Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 5:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized 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 54 19 6 2104 449 76 Max 55 20 7 2113 466 80 Sum 2625 949 293 101193 22019 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5939 a.u. unit-cell volume = 434.0272 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.593916 celldm(2)= 1.000000 celldm(3)= 0.991109 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.003009 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.003009 0.999995 0.000000 ) a(3) = ( 0.000000 0.000000 0.991109 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.003009 -0.000000 ) b(2) = ( 0.000000 1.000005 -0.000000 ) b(3) = ( 0.000000 0.000000 1.008971 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s 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 s 2 -E -1 -s -2 Cartesian axes number of k points= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089018 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178036 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267054 0.0267858 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356071 0.0357145 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445089 0.0446431 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0534107 0.0535717 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0623125 0.0625003 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712143 0.0714289 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0801161 0.0803575 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890179 0.0892861 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979196 0.0982147 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068214 0.1071433 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1157232 0.1160719 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246250 0.1250006 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1335268 0.1339292 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1424286 0.1428578 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1513304 0.1517864 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1602322 0.1607150 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1691339 0.1696436 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1780357 0.1785722 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1869375 0.1875009 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1958393 0.1964295 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2047411 0.2053581 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2136429 0.2142867 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2225447 0.2232153 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2314464 0.2321439 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2403482 0.2410725 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2492500 0.2500011 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2581518 0.2589297 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2670536 0.2678584 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2759554 0.2767870 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2848572 0.2857156 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2937590 0.2946442 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3026607 0.3035728 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3115625 0.3125014 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3204643 0.3214300 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3293661 0.3303586 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3382679 0.3392873 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3471697 0.3482159 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3560715 0.3571445 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3649733 0.3660731 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3738750 0.3750017 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3827768 0.3839303 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3916786 0.3928589 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4005804 0.4017875 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4094822 0.4107161 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4183840 0.4196448 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4272858 0.4285734 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4361875 0.4375020 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4450893 0.4464306 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4539911 0.4553592 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4628929 0.4642878 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4717947 0.4732164 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4806965 0.4821450 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4895983 0.4910737 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4985000 0.5000023 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4985000 0.5000023 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4857180 0.5000023 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4729359 0.5000023 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4601539 0.5000023 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4473718 0.5000023 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4345898 0.5000023 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4218077 0.5000023 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4090257 0.5000023 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3962436 0.5000023 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3834616 0.5000023 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3706795 0.5000023 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3578975 0.5000023 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3451154 0.5000023 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3323334 0.5000023 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3195513 0.5000023 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3067693 0.5000023 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2939872 0.5000023 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2812052 0.5000023 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2684231 0.5000023 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2556410 0.5000023 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2428590 0.5000023 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2300769 0.5000023 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2172949 0.5000023 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2045128 0.5000023 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1917308 0.5000023 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1789487 0.5000023 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1661667 0.5000023 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1533846 0.5000023 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406026 0.5000023 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1278205 0.5000023 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1150385 0.5000023 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022564 0.5000023 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894744 0.5000023 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0766923 0.5000023 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0639103 0.5000023 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511282 0.5000023 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383462 0.5000023 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255641 0.5000023 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127820 0.5000023 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000023 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000023 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000023 0.0126121), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000023 0.0252243), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000023 0.0378364), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000023 0.0504485), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000023 0.0630607), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000023 0.0756728), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000023 0.0882849), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000023 0.1008971), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000023 0.1135092), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000023 0.1261213), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000023 0.1387334), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000023 0.1513456), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000023 0.1639577), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000023 0.1765698), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000023 0.1891820), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000023 0.2017941), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000023 