0.1130 -0.1130 0.8482 0.8482 0.8489 0.8489 1.8061 1.8061 1.8071 1.8071 2.7835 2.7835 2.7844 2.7844 3.7348 3.7348 3.7365 3.7365 4.0051 4.0051 4.0062 4.0062 5.2863 5.2863 5.2866 5.2866 11.4243 11.4243 11.4255 11.4255 12.3062 12.3062 12.3094 12.3094 12.8625 12.8625 k =-0.0833 0.0515 0.5382 ( 4306 PWs) bands (ev): -13.1920 -13.1920 -13.1918 -13.1918 -10.1835 -10.1835 -10.1833 -10.1833 -8.9754 -8.9754 -8.9747 -8.9747 -3.9208 -3.9208 -3.9194 -3.9194 -0.5503 -0.5503 -0.5483 -0.5483 -0.0913 -0.0913 -0.0886 -0.0886 0.8604 0.8604 0.8612 0.8612 1.7883 1.7883 1.7895 1.7895 2.7942 2.7942 2.7952 2.7952 3.7282 3.7282 3.7303 3.7303 3.9900 3.9900 3.9913 3.9913 5.2831 5.2831 5.2835 5.2835 11.4247 11.4247 11.4261 11.4261 12.3284 12.3284 12.3322 12.3322 12.8651 12.8651 k =-0.0972 0.0600 0.5382 ( 4314 PWs) bands (ev): -13.1883 -13.1883 -13.1881 -13.1881 -10.1947 -10.1947 -10.1944 -10.1944 -8.9749 -8.9749 -8.9740 -8.9740 -3.9003 -3.9003 -3.8986 -3.8986 -0.5816 -0.5816 -0.5795 -0.5795 -0.0658 -0.0658 -0.0629 -0.0629 0.8746 0.8746 0.8755 0.8755 1.7677 1.7677 1.7692 1.7692 2.8058 2.8058 2.8071 2.8071 3.7205 3.7205 3.7230 3.7230 3.9734 3.9734 3.9748 3.9748 5.2789 5.2789 5.2793 5.2793 11.4258 11.4258 11.4273 11.4273 12.3537 12.3537 12.3580 12.3580 12.8682 12.8682 k =-0.1111 0.0686 0.5382 ( 4318 PWs) bands (ev): -13.1840 -13.1840 -13.1838 -13.1838 -10.2072 -10.2072 -10.2069 -10.2069 -8.9743 -8.9743 -8.9733 -8.9733 -3.8767 -3.8767 -3.8748 -3.8748 -0.6145 -0.6145 -0.6124 -0.6124 -0.0394 -0.0394 -0.0364 -0.0364 0.8909 0.8909 0.8919 0.8919 1.7448 1.7448 1.7464 1.7464 2.8181 2.8181 2.8196 2.8196 3.7116 3.7116 3.7144 3.7144 3.9558 3.9558 3.9575 3.9575 5.2734 5.2734 5.2738 5.2738 11.4277 11.4277 11.4294 11.4294 12.3815 12.3815 12.3864 12.3864 12.8718 12.8718 k =-0.1250 0.0772 0.5382 ( 4312 PWs) bands (ev): -13.1793 -13.1793 -13.1790 -13.1790 -10.2211 -10.2211 -10.2207 -10.2207 -8.9736 -8.9736 -8.9726 -8.9726 -3.8503 -3.8503 -3.8481 -3.8481 -0.6488 -0.6488 -0.6467 -0.6467 -0.0123 -0.0123 -0.0093 -0.0093 0.9090 0.9090 0.9101 0.9101 1.7196 1.7196 1.7214 1.7214 2.8307 2.8307 2.8322 2.8322 3.7015 3.7015 3.7047 3.7047 3.9379 3.9379 3.9398 3.9398 5.2666 5.2666 5.2669 5.2669 11.4305 11.4305 11.4323 11.4323 12.4114 12.4114 12.4169 12.4169 12.8759 12.8759 k =-0.1389 0.0858 0.5382 ( 4316 PWs) bands (ev): -13.1741 -13.1741 -13.1738 -13.1738 -10.2361 -10.2361 -10.2357 -10.2357 -8.9730 -8.9730 -8.9719 -8.9719 -3.8210 -3.8210 -3.8187 -3.8187 -0.6843 -0.6843 -0.6823 -0.6823 0.0153 0.0153 0.0183 0.0183 0.9289 0.9289 0.9301 0.9301 1.6924 1.6924 1.6944 1.6944 2.8430 2.8430 2.8447 2.8447 3.6902 3.6902 3.6938 3.6938 3.9202 3.9202 3.9223 3.9223 5.2581 5.2581 5.2584 5.2584 11.4344 11.4344 11.4363 11.4363 12.4428 12.4428 12.4489 12.4489 12.8808 12.8808 k =-0.1528 0.0943 0.5382 ( 4310 PWs) bands (ev): -13.1684 -13.1684 -13.1682 -13.1682 -10.2523 -10.2523 -10.2518 -10.2518 -8.9725 -8.9725 -8.9713 -8.9713 -3.7891 -3.7891 -3.7866 -3.7866 -0.7210 -0.7210 -0.7190 -0.7190 0.0432 0.0432 0.0463 0.0463 0.9505 0.9505 0.9518 0.9518 1.6635 1.6635 1.6657 1.6657 2.8546 2.8546 2.8565 2.8565 3.6777 3.6777 3.6816 3.6816 3.9033 3.9033 3.9055 3.9055 5.2480 5.2480 5.2483 5.2483 11.4394 11.4394 11.4413 11.4413 12.4751 12.4751 12.4818 12.4818 12.8865 12.8865 k =-0.1667 0.1029 0.5382 ( 4312 PWs) bands (ev): -13.1624 -13.1624 -13.1621 -13.1621 -10.2693 -10.2693 -10.2689 -10.2689 -8.9719 -8.9719 -8.9707 -8.9707 -3.7545 -3.7545 -3.7519 -3.7519 -0.7586 -0.7586 -0.7566 -0.7566 0.0714 0.0714 0.0745 0.0745 0.9736 0.9736 0.9751 0.9751 1.6331 1.6331 1.6354 1.6354 2.8651 2.8651 2.8671 2.8671 3.6641 3.6641 3.6683 3.6683 3.8878 3.8878 3.8902 3.8902 5.2362 5.2362 5.2365 5.2365 11.4455 11.4455 11.4475 11.4475 12.5076 12.5076 12.5149 12.5149 12.8936 12.8936 k =-0.1806 0.1115 0.5382 ( 4316 PWs) bands (ev): -13.1560 -13.1560 -13.1557 -13.1557 -10.2872 -10.2872 -10.2867 -10.2867 -8.9715 -8.9715 -8.9702 -8.9702 -3.7175 -3.7175 -3.7147 -3.7147 -0.7973 -0.7973 -0.7953 -0.7953 0.0997 0.0997 0.1029 0.1029 0.9982 0.9982 0.9998 0.9998 1.6015 1.6015 1.6040 1.6040 2.8740 2.8740 2.8762 2.8762 3.6493 3.6493 3.6538 3.6538 3.8742 3.8742 3.8767 3.8767 5.2226 5.2226 5.2229 5.2229 11.4527 11.4527 11.4547 11.4547 12.5394 12.5394 12.5473 12.5473 12.9026 12.9026 k =-0.1944 0.1201 0.5382 ( 4316 PWs) bands (ev): -13.1493 -13.1493 -13.1489 -13.1489 -10.3057 -10.3057 -10.3052 -10.3052 -8.9711 -8.9711 -8.9698 -8.9698 -3.6782 -3.6782 -3.6753 -3.6753 -0.8368 -0.8368 -0.8348 -0.8348 0.1282 0.1282 0.1313 0.1313 1.0241 1.0241 1.0257 1.0257 1.5689 1.5689 1.5716 1.5716 2.8810 2.8810 2.8834 2.8834 3.6336 3.6336 3.6382 3.6382 3.8631 3.8631 3.8655 3.8655 5.2072 5.2072 5.2075 5.2075 11.4610 11.4610 11.4631 11.4631 12.5695 12.5695 12.5781 12.5781 12.9141 12.9141 k =-0.2083 0.1287 0.5382 ( 4308 PWs) bands (ev): -13.1422 -13.1422 -13.1419 -13.1419 -10.3247 -10.3247 -10.3242 -10.3242 -8.9708 -8.9708 -8.9695 -8.9695 -3.6368 -3.6368 -3.6337 -3.6337 -0.8771 -0.8771 -0.8751 -0.8751 0.1566 0.1566 0.1597 0.1597 1.0509 1.0509 1.0527 1.0527 1.5359 1.5359 1.5388 1.5388 2.8857 2.8857 2.8882 2.8882 3.6169 3.6169 3.6217 3.6217 3.8547 3.8547 3.8571 3.8571 5.1901 5.1901 5.1905 5.1905 11.4703 11.4703 11.4724 11.4724 12.5970 12.5970 12.6061 12.6061 12.9291 12.9291 k =-0.2222 0.1372 0.5382 ( 4308 PWs) bands (ev): -13.1350 -13.1350 -13.1346 -13.1346 -10.3441 -10.3441 -10.3436 -10.3436 -8.9705 -8.9705 -8.9692 -8.9692 -3.5933 -3.5933 -3.5901 -3.5901 -0.9181 -0.9181 -0.9161 -0.9161 0.1849 0.1849 0.1880 0.1880 1.0782 1.0782 1.0803 1.0803 1.5028 1.5028 1.5059 1.5059 2.8879 2.8879 2.8905 2.8905 3.5994 3.5994 3.6043 3.6043 3.8493 3.8493 3.8516 3.8516 5.1713 5.1713 5.1718 5.1718 11.4805 11.4805 11.4826 11.4826 12.6209 12.6209 12.6304 12.6304 12.9483 12.9483 k =-0.2361 0.1458 0.5382 ( 4308 PWs) bands (ev): -13.1276 -13.1276 -13.1272 -13.1272 -10.3637 -10.3637 -10.3632 -10.3632 -8.9704 -8.9704 -8.9691 -8.9691 -3.5480 -3.5480 -3.5447 -3.5447 -0.9599 -0.9599 -0.9579 -0.9579 0.2130 0.2130 0.2161 0.2161 1.1056 1.1056 1.1078 1.1078 1.4704 1.4704 1.4738 1.4738 2.8872 2.8872 2.8900 2.8900 3.5812 3.5812 3.5861 3.5861 3.8472 3.8472 3.8494 3.8494 5.1509 5.1509 5.1515 5.1515 11.4915 11.4915 11.4936 11.4936 12.6404 12.6404 12.6503 12.6503 12.9724 12.9724 k =-0.2500 0.1544 0.5382 ( 4308 PWs) bands (ev): -13.1200 -13.1200 -13.1196 -13.1196 -10.3833 -10.3833 -10.3828 -10.3828 -8.9703 -8.9703 -8.9691 -8.9691 -3.5011 -3.5011 -3.4977 -3.4977 -1.0023 -1.0023 -1.0003 -1.0003 0.2408 0.2408 0.2439 0.2439 1.1318 1.1318 1.1343 1.1343 1.4399 1.4399 1.4435 1.4435 2.8838 2.8838 2.8866 2.8866 3.5624 3.5624 3.5672 3.5672 3.8484 3.8484 3.8504 3.8504 5.1291 5.1291 5.1299 5.1299 11.5032 11.5032 11.5052 11.5052 12.6554 12.6554 12.6654 12.6654 13.0014 13.0014 k =-0.2639 0.1630 0.5382 ( 4308 PWs) bands (ev): -13.1124 -13.1124 -13.1120 -13.1120 -10.4029 -10.4029 -10.4025 -10.4025 -8.9704 -8.9704 -8.9691 -8.9691 -3.4527 -3.4527 -3.4493 -3.4493 -1.0452 -1.0452 -1.0432 -1.0432 0.2683 0.2683 0.2713 0.2713 1.1551 1.1551 1.1580 1.1580 1.4133 1.4133 1.4171 1.4171 2.8775 2.8775 2.8804 2.8804 3.5431 3.5431 3.5479 3.5479 3.8528 3.8528 3.8546 3.8546 5.1060 5.1060 5.1069 5.1069 11.5153 11.5153 11.5174 11.5174 12.6660 12.6660 12.6760 12.6760 13.0350 13.0350 k =-0.2778 0.1715 0.5382 ( 4312 PWs) bands (ev): -13.1047 -13.1047 -13.1043 -13.1043 -10.4223 -10.4223 -10.4219 -10.4219 -8.9705 -8.9705 -8.9693 -8.9693 -3.4032 -3.4032 -3.3997 -3.3997 -1.0887 -1.0887 -1.0867 -1.0867 0.2953 0.2953 0.2983 0.2983 1.1723 1.1723 1.1755 1.1755 1.3937 1.3937 1.3978 1.3978 2.8684 2.8684 2.8714 2.8714 3.5234 3.5234 3.5281 3.5281 3.8602 3.8602 3.8620 3.8620 5.0818 5.0818 5.0828 5.0828 11.5279 11.5279 11.5300 11.5300 12.6729 12.6729 12.6828 12.6828 13.0724 13.0724 k =-0.2917 0.1801 0.5382 ( 4308 PWs) bands (ev): -13.0971 -13.0971 -13.0967 -13.0967 -10.4414 -10.4414 -10.4409 -10.4409 -8.9707 -8.9707 -8.9695 -8.9695 -3.3526 -3.3526 -3.3491 -3.3491 -1.1325 -1.1325 -1.1305 -1.1305 0.3219 0.3219 0.3248 0.3248 1.1792 1.1792 1.1824 1.1824 1.3859 1.3859 1.3898 1.3898 2.8568 2.8568 2.8597 2.8597 3.5035 3.5035 3.5080 3.5080 3.8706 3.8706 3.8722 3.8722 5.0567 5.0567 5.0579 5.0579 11.5407 11.5407 11.5428 11.5428 12.6769 12.6769 12.6866 12.6866 13.1126 13.1126 k =-0.3056 0.1887 0.5382 ( 4308 PWs) bands (ev): -13.0896 -13.0896 -13.0892 -13.0892 -10.4599 -10.4599 -10.4595 -10.4595 -8.9709 -8.9709 -8.9698 -8.9698 -3.3014 -3.3014 -3.2979 -3.2979 -1.1765 -1.1765 -1.1745 -1.1745 0.3479 0.3479 0.3508 0.3508 1.1731 1.1731 1.1761 1.1761 1.3924 1.3924 1.3958 1.3958 2.8428 2.8428 2.8457 2.8457 3.4834 3.4834 3.4878 3.4878 3.8834 3.8834 3.8850 3.8850 5.0310 5.0310 5.0322 5.0322 11.5536 11.5536 11.5556 11.5556 12.6785 12.6785 12.6879 12.6879 13.1546 13.1546 k =-0.3194 0.1973 0.5382 ( 4312 PWs) bands (ev): -13.0822 -13.0822 -13.0819 -13.0819 -10.4779 -10.4779 -10.4774 -10.4774 -8.9712 -8.9712 -8.9702 -8.9702 -3.2498 -3.2498 -3.2463 -3.2463 -1.2207 -1.2207 -1.2187 -1.2187 0.3732 0.3732 0.3762 0.3762 1.1558 1.1558 1.1586 1.1586 1.4113 1.4113 1.4141 1.4141 2.8268 2.8268 2.8296 2.8296 3.4634 3.4634 3.4676 3.4676 3.8985 3.8985 3.9000 3.9000 5.0047 5.0047 5.0061 5.0061 11.5664 11.5664 11.5684 11.5684 12.6785 12.6785 12.6875 12.6875 13.1976 13.1976 k =-0.3333 0.2058 0.5382 ( 4316 PWs) bands (ev): -13.0751 -13.0751 -13.0747 -13.0747 -10.4951 -10.4951 -10.4947 -10.4947 -8.9716 -8.9716 -8.9706 -8.9706 -3.1981 -3.1981 -3.1947 -3.1947 -1.2648 -1.2648 -1.2627 -1.2627 0.3980 0.3980 0.4008 0.4008 1.1314 1.1314 1.1340 1.1340 1.4382 1.4382 1.4405 1.4405 2.8090 2.8090 2.8117 2.8117 3.4437 3.4437 3.4477 3.4477 3.9153 3.9153 3.9168 3.9168 4.9783 4.9783 4.9797 4.9797 11.5790 11.5790 11.5810 11.5810 12.6773 12.6773 12.6859 12.6859 13.2405 13.2405 k =-0.3472 0.2144 0.5382 ( 4316 PWs) bands (ev): -13.0682 -13.0682 -13.0679 -13.0679 -10.5114 -10.5114 -10.5110 -10.5110 -8.9719 -8.9719 -8.9710 -8.9710 -3.1468 -3.1468 -3.1434 -3.1434 -1.3085 -1.3085 -1.3065 -1.3065 0.4220 0.4220 0.4248 0.4248 1.1033 1.1033 1.1058 1.1058 1.4697 1.4697 1.4717 1.4717 2.7897 2.7897 2.7924 2.7924 3.4245 3.4245 3.4282 3.4282 3.9334 3.9334 3.9350 3.9350 4.9519 4.9519 4.9534 4.9534 11.5912 11.5912 11.5932 11.5932 12.6753 12.6753 12.6835 12.6835 13.2824 13.2824 k =-0.3611 0.2230 0.5382 ( 4312 PWs) bands (ev): -13.0617 -13.0617 -13.0614 -13.0614 -10.5268 -10.5268 -10.5264 -10.5264 -8.9723 -8.9723 -8.9715 -8.9715 -3.0962 -3.0962 -3.0929 -3.0929 -1.3516 -1.3516 -1.3496 -1.3496 0.4452 0.4452 0.4480 0.4480 1.0736 1.0736 1.0761 1.0761 1.5035 1.5035 1.5052 1.5052 2.7694 2.7694 2.7719 2.7719 3.4059 3.4059 3.4094 3.4094 3.9525 3.9525 3.9540 3.9540 4.9259 4.9259 4.9274 4.9274 11.6030 11.6030 11.6049 11.6049 12.6729 12.6729 12.6807 12.6807 13.3225 13.3225 k =-0.3750 0.2316 0.5382 ( 4312 PWs) bands (ev): -13.0556 -13.0556 -13.0553 -13.0553 -10.5410 -10.5410 -10.5406 -10.5406 -8.9727 -8.9727 -8.9719 -8.9719 -3.0468 -3.0468 -3.0437 -3.0437 -1.3937 -1.3937 -1.3918 -1.3918 0.4677 0.4677 0.4704 0.4704 1.0437 1.0437 1.0461 1.0461 1.5381 1.5381 1.5397 1.5397 2.7483 2.7483 2.7507 2.7507 3.3883 3.3883 3.3916 3.3916 3.9720 3.9720 3.9735 3.9735 4.9006 4.9006 4.9021 4.9021 11.6142 11.6142 11.6159 11.6159 12.6704 12.6704 12.6776 12.6776 13.3598 13.3598 k =-0.3889 0.2401 0.5382 ( 4306 PWs) bands (ev): -13.0500 -13.0500 -13.0497 -13.0497 -10.5540 -10.5540 -10.5537 -10.5537 -8.9731 -8.9731 -8.9724 -8.9724 -2.9993 -2.9993 -2.9963 -2.9963 -1.4343 -1.4343 -1.4325 -1.4325 0.4893 0.4893 0.4919 0.4919 1.0142 1.0142 1.0167 1.0167 1.5726 1.5726 1.5740 1.5740 2.7270 2.7270 2.7292 2.7292 3.3718 3.3718 3.3748 3.3748 3.9915 3.9915 3.9929 3.9929 4.8762 4.8762 4.8777 4.8777 11.6246 11.6246 11.6262 11.6262 12.6678 12.6678 12.6744 12.6744 13.3934 13.3934 k =-0.4028 0.2487 0.5382 ( 4314 PWs) bands (ev): -13.0449 -13.0449 -13.0447 -13.0447 -10.5658 -10.5658 -10.5655 -10.5655 -8.9735 -8.9735 -8.9728 -8.9728 -2.9542 -2.9542 -2.9514 -2.9514 -1.4730 -1.4730 -1.4713 -1.4713 0.5099 0.5099 0.5124 0.5124 0.9860 0.9860 0.9884 0.9884 1.6061 1.6061 1.6074 1.6074 2.7058 2.7058 2.7078 2.7078 3.3568 3.3568 3.3594 3.3594 4.0105 4.0105 4.0118 4.0118 4.8532 4.8532 4.8546 4.8546 11.6341 11.6341 11.6356 11.6356 12.6655 12.6655 12.6714 12.6714 13.4226 13.4226 k =-0.4167 0.2573 0.5382 ( 4322 PWs) bands (ev): -13.0403 -13.0403 -13.0401 -13.0401 -10.5761 -10.5761 -10.5759 -10.5759 -8.9738 -8.9738 -8.9733 -8.9733 -2.9123 -2.9123 -2.9098 -2.9098 -1.5091 -1.5091 -1.5074 -1.5074 0.5294 0.5294 0.5318 0.5318 0.9594 0.9594 0.9617 0.9617 1.6376 1.6376 1.6388 1.6388 2.6854 2.6854 2.6872 2.6872 3.3433 3.3433 3.3456 3.3456 4.0285 4.0285 4.0297 4.0297 4.8320 4.8320 4.8333 4.8333 11.6426 11.6426 11.6440 11.6440 12.6634 12.6634 12.6686 12.6686 13.4468 13.4468 k =-0.4306 0.2659 0.5382 ( 4326 PWs) bands (ev): -13.0364 -13.0364 -13.0362 -13.0362 -10.5850 -10.5850 -10.5848 -10.5848 -8.9741 -8.9741 -8.9737 -8.9737 -2.8745 -2.8745 -2.8723 -2.8723 -1.5417 -1.5417 -1.5403 -1.5403 0.5474 0.5474 0.5496 0.5496 0.9350 0.9350 0.9371 0.9371 1.6664 1.6664 1.6674 1.6674 2.6664 2.6664 2.6680 2.6680 3.3316 3.3316 3.3335 3.3335 4.0450 4.0450 4.0461 4.0461 4.8129 4.8129 4.8141 4.8141 11.6501 11.6501 11.6513 11.6513 12.6616 12.6616 12.6661 12.6661 13.4659 13.4659 k =-0.4444 0.2745 0.5382 ( 4322 PWs) bands (ev): -13.0331 -13.0331 -13.0330 -13.0330 -10.5924 -10.5924 -10.5922 -10.5922 -8.9744 -8.9744 -8.9740 -8.9740 -2.8416 -2.8416 -2.8398 -2.8398 -1.5702 -1.5702 -1.5689 -1.5689 0.5637 0.5637 0.5657 0.5657 0.9134 0.9134 0.9153 0.9153 1.6916 1.6916 1.6925 1.6925 2.6495 2.6495 2.6508 2.6508 3.3218 3.3218 3.3234 3.3234 4.0595 4.0595 4.0604 4.0604 4.7965 4.7965 4.7975 4.7975 11.6564 11.6564 11.6573 11.6573 12.6602 12.6602 12.6639 12.6639 13.4802 13.4802 k =-0.4583 0.2830 0.5382 ( 4332 PWs) bands (ev): -13.0305 -13.0305 -13.0304 -13.0304 -10.5982 -10.5982 -10.5981 -10.5981 -8.9745 -8.9745 -8.9743 -8.9743 -2.8147 -2.8147 -2.8132 -2.8132 -1.5935 -1.5935 -1.5925 -1.5925 0.5777 0.5777 0.5793 0.5793 0.8953 0.8953 0.8968 0.8968 1.7125 1.7125 1.7131 1.7131 2.6353 2.6353 2.6363 2.6363 3.3141 3.3141 3.3153 3.3153 4.0714 4.0714 4.0722 4.0722 4.7832 4.7832 4.7840 4.7840 11.6613 11.6613 11.6621 11.6621 12.6593 12.6593 12.6621 12.6621 13.4902 13.4902 k =-0.4722 0.2916 0.5382 ( 4324 PWs) bands (ev): -13.0287 -13.0287 -13.0286 -13.0286 -10.6023 -10.6023 -10.6023 -10.6023 -8.9747 -8.9747 -8.9745 -8.9745 -2.7945 -2.7945 -2.7935 -2.7935 -1.6109 -1.6109 -1.6102 -1.6102 0.5886 0.5886 0.5898 0.5898 0.8815 0.8815 0.8826 0.8826 1.7280 1.7280 1.7285 1.7285 2.6247 2.6247 2.6253 2.6253 3.3086 3.3086 3.3094 3.3094 4.0804 4.0804 4.0809 4.0809 4.7733 4.7733 4.7739 4.7739 11.6650 11.6650 11.6655 11.6655 12.6587 12.6587 12.6606 12.6606 13.4968 13.4968 k =-0.4861 0.3002 0.5382 ( 