0.2144062), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000023 0.2270184), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000023 0.2396305), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000023 0.2522426), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000023 0.2648548), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000023 0.2774669), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000023 0.2900790), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000023 0.3026912), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000023 0.3153033), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000023 0.3279154), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000023 0.3405275), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000023 0.3531397), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000023 0.3657518), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000023 0.3783639), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000023 0.3909761), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000023 0.4035882), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000023 0.4162003), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000023 0.4288125), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000023 0.4414246), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000023 0.4540367), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000023 0.4666489), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000023 0.4792610), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000023 0.4918731), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000023 0.5044853), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000023 0.5044853), wk = 0.0021008 k( 140) = ( 0.0127820 0.5000023 0.5044853), wk = 0.0021008 k( 141) = ( 0.0255641 0.5000023 0.5044853), wk = 0.0021008 k( 142) = ( 0.0383462 0.5000023 0.5044853), wk = 0.0021008 k( 143) = ( 0.0511282 0.5000023 0.5044853), wk = 0.0021008 k( 144) = ( 0.0639103 0.5000023 0.5044853), wk = 0.0021008 k( 145) = ( 0.0766923 0.5000023 0.5044853), wk = 0.0021008 k( 146) = ( 0.0894744 0.5000023 0.5044853), wk = 0.0021008 k( 147) = ( 0.1022564 0.5000023 0.5044853), wk = 0.0021008 k( 148) = ( 0.1150385 0.5000023 0.5044853), wk = 0.0021008 k( 149) = ( 0.1278205 0.5000023 0.5044853), wk = 0.0021008 k( 150) = ( 0.1406026 0.5000023 0.5044853), wk = 0.0021008 k( 151) = ( 0.1533846 0.5000023 0.5044853), wk = 0.0021008 k( 152) = ( 0.1661667 0.5000023 0.5044853), wk = 0.0021008 k( 153) = ( 0.1789487 0.5000023 0.5044853), wk = 0.0021008 k( 154) = ( 0.1917308 0.5000023 0.5044853), wk = 0.0021008 k( 155) = ( 0.2045128 0.5000023 0.5044853), wk = 0.0021008 k( 156) = ( 0.2172949 0.5000023 0.5044853), wk = 0.0021008 k( 157) = ( 0.2300769 0.5000023 0.5044853), wk = 0.0021008 k( 158) = ( 0.2428590 0.5000023 0.5044853), wk = 0.0021008 k( 159) = ( 0.2556410 0.5000023 0.5044853), wk = 0.0021008 k( 160) = ( 0.2684231 0.5000023 0.5044853), wk = 0.0021008 k( 161) = ( 0.2812052 0.5000023 0.5044853), wk = 0.0021008 k( 162) = ( 0.2939872 0.5000023 0.5044853), wk = 0.0021008 k( 163) = ( 0.3067693 0.5000023 0.5044853), wk = 0.0021008 k( 164) = ( 0.3195513 0.5000023 0.5044853), wk = 0.0021008 k( 165) = ( 0.3323334 0.5000023 0.5044853), wk = 0.0021008 k( 166) = ( 0.3451154 0.5000023 0.5044853), wk = 0.0021008 k( 167) = ( 0.3578975 0.5000023 0.5044853), wk = 0.0021008 k( 168) = ( 0.3706795 0.5000023 0.5044853), wk = 0.0021008 k( 169) = ( 0.3834616 0.5000023 0.5044853), wk = 0.0021008 k( 170) = ( 0.3962436 0.5000023 0.5044853), wk = 0.0021008 k( 171) = ( 0.4090257 0.5000023 0.5044853), wk = 0.0021008 k( 172) = ( 0.4218077 0.5000023 0.5044853), wk = 0.0021008 k( 173) = ( 0.4345898 0.5000023 0.5044853), wk = 0.0021008 k( 174) = ( 0.4473718 0.5000023 0.5044853), wk = 0.0021008 k( 175) = ( 0.4601539 0.5000023 0.5044853), wk = 0.0021008 k( 176) = ( 0.4729359 0.5000023 0.5044853), wk = 0.0021008 k( 177) = ( 0.4857180 0.5000023 0.5044853), wk = 0.0021008 k( 178) = ( 0.4985000 0.5000023 0.5044853), wk = 0.0021008 k( 179) = ( 0.4985000 0.5000023 0.5044853), wk = 0.0021008 k( 180) = ( 0.4895983 0.4910737 0.5044853), wk = 0.0021008 k( 181) = ( 0.4806965 0.4821450 0.5044853), wk = 0.0021008 k( 182) = ( 0.4717947 0.4732164 0.5044853), wk = 0.0021008 k( 183) = ( 0.4628929 0.4642878 0.5044853), wk = 0.0021008 k( 184) = ( 0.4539911 0.4553592 0.5044853), wk = 0.0021008 k( 185) = ( 0.4450893 0.4464306 0.5044853), wk = 0.0021008 k( 186) = ( 0.4361875 0.4375020 0.5044853), wk = 0.0021008 k( 187) = ( 0.4272858 0.4285734 0.5044853), wk = 0.0021008 k( 188) = ( 0.4183840 0.4196448 0.5044853), wk = 0.0021008 k( 189) = ( 0.4094822 0.4107161 0.5044853), wk = 0.0021008 k( 190) = ( 0.4005804 0.4017875 0.5044853), wk = 0.0021008 k( 191) = ( 0.3916786 0.3928589 0.5044853), wk = 0.0021008 k( 192) = ( 0.3827768 0.3839303 0.5044853), wk = 0.0021008 k( 193) = ( 0.3738750 0.3750017 0.5044853), wk = 0.0021008 k( 194) = ( 0.3649733 0.3660731 0.5044853), wk = 0.0021008 k( 195) = ( 0.3560715 0.3571445 0.5044853), wk = 0.0021008 k( 196) = ( 0.3471697 0.3482159 0.5044853), wk = 0.0021008 k( 197) = ( 0.3382679 0.3392873 0.5044853), wk = 0.0021008 k( 198) = ( 0.3293661 0.3303586 0.5044853), wk = 0.0021008 k( 199) = ( 0.3204643 0.3214300 0.5044853), wk = 0.0021008 k( 200) = ( 0.3115625 0.3125014 0.5044853), wk = 0.0021008 k( 201) = ( 0.3026607 0.3035728 0.5044853), wk = 0.0021008 k( 202) = ( 0.2937590 0.2946442 0.5044853), wk = 0.0021008 k( 203) = ( 0.2848572 0.2857156 0.5044853), wk = 0.0021008 k( 204) = ( 0.2759554 0.2767870 0.5044853), wk = 0.0021008 k( 205) = ( 0.2670536 0.2678584 0.5044853), wk = 0.0021008 k( 206) = ( 0.2581518 0.2589297 0.5044853), wk = 0.0021008 k( 207) = ( 0.2492500 0.2500011 0.5044853), wk = 0.0021008 k( 208) = ( 0.2403482 0.2410725 0.5044853), wk = 0.0021008 k( 209) = ( 0.2314464 0.2321439 0.5044853), wk = 0.0021008 k( 210) = ( 0.2225447 0.2232153 0.5044853), wk = 0.0021008 k( 211) = ( 0.2136429 0.2142867 0.5044853), wk = 0.0021008 k( 212) = ( 0.2047411 0.2053581 0.5044853), wk = 0.0021008 k( 213) = ( 0.1958393 0.1964295 0.5044853), wk = 0.0021008 k( 214) = ( 0.1869375 0.1875009 0.5044853), wk = 0.0021008 k( 215) = ( 0.1780357 0.1785722 0.5044853), wk = 0.0021008 k( 216) = ( 0.1691339 0.1696436 0.5044853), wk = 0.0021008 k( 217) = ( 0.1602322 0.1607150 0.5044853), wk = 0.0021008 k( 218) = ( 0.1513304 0.1517864 0.5044853), wk = 0.0021008 k( 219) = ( 0.1424286 0.1428578 0.5044853), wk = 0.0021008 k( 220) = ( 0.1335268 0.1339292 0.5044853), wk = 0.0021008 k( 221) = ( 0.1246250 0.1250006 0.5044853), wk = 0.0021008 k( 222) = ( 0.1157232 0.1160719 0.5044853), wk = 0.0021008 k( 223) = ( 0.1068214 0.1071433 0.5044853), wk = 0.0021008 k( 224) = ( 0.0979196 0.0982147 0.5044853), wk = 0.0021008 k( 225) = ( 0.0890179 0.0892861 0.5044853), wk = 0.0021008 k( 226) = ( 0.0801161 0.0803575 0.5044853), wk = 0.0021008 k( 227) = ( 0.0712143 0.0714289 0.5044853), wk = 0.0021008 k( 228) = ( 0.0623125 0.0625003 0.5044853), wk = 0.0021008 k( 229) = ( 0.0534107 0.0535717 0.5044853), wk = 0.0021008 k( 230) = ( 0.0445089 0.0446431 0.5044853), wk = 0.0021008 k( 231) = ( 0.0356071 0.0357145 0.5044853), wk = 0.0021008 k( 232) = ( 0.0267054 0.0267858 0.5044853), wk = 0.0021008 k( 233) = ( 0.0178036 0.0178572 0.5044853), wk = 0.0021008 k( 234) = ( 0.0089018 0.0089286 0.5044853), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5044853), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5044853), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4918731), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4792610), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4666489), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4540367), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4414246), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4288125), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4162003), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4035882), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3909761), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3783639), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3657518), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3531397), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3405275), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3279154), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3153033), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3026912), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2900790), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2774669), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2648548), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2522426), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2396305), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2270184), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2144062), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2017941), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1891820), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1765698), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1639577), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1513456), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1387334), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1261213), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1135092), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1008971), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0882849), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0756728), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0630607), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0504485), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0378364), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0252243), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0126121), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089017 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178035 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267052 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0356070 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0445087 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0534105 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0623122 0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0712140 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0801157 0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0890175 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0979192 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1068210 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1157227 0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1246244 0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1335262 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1424279 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1513297 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1602314 0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1691332 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1780349 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1869367 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1958384 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2047402 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2136419 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2225437 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2314454 0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2403471 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2492489 0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2581506 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2670524 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2759541 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2848559 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2937576 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3026594 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3115611 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3204629 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3293646 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3382664 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3471681 0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3560699 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3649716 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3738733 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3827751 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3916768 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4005786 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4094803 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4183821 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4272838 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4361856 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4450873 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4539891 0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4628908 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4717926 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4806943 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4895960 0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4984978 0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4984978 0.0000000), wk = 0.0021008 k( 335) = ( -0.4985000 0.5000023 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4985000 0.5000023 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4985000 0.5000023 0.0126121), wk = 0.0021008 k( 338) = ( -0.4985000 0.5000023 0.0252243), wk = 0.0021008 k( 339) = ( -0.4985000 0.5000023 0.0378364), wk = 0.0021008 k( 340) = ( -0.4985000 0.5000023 0.0504485), wk = 0.0021008 k( 341) = ( -0.4985000 0.5000023 0.0630607), wk = 0.0021008 k( 342) = ( -0.4985000 0.5000023 0.0756728), wk = 0.0021008 k( 343) = ( -0.4985000 0.5000023 0.0882849), wk = 0.0021008 k( 344) = ( -0.4985000 0.5000023 0.1008971), wk = 0.0021008 k( 345) = ( -0.4985000 0.5000023 0.1135092), wk = 0.0021008 k( 346) = ( -0.4985000 0.5000023 0.1261213), wk = 0.0021008 k( 347) = ( -0.4985000 0.5000023 0.1387334), wk = 0.0021008 k( 348) = ( -0.4985000 0.5000023 0.1513456), wk = 0.0021008 k( 349) = ( -0.4985000 0.5000023 0.1639577), wk = 0.0021008 k( 350) = ( -0.4985000 0.5000023 0.1765698), wk = 0.0021008 k( 351) = ( -0.4985000 0.5000023 0.1891820), wk = 0.0021008 k( 352) = ( -0.4985000 0.5000023 0.2017941), wk = 0.0021008 k( 353) = ( -0.4985000 0.5000023 0.2144062), wk = 0.0021008 k( 354) = ( -0.4985000 0.5000023 0.2270184), wk = 0.0021008 k( 355) = ( -0.4985000 0.5000023 0.2396305), wk = 0.0021008 k( 356) = ( -0.4985000 0.5000023 0.2522426), wk = 0.0021008 k( 357) = ( -0.4985000 0.5000023 0.2648548), wk = 0.0021008 k( 358) = ( -0.4985000 0.5000023 0.2774669), wk = 0.0021008 k( 359) = ( -0.4985000 0.5000023 0.2900790), wk = 0.0021008 k( 360) = ( -0.4985000 0.5000023 0.3026912), wk = 0.0021008 k( 361) = ( -0.4985000 0.5000023 0.3153033), wk = 0.0021008 k( 362) = ( -0.4985000 0.5000023 0.3279154), wk = 0.0021008 k( 363) = ( -0.4985000 0.5000023 0.3405275), wk = 0.0021008 k( 364) = ( -0.4985000 0.5000023 0.3531397), wk = 0.0021008 k( 365) = ( -0.4985000 0.5000023 0.3657518), wk = 0.0021008 k( 366) = ( -0.4985000 0.5000023 0.3783639), wk = 0.0021008 k( 367) = ( -0.4985000 0.5000023 0.3909761), wk = 0.0021008 k( 368) = ( -0.4985000 0.5000023 0.4035882), wk = 0.0021008 k( 369) = ( -0.4985000 0.5000023 0.4162003), wk = 0.0021008 k( 370) = ( -0.4985000 0.5000023 0.4288125), wk = 0.0021008 k( 371) = ( -0.4985000 0.5000023 0.4414246), wk = 0.0021008 k( 372) = ( -0.4985000 0.5000023 0.4540367), wk = 0.0021008 k( 373) = ( -0.4985000 0.5000023 0.4666489), wk = 0.0021008 k( 374) = ( -0.4985000 0.5000023 0.4792610), wk = 0.0021008 k( 375) = ( -0.4985000 0.5000023 0.4918731), wk = 0.0021008 k( 376) = ( -0.4985000 0.5000023 0.5044853), wk = 0.0021008 k( 377) = ( -0.4985000 0.5000023 0.5044853), wk = 0.0021008 k( 378) = ( -0.5000000 0.4984978 0.5044853), wk = 0.0021008 k( 379) = ( -0.5000000 0.4984978 0.5044853), wk = 0.0021008 k( 380) = ( -0.5000000 0.4984978 0.4918731), wk = 0.0021008 k( 381) = ( -0.5000000 0.4984978 0.4792610), wk = 0.0021008 k( 382) = ( -0.5000000 0.4984978 0.4666489), wk = 0.0021008 k( 383) = ( -0.5000000 0.4984978 0.4540367), wk = 0.0021008 k( 384) = ( -0.5000000 0.4984978 0.4414246), wk = 0.0021008 k( 385) = ( -0.5000000 0.4984978 0.4288125), wk = 0.0021008 k( 386) = ( -0.5000000 0.4984978 0.4162003), wk = 0.0021008 k( 387) = ( -0.5000000 0.4984978 0.4035882), wk = 0.0021008 k( 388) = ( -0.5000000 0.4984978 0.3909761), wk = 0.0021008 k( 389) = ( -0.5000000 0.4984978 0.3783639), wk = 0.0021008 k( 390) = ( -0.5000000 0.4984978 0.3657518), wk = 0.0021008 k( 391) = ( -0.5000000 0.4984978 0.3531397), wk = 0.0021008 k( 392) = ( -0.5000000 0.4984978 0.3405275), wk = 0.0021008 k( 393) = ( -0.5000000 0.4984978 0.3279154), wk = 0.0021008 k( 394) = ( -0.5000000 0.4984978 0.3153033), wk = 0.0021008 k( 395) = ( -0.5000000 0.4984978 0.3026912), wk = 0.0021008 k( 396) = ( -0.5000000 0.4984978 0.2900790), wk = 0.0021008 k( 397) = ( -0.5000000 0.4984978 0.2774669), wk = 0.0021008 k( 398) = ( -0.5000000 0.4984978 0.2648548), wk = 0.0021008 k( 399) = ( -0.5000000 0.4984978 0.2522426), wk = 0.0021008 k( 400) = ( -0.5000000 0.4984978 0.2396305), wk = 0.0021008 k( 401) = ( -0.5000000 0.4984978 0.2270184), wk = 0.0021008 k( 402) = ( -0.5000000 0.4984978 0.2144062), wk = 0.0021008 k( 403) = ( -0.5000000 0.4984978 0.2017941), wk = 0.0021008 k( 404) = ( -0.5000000 0.4984978 0.1891820), wk = 0.0021008 k( 405) = ( -0.5000000 0.4984978 0.1765698), wk = 0.0021008 k( 406) = ( -0.5000000 0.4984978 0.1639577), wk = 0.0021008 k( 407) = ( -0.5000000 0.4984978 0.1513456), wk = 0.0021008 k( 408) = ( -0.5000000 0.4984978 0.1387334), wk = 0.0021008 k( 409) = ( -0.5000000 0.4984978 0.1261213), wk = 0.0021008 k( 410) = ( -0.5000000 0.4984978 0.1135092), wk = 0.0021008 k( 411) = ( -0.5000000 