4328 PWs) bands (ev): -13.0275 -13.0275 -13.0275 -13.0275 -10.6048 -10.6048 -10.6048 -10.6048 -8.9747 -8.9747 -8.9746 -8.9746 -2.7820 -2.7820 -2.7815 -2.7815 -1.6216 -1.6216 -1.6212 -1.6212 0.5958 0.5958 0.5964 0.5964 0.8729 0.8729 0.8735 0.8735 1.7377 1.7377 1.7380 1.7380 2.6180 2.6180 2.6184 2.6184 3.3053 3.3053 3.3057 3.3057 4.0860 4.0860 4.0863 4.0863 4.7674 4.7674 4.7676 4.7676 11.6673 11.6673 11.6675 11.6675 12.6586 12.6586 12.6595 12.6595 13.5006 13.5006 k =-0.5000 0.3088 0.5382 ( 4328 PWs) bands (ev): -13.0271 -13.0271 -13.0271 -13.0271 -10.6057 -10.6057 -10.6057 -10.6057 -8.9747 -8.9747 -8.9747 -8.9747 -2.7776 -2.7776 -2.7776 -2.7776 -1.6251 -1.6251 -1.6251 -1.6251 0.5985 0.5985 0.5985 0.5985 0.8701 0.8701 0.8701 0.8701 1.7411 1.7411 1.7411 1.7411 2.6159 2.6159 2.6159 2.6159 3.3044 3.3044 3.3044 3.3044 4.0880 4.0880 4.0880 4.0880 4.7654 4.7654 4.7654 4.7654 11.6681 11.6681 11.6681 11.6681 12.6589 12.6589 12.6589 12.6589 13.5023 13.5023 Writing output data file Si2N2O.save init_run : 3.28s CPU 13.45s WALL ( 1 calls) electrons : 1248.47s CPU 1259.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 1248.45s CPU 1259.41s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.71s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.36s WALL ( 1 calls) newd : 0.54s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 374 calls) cegterg : 1160.22s CPU 1167.29s WALL ( 1179 calls) Called by sum_band: Called by *egterg: h_psi : 417.50s CPU 429.97s WALL ( 22177 calls) s_psi : 68.73s CPU 69.19s WALL ( 22177 calls) g_psi : 0.90s CPU 1.04s WALL ( 20624 calls) cdiaghg : 523.53s CPU 518.66s WALL ( 20998 calls) cegterg:over : 85.20s CPU 81.32s WALL ( 20624 calls) cegterg:upda : 20.64s CPU 26.50s WALL ( 20624 calls) cegterg:last : 16.02s CPU 17.07s WALL ( 2679 calls) Called by h_psi: h_psi:vloc : 277.76s CPU 287.87s WALL ( 22177 calls) h_psi:vnl : 139.20s CPU 140.78s WALL ( 22177 calls) add_vuspsi : 51.86s CPU 58.53s WALL ( 22177 calls) General routines calbec : 87.25s CPU 82.10s WALL ( 22177 calls) fft : 0.57s CPU 1.39s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 261.18s CPU 266.78s WALL ( 1785040 calls) interpolate : 0.05s CPU 0.10s WALL ( 4 calls) davcio : 0.04s CPU 4.15s WALL ( 748 calls) Parallel routines fft_scatter : 161.27s CPU 167.73s WALL ( 1785063 calls) PWSCF : 22m12.56s CPU 24m43.59s WALL This run was terminated on: 7:22:51 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=