0.4984978 0.1008971), wk = 0.0021008 k( 412) = ( -0.5000000 0.4984978 0.0882849), wk = 0.0021008 k( 413) = ( -0.5000000 0.4984978 0.0756728), wk = 0.0021008 k( 414) = ( -0.5000000 0.4984978 0.0630607), wk = 0.0021008 k( 415) = ( -0.5000000 0.4984978 0.0504485), wk = 0.0021008 k( 416) = ( -0.5000000 0.4984978 0.0378364), wk = 0.0021008 k( 417) = ( -0.5000000 0.4984978 0.0252243), wk = 0.0021008 k( 418) = ( -0.5000000 0.4984978 0.0126121), wk = 0.0021008 k( 419) = ( -0.5000000 0.4984978 0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5044853), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089017 0.5044853), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178035 0.5044853), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267052 0.5044853), wk = 0.0021008 k( 424) = ( -0.0357143 0.0356070 0.5044853), wk = 0.0021008 k( 425) = ( -0.0446429 0.0445087 0.5044853), wk = 0.0021008 k( 426) = ( -0.0535714 0.0534105 0.5044853), wk = 0.0021008 k( 427) = ( -0.0625000 0.0623122 0.5044853), wk = 0.0021008 k( 428) = ( -0.0714286 0.0712140 0.5044853), wk = 0.0021008 k( 429) = ( -0.0803571 0.0801157 0.5044853), wk = 0.0021008 k( 430) = ( -0.0892857 0.0890175 0.5044853), wk = 0.0021008 k( 431) = ( -0.0982143 0.0979192 0.5044853), wk = 0.0021008 k( 432) = ( -0.1071429 0.1068210 0.5044853), wk = 0.0021008 k( 433) = ( -0.1160714 0.1157227 0.5044853), wk = 0.0021008 k( 434) = ( -0.1250000 0.1246244 0.5044853), wk = 0.0021008 k( 435) = ( -0.1339286 0.1335262 0.5044853), wk = 0.0021008 k( 436) = ( -0.1428571 0.1424279 0.5044853), wk = 0.0021008 k( 437) = ( -0.1517857 0.1513297 0.5044853), wk = 0.0021008 k( 438) = ( -0.1607143 0.1602314 0.5044853), wk = 0.0021008 k( 439) = ( -0.1696429 0.1691332 0.5044853), wk = 0.0021008 k( 440) = ( -0.1785714 0.1780349 0.5044853), wk = 0.0021008 k( 441) = ( -0.1875000 0.1869367 0.5044853), wk = 0.0021008 k( 442) = ( -0.1964286 0.1958384 0.5044853), wk = 0.0021008 k( 443) = ( -0.2053571 0.2047402 0.5044853), wk = 0.0021008 k( 444) = ( -0.2142857 0.2136419 0.5044853), wk = 0.0021008 k( 445) = ( -0.2232143 0.2225437 0.5044853), wk = 0.0021008 k( 446) = ( -0.2321429 0.2314454 0.5044853), wk = 0.0021008 k( 447) = ( -0.2410714 0.2403471 0.5044853), wk = 0.0021008 k( 448) = ( -0.2500000 0.2492489 0.5044853), wk = 0.0021008 k( 449) = ( -0.2589286 0.2581506 0.5044853), wk = 0.0021008 k( 450) = ( -0.2678571 0.2670524 0.5044853), wk = 0.0021008 k( 451) = ( -0.2767857 0.2759541 0.5044853), wk = 0.0021008 k( 452) = ( -0.2857143 0.2848559 0.5044853), wk = 0.0021008 k( 453) = ( -0.2946429 0.2937576 0.5044853), wk = 0.0021008 k( 454) = ( -0.3035714 0.3026594 0.5044853), wk = 0.0021008 k( 455) = ( -0.3125000 0.3115611 0.5044853), wk = 0.0021008 k( 456) = ( -0.3214286 0.3204629 0.5044853), wk = 0.0021008 k( 457) = ( -0.3303571 0.3293646 0.5044853), wk = 0.0021008 k( 458) = ( -0.3392857 0.3382664 0.5044853), wk = 0.0021008 k( 459) = ( -0.3482143 0.3471681 0.5044853), wk = 0.0021008 k( 460) = ( -0.3571429 0.3560699 0.5044853), wk = 0.0021008 k( 461) = ( -0.3660714 0.3649716 0.5044853), wk = 0.0021008 k( 462) = ( -0.3750000 0.3738733 0.5044853), wk = 0.0021008 k( 463) = ( -0.3839286 0.3827751 0.5044853), wk = 0.0021008 k( 464) = ( -0.3928571 0.3916768 0.5044853), wk = 0.0021008 k( 465) = ( -0.4017857 0.4005786 0.5044853), wk = 0.0021008 k( 466) = ( -0.4107143 0.4094803 0.5044853), wk = 0.0021008 k( 467) = ( -0.4196429 0.4183821 0.5044853), wk = 0.0021008 k( 468) = ( -0.4285714 0.4272838 0.5044853), wk = 0.0021008 k( 469) = ( -0.4375000 0.4361856 0.5044853), wk = 0.0021008 k( 470) = ( -0.4464286 0.4450873 0.5044853), wk = 0.0021008 k( 471) = ( -0.4553571 0.4539891 0.5044853), wk = 0.0021008 k( 472) = ( -0.4642857 0.4628908 0.5044853), wk = 0.0021008 k( 473) = ( -0.4732143 0.4717926 0.5044853), wk = 0.0021008 k( 474) = ( -0.4821429 0.4806943 0.5044853), wk = 0.0021008 k( 475) = ( -0.4910714 0.4895960 0.5044853), wk = 0.0021008 k( 476) = ( -0.5000000 0.4984978 0.5044853), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089018 0.0089018 0.0000000), wk = 0.0021008 k( 3) = ( 0.0178036 0.0178036 0.0000000), wk = 0.0021008 k( 4) = ( 0.0267054 0.0267054 0.0000000), wk = 0.0021008 k( 5) = ( 0.0356071 0.0356072 0.0000000), wk = 0.0021008 k( 6) = ( 0.0445089 0.0445089 0.0000000), wk = 0.0021008 k( 7) = ( 0.0534107 0.0534107 0.0000000), wk = 0.0021008 k( 8) = ( 0.0623125 0.0623125 0.0000000), wk = 0.0021008 k( 9) = ( 0.0712143 0.0712143 0.0000000), wk = 0.0021008 k( 10) = ( 0.0801161 0.0801161 0.0000000), wk = 0.0021008 k( 11) = ( 0.0890179 0.0890179 0.0000000), wk = 0.0021008 k( 12) = ( 0.0979196 0.0979197 0.0000000), wk = 0.0021008 k( 13) = ( 0.1068214 0.1068214 0.0000000), wk = 0.0021008 k( 14) = ( 0.1157232 0.1157232 0.0000000), wk = 0.0021008 k( 15) = ( 0.1246250 0.1246250 0.0000000), wk = 0.0021008 k( 16) = ( 0.1335268 0.1335268 0.0000000), wk = 0.0021008 k( 17) = ( 0.1424286 0.1424286 0.0000000), wk = 0.0021008 k( 18) = ( 0.1513304 0.1513304 0.0000000), wk = 0.0021008 k( 19) = ( 0.1602322 0.1602322 0.0000000), wk = 0.0021008 k( 20) = ( 0.1691339 0.1691339 0.0000000), wk = 0.0021008 k( 21) = ( 0.1780357 0.1780357 0.0000000), wk = 0.0021008 k( 22) = ( 0.1869375 0.1869375 0.0000000), wk = 0.0021008 k( 23) = ( 0.1958393 0.1958393 0.0000000), wk = 0.0021008 k( 24) = ( 0.2047411 0.2047411 0.0000000), wk = 0.0021008 k( 25) = ( 0.2136429 0.2136429 0.0000000), wk = 0.0021008 k( 26) = ( 0.2225447 0.2225447 0.0000000), wk = 0.0021008 k( 27) = ( 0.2314464 0.2314464 0.0000000), wk = 0.0021008 k( 28) = ( 0.2403482 0.2403482 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2492500 0.2492500 0.0000000), wk = 0.0021008 k( 30) = ( 0.2581518 0.2581518 0.0000000), wk = 0.0021008 k( 31) = ( 0.2670536 0.2670536 0.0000000), wk = 0.0021008 k( 32) = ( 0.2759554 0.2759554 0.0000000), wk = 0.0021008 k( 33) = ( 0.2848572 0.2848572 0.0000000), wk = 0.0021008 k( 34) = ( 0.2937590 0.2937590 0.0000000), wk = 0.0021008 k( 35) = ( 0.3026607 0.3026607 0.0000000), wk = 0.0021008 k( 36) = ( 0.3115625 0.3115625 0.0000000), wk = 0.0021008 k( 37) = ( 0.3204643 0.3204643 0.0000000), wk = 0.0021008 k( 38) = ( 0.3293661 0.3293661 0.0000000), wk = 0.0021008 k( 39) = ( 0.3382679 0.3382679 0.0000000), wk = 0.0021008 k( 40) = ( 0.3471697 0.3471697 0.0000000), wk = 0.0021008 k( 41) = ( 0.3560715 0.3560715 0.0000000), wk = 0.0021008 k( 42) = ( 0.3649733 0.3649733 0.0000000), wk = 0.0021008 k( 43) = ( 0.3738750 0.3738750 0.0000000), wk = 0.0021008 k( 44) = ( 0.3827768 0.3827768 0.0000000), wk = 0.0021008 k( 45) = ( 0.3916786 0.3916786 0.0000000), wk = 0.0021008 k( 46) = ( 0.4005804 0.4005804 0.0000000), wk = 0.0021008 k( 47) = ( 0.4094822 0.4094822 0.0000000), wk = 0.0021008 k( 48) = ( 0.4183840 0.4183840 0.0000000), wk = 0.0021008 k( 49) = ( 0.4272858 0.4272858 0.0000000), wk = 0.0021008 k( 50) = ( 0.4361875 0.4361875 0.0000000), wk = 0.0021008 k( 51) = ( 0.4450893 0.4450893 0.0000000), wk = 0.0021008 k( 52) = ( 0.4539911 0.4539911 0.0000000), wk = 0.0021008 k( 53) = ( 0.4628929 0.4628929 0.0000000), wk = 0.0021008 k( 54) = ( 0.4717947 0.4717947 0.0000000), wk = 0.0021008 k( 55) = ( 0.4806965 0.4806965 0.0000000), wk = 0.0021008 k( 56) = ( 0.4895983 0.4895983 0.0000000), wk = 0.0021008 k( 57) = ( 0.4985000 0.4985000 0.0000000), wk = 0.0021008 k( 58) = ( 0.4985000 0.4985000 0.0000000), wk = 0.0021008 k( 59) = ( 0.4857180 0.4985385 0.0000000), wk = 0.0021008 k( 60) = ( 0.4729359 0.4985770 0.0000000), wk = 0.0021008 k( 61) = ( 0.4601539 0.4986154 0.0000000), wk = 0.0021008 k( 62) = ( 0.4473718 0.4986539 0.0000000), wk = 0.0021008 k( 63) = ( 0.4345898 0.4986924 0.0000000), wk = 0.0021008 k( 64) = ( 0.4218077 0.4987308 0.0000000), wk = 0.0021008 k( 65) = ( 0.4090257 0.4987693 0.0000000), wk = 0.0021008 k( 66) = ( 0.3962436 0.4988077 0.0000000), wk = 0.0021008 k( 67) = ( 0.3834616 0.4988462 0.0000000), wk = 0.0021008 k( 68) = ( 0.3706795 0.4988847 0.0000000), wk = 0.0021008 k( 69) = ( 0.3578975 0.4989231 0.0000000), wk = 0.0021008 k( 70) = ( 0.3451154 0.4989616 0.0000000), wk = 0.0021008 k( 71) = ( 0.3323334 0.4990000 0.0000000), wk = 0.0021008 k( 72) = ( 0.3195513 0.4990385 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3067693 0.4990769 0.0000000), wk = 0.0021008 k( 74) = ( 0.2939872 0.4991154 0.0000000), wk = 0.0021008 k( 75) = ( 0.2812052 0.4991539 0.0000000), wk = 0.0021008 k( 76) = ( 0.2684231 0.4991923 0.0000000), wk = 0.0021008 k( 77) = ( 0.2556410 0.4992308 0.0000000), wk = 0.0021008 k( 78) = ( 0.2428590 0.4992693 0.0000000), wk = 0.0021008 k( 79) = ( 0.2300769 0.4993077 0.0000000), wk = 0.0021008 k( 80) = ( 0.2172949 0.4993462 0.0000000), wk = 0.0021008 k( 81) = ( 0.2045128 0.4993846 0.0000000), wk = 0.0021008 k( 82) = ( 0.1917308 0.4994231 0.0000000), wk = 0.0021008 k( 83) = ( 0.1789487 0.4994615 0.0000000), wk = 0.0021008 k( 84) = ( 0.1661667 0.4995000 0.0000000), wk = 0.0021008 k( 85) = ( 0.1533846 0.4995385 0.0000000), wk = 0.0021008 k( 86) = ( 0.1406026 0.4995769 0.0000000), wk = 0.0021008 k( 87) = ( 0.1278205 0.4996154 0.0000000), wk = 0.0021008 k( 88) = ( 0.1150385 0.4996539 0.0000000), wk = 0.0021008 k( 89) = ( 0.1022564 0.4996923 0.0000000), wk = 0.0021008 k( 90) = ( 0.0894744 0.4997308 0.0000000), wk = 0.0021008 k( 91) = ( 0.0766923 0.4997692 0.0000000), wk = 0.0021008 k( 92) = ( 0.0639103 0.4998077 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511282 0.4998462 0.0000000), wk = 0.0021008 k( 94) = ( 0.0383462 0.4998846 0.0000000), wk = 0.0021008 k( 95) = ( 0.0255641 0.4999231 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127820 0.4999615 0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 140) = ( 0.0127820 0.4999615 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255641 0.4999231 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383462 0.4998846 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511282 0.4998462 0.5000000), wk = 0.0021008 k( 144) = ( 0.0639103 0.4998077 0.5000000), wk = 0.0021008 k( 145) = ( 0.0766923 0.4997692 0.5000000), wk = 0.0021008 k( 146) = ( 0.0894744 0.4997308 0.5000000), wk = 0.0021008 k( 147) = ( 0.1022564 0.4996923 0.5000000), wk = 0.0021008 k( 148) = ( 0.1150385 0.4996539 0.5000000), wk = 0.0021008 k( 149) = ( 0.1278205 0.4996154 0.5000000), wk = 0.0021008 k( 150) = ( 0.1406026 0.4995769 0.5000000), wk = 0.0021008 k( 151) = ( 0.1533846 0.4995385 0.5000000), wk = 0.0021008 k( 152) = ( 0.1661667 0.4995000 0.5000000), wk = 0.0021008 k( 153) = ( 0.1789487 0.4994615 0.5000000), wk = 0.0021008 k( 154) = ( 0.1917308 0.4994231 0.5000000), wk = 0.0021008 k( 155) = ( 0.2045128 0.4993846 0.5000000), wk = 0.0021008 k( 156) = ( 0.2172949 0.4993462 0.5000000), wk = 0.0021008 k( 157) = ( 0.2300769 0.4993077 0.5000000), wk = 0.0021008 k( 158) = ( 0.2428590 0.4992693 0.5000000), wk = 0.0021008 k( 159) = ( 0.2556410 0.4992308 0.5000000), wk = 0.0021008 k( 160) = ( 0.2684231 0.4991923 0.5000000), wk = 0.0021008 k( 161) = ( 0.2812052 0.4991539 0.5000000), wk = 0.0021008 k( 162) = ( 0.2939872 0.4991154 0.5000000), wk = 0.0021008 k( 163) = ( 0.3067693 0.4990769 0.5000000), wk = 0.0021008 k( 164) = ( 0.3195513 0.4990385 0.5000000), wk = 0.0021008 k( 165) = ( 0.3323334 0.4990000 0.5000000), wk = 0.0021008 k( 166) = ( 0.3451154 0.4989616 0.5000000), wk = 0.0021008 k( 167) = ( 0.3578975 0.4989231 0.5000000), wk = 0.0021008 k( 168) = ( 0.3706795 0.4988847 0.5000000), wk = 0.0021008 k( 169) = ( 0.3834616 0.4988462 0.5000000), wk = 0.0021008 k( 170) = ( 0.3962436 0.4988077 0.5000000), wk = 0.0021008 k( 171) = ( 0.4090257 0.4987693 0.5000000), wk = 0.0021008 k( 172) = ( 0.4218077 0.4987308 0.5000000), wk = 0.0021008 k( 173) = ( 0.4345898 0.4986924 0.5000000), wk = 0.0021008 k( 174) = ( 0.4473718 0.4986539 0.5000000), wk = 0.0021008 k( 175) = ( 0.4601539 0.4986154 0.5000000), wk = 0.0021008 k( 176) = ( 0.4729359 0.4985770 0.5000000), wk = 0.0021008 k( 177) = ( 0.4857180 0.4985385 0.5000000), wk = 0.0021008 k( 178) = ( 0.4985000 0.4985000 0.5000000), wk = 0.0021008 k( 179) = ( 0.4985000 0.4985000 0.5000000), wk = 0.0021008 k( 180) = ( 0.4895983 0.4895983 0.5000000), wk = 0.0021008 k( 181) = ( 0.4806965 0.4806965 0.5000000), wk = 0.0021008 k( 182) = ( 0.4717947 0.4717947 0.5000000), wk = 0.0021008 k( 183) = ( 0.4628929 0.4628929 0.5000000), wk = 0.0021008 k( 184) = ( 0.4539911 0.4539911 0.5000000), wk = 0.0021008 k( 185) = ( 0.4450893 0.4450893 0.5000000), wk = 0.0021008 k( 186) = ( 0.4361875 0.4361875 0.5000000), wk = 0.0021008 k( 187) = ( 0.4272858 0.4272858 0.5000000), wk = 0.0021008 k( 188) = ( 0.4183840 0.4183840 0.5000000), wk = 0.0021008 k( 189) = ( 0.4094822 0.4094822 0.5000000), wk = 0.0021008 k( 190) = ( 0.4005804 0.4005804 0.5000000), wk = 0.0021008 k( 191) = ( 0.3916786 0.3916786 0.5000000), wk = 0.0021008 k( 192) = ( 0.3827768 0.3827768 0.5000000), wk = 0.0021008 k( 193) = ( 0.3738750 0.3738750 0.5000000), wk = 0.0021008 k( 194) = ( 0.3649733 0.3649733 0.5000000), wk = 0.0021008 k( 195) = ( 0.3560715 0.3560715 0.5000000), wk = 0.0021008 k( 196) = ( 0.3471697 0.3471697 0.5000000), wk = 0.0021008 k( 197) = ( 0.3382679 0.3382679 0.5000000), wk = 0.0021008 k( 198) = ( 0.3293661 0.3293661 0.5000000), wk = 0.0021008 k( 199) = ( 0.3204643 0.3204643 0.5000000), wk = 0.0021008 k( 200) = ( 0.3115625 0.3115625 0.5000000), wk = 0.0021008 k( 201) = ( 0.3026607 0.3026607 0.5000000), wk = 0.0021008 k( 202) = ( 0.2937590 0.2937590 0.5000000), wk = 0.0021008 k( 203) = ( 0.2848572 0.2848572 0.5000000), wk = 0.0021008 k( 204) = ( 0.2759554 0.2759554 0.5000000), wk = 0.0021008 k( 205) = ( 0.2670536 0.2670536 0.5000000), wk = 0.0021008 k( 206) = ( 0.2581518 0.2581518 0.5000000), wk = 0.0021008 k( 207) = ( 0.2492500 0.2492500 0.5000000), wk = 0.0021008 k( 208) = ( 0.2403482 0.2403482 0.5000000), wk = 0.0021008 k( 209) = ( 0.2314464 0.2314464 0.5000000), wk = 0.0021008 k( 210) = ( 0.2225447 0.2225447 0.5000000), wk = 0.0021008 k( 211) = ( 0.2136429 0.2136429 0.5000000), wk = 0.0021008 k( 212) = ( 0.2047411 0.2047411 0.5000000), wk = 0.0021008 k( 213) = ( 0.1958393 0.1958393 0.5000000), wk = 0.0021008 k( 214) = ( 0.1869375 0.1869375 0.5000000), wk = 0.0021008 k( 215) = ( 0.1780357 0.1780357 0.5000000), wk = 0.0021008 k( 216) = ( 0.1691339 0.1691339 0.5000000), wk = 0.0021008 k( 217) = ( 0.1602322 0.1602322 0.5000000), wk = 0.0021008 k( 218) = ( 0.1513304 0.1513304 0.5000000), wk = 0.0021008 k( 219) = ( 0.1424286 0.1424286 0.5000000), wk = 0.0021008 k( 220) = ( 0.1335268 0.1335268 0.5000000), wk = 0.0021008 k( 221) = ( 0.1246250 0.1246250 0.5000000), wk = 0.0021008 k( 222) = ( 0.1157232 0.1157232 0.5000000), wk = 0.0021008 k( 223) = ( 0.1068214 0.1068214 0.5000000), wk = 0.0021008 k( 224) = ( 0.0979196 0.0979197 0.5000000), wk = 0.0021008 k( 225) = ( 0.0890179 0.0890179 0.5000000), wk = 0.0021008 k( 226) = ( 0.0801161 0.0801161 0.5000000), wk = 0.0021008 k( 227) = ( 0.0712143 0.0712143 0.5000000), wk = 0.0021008 k( 228) = ( 0.0623125 0.0623125 0.5000000), wk = 0.0021008 k( 229) = ( 0.0534107 0.0534107 0.5000000), wk = 0.0021008 k( 230) = ( 0.0445089 0.0445089 0.5000000), wk = 0.0021008 k( 231) = ( 0.0356071 0.0356072 0.5000000), wk = 0.0021008 k( 232) = ( 0.0267054 0.0267054 0.5000000), wk = 0.0021008 k( 233) = ( 0.0178036 0.0178036 0.5000000), wk = 0.0021008 k( 234) = ( 0.0089018 0.0089018 0.5000000), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0446429 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0982143 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1517857 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2053571 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2232143 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2410714 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2946429 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3303571 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4017857 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4732143 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4985000 0.5015000 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4985000 0.5015000 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4985000 0.5015000 0.0125000), wk = 0.0021008 k( 338) = ( -0.4985000 0.5015000 0.0250000), wk = 0.0021008 k( 339) = ( -0.4985000 0.5015000 0.0375000), wk = 0.0021008 k( 340) = ( -0.4985000 0.5015000 0.0500000), wk = 0.0021008 k( 341) = ( -0.4985000 0.5015000 0.0625000), wk = 0.0021008 k( 342) = ( -0.4985000 0.5015000 0.0750000), wk = 0.0021008 k( 343) = ( -0.4985000 0.5015000 0.0875000), wk = 0.0021008 k( 344) = ( -0.4985000 0.5015000 0.1000000), wk = 0.0021008 k( 345) = ( -0.4985000 0.5015000 0.1125000), wk = 0.0021008 k( 346) = ( -0.4985000 0.5015000 0.1250000), wk = 0.0021008 k( 347) = ( -0.4985000 0.5015000 0.1375000), wk = 0.0021008 k( 348) = ( -0.4985000 0.5015000 0.1500000), wk = 0.0021008 k( 349) = ( -0.4985000 0.5015000 0.1625000), wk = 0.0021008 k( 350) = ( -0.4985000 0.5015000 0.1750000), wk = 0.0021008 k( 351) = ( -0.4985000 0.5015000 0.1875000), wk = 0.0021008 k( 352) = ( -0.4985000 0.5015000 0.2000000), wk = 0.0021008 k( 353) = ( -0.4985000 0.5015000 0.2125000), wk = 0.0021008 k( 354) = ( -0.4985000 0.5015000 0.2250000), wk = 0.0021008 k( 355) = ( -0.4985000 0.5015000 0.2375000), wk = 0.0021008 k( 356) = ( -0.4985000 0.5015000 0.2500000), wk = 0.0021008 k( 357) = ( -0.4985000 0.5015000 0.2625000), wk = 0.0021008 k( 358) = ( -0.4985000 0.5015000 0.2750000), wk = 0.0021008 k( 359) = ( -0.4985000 0.5015000 0.2875000), wk = 0.0021008 k( 360) = ( -0.4985000 0.5015000 0.3000000), wk = 0.0021008 k( 361) = ( -0.4985000 0.5015000 0.3125000), wk = 0.0021008 k( 362) = ( -0.4985000 0.5015000 0.3250000), wk = 0.0021008 k( 363) = ( -0.4985000 0.5015000 0.3375000), wk = 0.0021008 k( 364) = ( -0.4985000 0.5015000 0.3500000), wk = 0.0021008 k( 365) = ( -0.4985000 0.5015000 0.3625000), wk = 0.0021008 k( 366) = ( -0.4985000 0.5015000 0.3750000), wk = 0.0021008 k( 367) = ( -0.4985000 0.5015000 0.3875000), wk = 0.0021008 k( 368) = ( -0.4985000 0.5015000 0.4000000), wk = 0.0021008 k( 369) = ( -0.4985000 0.5015000 0.4125000), wk = 0.0021008 k( 370) = ( -0.4985000 0.5015000 0.4250000), wk = 0.0021008 k( 371) = ( -0.4985000 0.5015000 0.4375000), wk = 0.0021008 k( 372) = ( -0.4985000 0.5015000 0.4500000), wk = 0.0021008 k( 373) = ( -0.4985000 0.5015000 0.4625000), wk = 0.0021008 k( 374) = ( -0.4985000 0.5015000 0.4750000), wk = 0.0021008 k( 375) = ( -0.4985000 0.5015000 0.4875000), wk = 0.0021008 k( 376) = ( -0.4985000 0.5015000 0.5000000), wk = 0.0021008 k( 377) = ( -0.4985000 0.5015000 0.5000000), wk = 0.0021008 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 379) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 380) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0021008 k( 381) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0021008 k( 382) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0021008 k( 383) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0021008 k( 384) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0021008 k( 385) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0021008 k( 386) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0021008 k( 387) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021008 k( 388) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0021008 k( 389) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021008 k( 390) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0021008 k( 391) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0021008 k( 392) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0021008 k( 393) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0021008 k( 394) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0021008 k( 395) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021008 k( 396) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0021008 k( 397) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0021008 k( 398) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0021008 k( 399) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021008 k( 400) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0021008 k( 401) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0021008 k( 402) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0021008 k( 403) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021008 k( 404) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0021008 k( 405) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0021008 k( 406) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0021008 k( 407) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0021008 k( 408) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0021008 k( 409) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021008 k( 410) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0021008 k( 411) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021008 k( 412) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0021008 k( 413) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0021008 k( 414) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0021008 k( 415) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0021008 k( 416) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0021008 k( 417) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0021008 k( 418) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0021008 k( 419) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0021008 k( 424) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0021008 k( 425) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0021008 k( 426) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0021008 k( 427) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0021008 k( 428) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0021008 k( 429) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0021008 k( 430) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0021008 k( 431) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0021008 k( 432) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0021008 k( 433) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0021008 k( 434) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021008 k( 435) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0021008 k( 436) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0021008 k( 437) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0021008 k( 438) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0021008 k( 439) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0021008 k( 440) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0021008 k( 441) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0021008 k( 442) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0021008 k( 443) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0021008 k( 444) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0021008 k( 445) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0021008 k( 446) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0021008 k( 447) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0021008 k( 448) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021008 k( 449) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0021008 k( 450) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0021008 k( 451) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0021008 k( 452) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0021008 k( 453) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0021008 k( 454) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0021008 k( 455) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0021008 k( 456) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0021008 k( 457) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0021008 k( 458) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0021008 k( 459) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0021008 k( 460) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0021008 k( 461) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0021008 k( 462) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021008 k( 463) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0021008 k( 464) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0021008 k( 465) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0021008 k( 466) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0021008 k( 467) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0021008 k( 468) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0021008 k( 469) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0021008 k( 470) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0021008 k( 471) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0021008 k( 472) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0021008 k( 473) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0021008 k( 474) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0021008 k( 475) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0021008 k( 476) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 101193 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22019 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 122, 48) NL pseudopotentials 0.10 Mb ( 61, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1001) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 122, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.9 secs Computing kpt #: 3 total cpu time spent up to now is 52.0 secs Computing kpt #: 4 total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 57.9 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.0 secs Computing kpt #: 7 total cpu time spent up to now is 63.7 secs Computing kpt #: 8 total cpu time spent up to now is 65.5 secs Computing kpt #: 9 total cpu time spent up to now is 67.9 secs Computing kpt #: 10 total cpu time spent up to now is 69.6 secs Computing kpt #: 11 total cpu time spent up to now is 71.1 secs Computing kpt #: 12 total cpu time spent up to now is 72.4 secs Computing kpt #: 13 total cpu time spent up to now is 74.2 secs Computing kpt #: 14 total cpu time spent up to now is 76.2 secs Computing kpt #: 15 total cpu time spent up to now is 77.5 secs Computing kpt #: 16 total cpu time spent up to now is 78.8 secs Computing kpt #: 17 total cpu time spent up to now is 80.1 secs Computing kpt #: 18 total cpu time spent up to now is 81.4 secs Computing kpt #: 19 total cpu time spent up to now is 82.7 secs Computing kpt #: 20 total cpu time spent up to now is 83.9 secs Computing kpt #: 21 total cpu time spent up to now is 85.3 secs Computing kpt #: 22 total cpu time spent up to now is 86.6 secs Computing kpt #: 23 total cpu time spent up to now is 88.2 secs Computing kpt #: 24 total cpu time spent up to now is 89.5 secs Computing kpt #: 25 total cpu time spent up to now is 90.7 secs Computing kpt #: 26 total cpu time spent up to now is 92.0 secs Computing kpt #: 27 total cpu time spent up to now is 93.2 secs Computing kpt #: 28 total cpu time spent up to now is 94.5 secs Computing kpt #: 29 total cpu time spent up to now is 95.7 secs Computing kpt #: 30 total cpu time spent up to now is 97.0 secs Computing kpt #: 31 total cpu time spent up to now is 98.4 secs Computing kpt #: 32 total cpu time spent up to now is 99.6 secs Computing kpt #: 33 total cpu time spent up to now is 101.0 secs Computing kpt #: 34 total cpu time spent up to now is 102.2 secs Computing kpt #: 35 total cpu time spent up to now is 103.4 secs Computing kpt #: 36 total cpu time spent up to now is 104.6 secs Computing kpt #: 37 total cpu time spent up to now is 106.0 secs Computing kpt #: 38 total cpu time spent up to now is 107.1 secs Computing kpt #: 39 total cpu time spent up to now is 108.5 secs Computing kpt #: 40 total cpu time spent up to now is 109.7 secs Computing kpt #: 41 total cpu time spent up to now is 111.0 secs Computing kpt #: 42 total cpu time spent up to now is 112.4 secs Computing kpt #: 43 total cpu time spent up to now is 113.7 secs Computing kpt #: 44 total cpu time spent up to now is 115.0 secs Computing kpt #: 45 total cpu time spent up to now is 116.4 secs Computing kpt #: 46 total cpu time spent up to now is 117.6 secs Computing kpt #: 47 total cpu time spent up to now is 118.6 secs Computing kpt #: 48 total cpu time spent up to now is 119.8 secs Computing kpt #: 49 total cpu time spent up to now is 120.8 secs Computing kpt #: 50 total cpu time spent up to now is 121.9 secs Computing kpt #: 51 total cpu time spent up to now is 122.9 secs Computing kpt #: 52 total cpu time spent up to now is 123.9 secs Computing kpt #: 53 total cpu time spent up to now is 125.0 secs Computing kpt #: 54 total cpu time spent up to now is 126.0 secs Computing kpt #: 55 total cpu time spent up to now is 127.1 secs Computing kpt #: 56 total cpu time spent up to now is 128.2 secs Computing kpt #: 57 total cpu time spent up to now is 129.2 secs Computing kpt #: 58 total cpu time spent up to now is 130.3 secs Computing kpt #: 59 total cpu time spent up to now is 131.4 secs Computing kpt #: 60 total cpu time spent up to now is 132.5 secs Computing kpt #: 61 total cpu time spent up to now is 133.5 secs Computing kpt #: 62 total cpu time spent up to now is 134.5 secs Computing kpt #: 63 total cpu time spent up to now is 135.5 secs Computing kpt #: 64 total cpu time spent up to now is 136.5 secs Computing kpt #: 65 total cpu time spent up to now is 137.9 secs Computing kpt #: 66 total cpu time spent up to now is 139.8 secs Computing kpt #: 67 total cpu time spent up to now is 141.5 secs Computing kpt #: 68 total cpu time spent up to now is 143.2 secs Computing kpt #: 69 total cpu time spent up to now is 144.6 secs Computing kpt #: 70 total cpu time spent up to now is 145.8 secs Computing kpt #: 71 total cpu time spent up to now is 147.0 secs Computing kpt #: 72 total cpu time spent up to now is 148.2 secs Computing kpt #: 73 total cpu time spent up to now is 149.5 secs Computing kpt #: 74 total cpu time spent up to now is 150.8 secs Computing kpt #: 75 total cpu time spent up to now is 152.1 secs Computing kpt #: 76 total cpu time spent up to now is 153.5 secs Computing kpt #: 77 total cpu time spent up to now is 154.8 secs Computing kpt #: 78 total cpu time spent up to now is 156.0 secs Computing kpt #: 79 total cpu time spent up to now is 157.2 secs Computing kpt #: 80 total cpu time spent up to now is 158.4 secs Computing kpt #: 81 total cpu time spent up to now is 159.6 secs Computing kpt #: 82 total cpu time spent up to now is 161.0 secs Computing kpt #: 83 total cpu time spent up to now is 162.2 secs Computing kpt #: 84 total cpu time spent up to now is 163.6 secs Computing kpt #: 85 total cpu time spent up to now is 164.8 secs Computing kpt #: 86 total cpu time spent up to now is 166.0 secs Computing kpt #: 87 total cpu time spent up to now is 167.2 secs Computing kpt #: 88 total cpu time spent up to now is 168.4 secs Computing kpt #: 89 total cpu time spent up to now is 169.7 secs Computing kpt #: 90 total cpu time spent up to now is 171.0 secs Computing kpt #: 91 total cpu time spent up to now is 172.4 secs Computing kpt #: 92 total cpu time spent up to now is 173.6 secs Computing kpt #: 93 total cpu time spent up to now is 174.9 secs Computing kpt #: 94 total cpu time spent up to now is 176.3 secs Computing kpt #: 95 total cpu time spent up to now is 177.5 secs Computing kpt #: 96 total cpu time spent up to now is 178.8 secs Computing kpt #: 97 total cpu time spent up to now is 180.1 secs Computing kpt #: 98 total cpu time spent up to now is 181.5 secs Computing kpt #: 99 total cpu time spent up to now is 182.7 secs Computing kpt #: 100 total cpu time spent up to now is 184.1 secs Computing kpt #: 101 total cpu time spent up to now is 185.3 secs Computing kpt #: 102 total cpu time spent up to now is 186.5 secs Computing kpt #: 103 total cpu time spent up to now is 187.7 secs Computing kpt #: 104 total cpu time spent up to now is 189.0 secs Computing kpt #: 105 total cpu time spent up to now is 190.2 secs Computing kpt #: 106 total cpu time spent up to now is 191.3 secs Computing kpt #: 107 total cpu time spent up to now is 192.6 secs Computing kpt #: 108 total cpu time spent up to now is 193.8 secs Computing kpt #: 109 total cpu time spent up to now is 195.0 secs Computing kpt #: 110 total cpu time spent up to now is 196.2 secs Computing kpt #: 111 total cpu time spent up to now is 197.4 secs Computing kpt #: 112 total cpu time spent up to now is 198.7 secs Computing kpt #: 113 total cpu time spent up to now is 200.1 secs Computing kpt #: 114 total cpu time spent up to now is 201.3 secs Computing kpt #: 115 total cpu time spent up to now is 202.5 secs Computing kpt #: 116 total cpu time spent up to now is 203.9 secs Computing kpt #: 117 total cpu time spent up to now is 205.0 secs Computing kpt #: 118 total cpu time spent up to now is 206.3 secs Computing kpt #: 119 total cpu time spent up to now is 207.5 secs Computing kpt #: 120 total cpu time spent up to now is 208.6 secs Computing kpt #: 121 total cpu time spent up to now is 209.9 secs Computing kpt #: 122 total cpu time spent up to now is 211.1 secs Computing kpt #: 123 total cpu time spent up to now is 212.3 secs Computing kpt #: 124 total cpu time spent up to now is 213.5 secs Computing kpt #: 125 total cpu time spent up to now is 214.7 secs Computing kpt #: 126 total cpu time spent up to now is 215.9 secs Computing kpt #: 127 total cpu time spent up to now is 217.0 secs Computing kpt #: 128 total cpu time spent up to now is 218.0 secs Computing kpt #: 129 total cpu time spent up to now is 219.2 secs Computing kpt #: 130 total cpu time spent up to now is 220.3 secs Computing kpt #: 131 total cpu time spent up to now is 221.5 secs Computing kpt #: 132 total cpu time spent up to now is 222.4 secs Computing kpt #: 133 total cpu time spent up to now is 223.6 secs Computing kpt #: 134 total cpu time spent up to now is 224.6 secs Computing kpt #: 135 total cpu time spent up to now is 225.7 secs Computing kpt #: 136 total cpu time spent up to now is 226.7 secs Computing kpt #: 137 total cpu time spent up to now is 227.8 secs Computing kpt #: 138 total cpu time spent up to now is 228.8 secs Computing kpt #: 139 total cpu time spent up to now is 229.8 secs Computing kpt #: 140 total cpu time spent up to now is 230.9 secs Computing kpt #: 141 total cpu time spent up to now is 232.0 secs Computing kpt #: 142 total cpu time spent up to now is 233.0 secs Computing kpt #: 143 total cpu time spent up to now is 234.1 secs Computing kpt #: 144 total cpu time spent up to now is 235.1 secs Computing kpt #: 145 total cpu time spent up to now is 236.4 secs Computing kpt #: 146 total cpu time spent up to now is 237.5 secs Computing kpt #: 147 total cpu time spent up to now is 238.6 secs Computing kpt #: 148 total cpu time spent up to now is 239.7 secs Computing kpt #: 149 total cpu time spent up to now is 240.9 secs Computing kpt #: 150 total cpu time spent up to now is 242.2 secs Computing kpt #: 151 total cpu time spent up to now is 243.5 secs Computing kpt #: 152 total cpu time spent up to now is 244.9 secs Computing kpt #: 153 total cpu time spent up to now is 246.4 secs Computing kpt #: 154 total cpu time spent up to now is 247.9 secs Computing kpt #: 155 total cpu time spent up to now is 249.5 secs Computing kpt #: 156 total cpu time spent up to now is 251.0 secs Computing kpt #: 157 total cpu time spent up to now is 252.3 secs Computing kpt #: 158 total cpu time spent up to now is 253.8 secs Computing kpt #: 159 total cpu time spent up to now is 255.3 secs Computing kpt #: 160 total cpu time spent up to now is 257.0 secs Computing kpt #: 161 total cpu time spent up to now is 258.7 secs Computing kpt #: 162 total cpu time spent up to now is 260.5 secs Computing kpt #: 163 total cpu time spent up to now is 262.3 secs Computing kpt #: 164 total cpu time spent up to now is 264.2 secs Computing kpt #: 165 total cpu time spent up to now is 266.2 secs Computing kpt #: 166 total cpu time spent up to now is 268.2 secs Computing kpt #: 167 total cpu time spent up to now is 270.2 secs Computing kpt #: 168 total cpu time spent up to now is 272.2 secs Computing kpt #: 169 total cpu time spent up to now is 274.3 secs Computing kpt #: 170 total cpu time spent up to now is 276.6 secs Computing kpt #: 171 total cpu time spent up to now is 279.1 secs Computing kpt #: 172 total cpu time spent up to now is 281.4 secs Computing kpt #: 173 total cpu time spent up to now is 284.3 secs Computing kpt #: 174 total cpu time spent up to now is 286.7 secs Computing kpt #: 175 total cpu time spent up to now is 289.6 secs Computing kpt #: 176 total cpu time spent up to now is 292.4 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.7 secs Computing kpt #: 178 total cpu time spent up to now is 298.6 secs Computing kpt #: 179 total cpu time spent up to now is 301.4 secs Computing kpt #: 180 total cpu time spent up to now is 304.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.6 secs Computing kpt #: 182 total cpu time spent up to now is 310.6 secs Computing kpt #: 183 total cpu time spent up to now is 313.2 secs Computing kpt #: 184 total cpu time spent up to now is 315.7 secs Computing kpt #: 185 total cpu time spent up to now is 318.1 secs Computing kpt #: 186 total cpu time spent up to now is 320.2 secs Computing kpt #: 187 total cpu time spent up to now is 322.6 secs Computing kpt #: 188 total cpu time spent up to now is 324.8 secs Computing kpt #: 189 total cpu time spent up to now is 327.0 secs Computing kpt #: 190 total cpu time spent up to now is 329.3 secs Computing kpt #: 191 total cpu time spent up to now is 331.6 secs Computing kpt #: 192 total cpu time spent up to now is 334.1 secs Computing kpt #: 193 total cpu time spent up to now is 336.5 secs Computing kpt #: 194 total cpu time spent up to now is 338.7 secs Computing kpt #: 195 total cpu time spent up to now is 340.7 secs Computing kpt #: 196 total cpu time spent up to now is 343.0 secs Computing kpt #: 197 total cpu time spent up to now is 345.2 secs Computing kpt #: 198 total cpu time spent up to now is 347.1 secs Computing kpt #: 199 total cpu time spent up to now is 349.0 secs Computing kpt #: 200 total cpu time spent up to now is 350.8 secs Computing kpt #: 201 total cpu time spent up to now is 352.6 secs Computing kpt #: 202 total cpu time spent up to now is 354.3 secs Computing kpt #: 203 total cpu time spent up to now is 356.0 secs Computing kpt #: 204 total cpu time spent up to now is 357.7 secs Computing kpt #: 205 total cpu time spent up to now is 359.3 secs Computing kpt #: 206 total cpu time spent up to now is 360.7 secs Computing kpt #: 207 total cpu time spent up to now is 362.4 secs Computing kpt #: 208 total cpu time spent up to now is 364.0 secs Computing kpt #: 209 total cpu time spent up to now is 365.3 secs Computing kpt #: 210 total cpu time spent up to now is 366.7 secs Computing kpt #: 211 total cpu time spent up to now is 368.1 secs Computing kpt #: 212 total cpu time spent up to now is 369.3 secs Computing kpt #: 213 total cpu time spent up to now is 370.6 secs Computing kpt #: 214 total cpu time spent up to now is 371.9 secs Computing kpt #: 215 total cpu time spent up to now is 373.2 secs Computing kpt #: 216 total cpu time spent up to now is 374.5 secs Computing kpt #: 217 total cpu time spent up to now is 375.8 secs Computing kpt #: 218 total cpu time spent up to now is 377.3 secs Computing kpt #: 219 total cpu time spent up to now is 378.6 secs Computing kpt #: 220 total cpu time spent up to now is 380.1 secs Computing kpt #: 221 total cpu time spent up to now is 381.4 secs Computing kpt #: 222 total cpu time spent up to now is 382.6 secs Computing kpt #: 223 total cpu time spent up to now is 383.9 secs Computing kpt #: 224 total cpu time spent up to now is 385.1 secs Computing kpt #: 225 total cpu time spent up to now is 386.4 secs Computing kpt #: 226 total cpu time spent up to now is 387.6 secs Computing kpt #: 227 total cpu time spent up to now is 388.7 secs Computing kpt #: 228 total cpu time spent up to now is 390.0 secs Computing kpt #: 229 total cpu time spent up to now is 391.2 secs Computing kpt #: 230 total cpu time spent up to now is 392.6 secs Computing kpt #: 231 total cpu time spent up to now is 393.8 secs Computing kpt #: 232 total cpu time spent up to now is 395.0 secs Computing kpt #: 233 total cpu time spent up to now is 396.2 secs Computing kpt #: 234 total cpu time spent up to now is 397.5 secs Computing kpt #: 235 total cpu time spent up to now is 398.7 secs Computing kpt #: 236 total cpu time spent up to now is 400.0 secs Computing kpt #: 237 total cpu time spent up to now is 401.3 secs Computing kpt #: 238 total cpu time spent up to now is 402.5 secs Computing kpt #: 239 total cpu time spent up to now is 403.7 secs Computing kpt #: 240 total cpu time spent up to now is 405.0 secs Computing kpt #: 241 total cpu time spent up to now is 406.1 secs Computing kpt #: 242 total cpu time spent up to now is 407.3 secs Computing kpt #: 243 total cpu time spent up to now is 408.6 secs Computing kpt #: 244 total cpu time spent up to now is 409.8 secs Computing kpt #: 245 total cpu time spent up to now is 411.1 secs Computing kpt #: 246 total cpu time spent up to now is 412.4 secs Computing kpt #: 247 total cpu time spent up to now is 413.7 secs Computing kpt #: 248 total cpu time spent up to now is 414.9 secs Computing kpt #: 249 total cpu time spent up to now is 416.1 secs Computing kpt #: 250 total cpu time spent up to now is 417.3 secs Computing kpt #: 251 total cpu time spent up to now is 418.5 secs Computing kpt #: 252 total cpu time spent up to now is 419.7 secs Computing kpt #: 253 total cpu time spent up to now is 421.0 secs Computing kpt #: 254 total cpu time spent up to now is 422.3 secs Computing kpt #: 255 total cpu time spent up to now is 423.5 secs Computing kpt #: 256 total cpu time spent up to now is 424.7 secs Computing kpt #: 257 total cpu time spent up to now is 426.0 secs Computing kpt #: 258 total cpu time spent up to now is 427.5 secs Computing kpt #: 259 total cpu time spent up to now is 429.0 secs Computing kpt #: 260 total cpu time spent up to now is 430.3 secs Computing kpt #: 261 total cpu time spent up to now is 431.6 secs Computing kpt #: 262 total cpu time spent up to now is 432.9 secs Computing kpt #: 263 total cpu time spent up to now is 434.3 secs Computing kpt #: 264 total cpu time spent up to now is 435.6 secs Computing kpt #: 265 total cpu time spent up to now is 437.0 secs Computing kpt #: 266 total cpu time spent up to now is 438.8 secs Computing kpt #: 267 total cpu time spent up to now is 441.0 secs Computing kpt #: 268 total cpu time spent up to now is 442.9 secs Computing kpt #: 269 total cpu time spent up to now is 445.2 secs Computing kpt #: 270 total cpu time spent up to now is 448.0 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.3 secs Computing kpt #: 272 total cpu time spent up to now is 454.0 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.3 secs Computing kpt #: 274 total cpu time spent up to now is 459.5 secs Computing kpt #: 275 total cpu time spent up to now is 462.5 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.6 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 468.7 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 471.9 secs Computing kpt #: 279 total cpu time spent up to now is 474.0 secs Computing kpt #: 280 total cpu time spent up to now is 476.0 secs Computing kpt #: 281 total cpu time spent up to now is 477.9 secs Computing kpt #: 282 total cpu time spent up to now is 479.7 secs Computing kpt #: 283 total cpu time spent up to now is 482.8 secs Computing kpt #: 284 total cpu time spent up to now is 484.6 secs Computing kpt #: 285 total cpu time spent up to now is 486.3 secs Computing kpt #: 286 total cpu time spent up to now is 488.8 secs Computing kpt #: 287 total cpu time spent up to now is 490.5 secs Computing kpt #: 288 total cpu time spent up to now is 492.6 secs Computing kpt #: 289 total cpu time spent up to now is 494.3 secs Computing kpt #: 290 total cpu time spent up to now is 495.6 secs Computing kpt #: 291 total cpu time spent up to now is 497.3 secs Computing kpt #: 292 total cpu time spent up to now is 498.6 secs Computing kpt #: 293 total cpu time spent up to now is 499.9 secs Computing kpt #: 294 total cpu time spent up to now is 501.2 secs Computing kpt #: 295 total cpu time spent up to now is 502.9 secs Computing kpt #: 296 total cpu time spent up to now is 504.6 secs Computing kpt #: 297 total cpu time spent up to now is 505.9 secs Computing kpt #: 298 total cpu time spent up to now is 507.1 secs Computing kpt #: 299 total cpu time spent up to now is 508.4 secs Computing kpt #: 300 total cpu time spent up to now is 509.6 secs Computing kpt #: 301 total cpu time spent up to now is 510.9 secs Computing kpt #: 302 total cpu time spent up to now is 512.5 secs Computing kpt #: 303 total cpu time spent up to now is 513.9 secs Computing kpt #: 304 total cpu time spent up to now is 515.2 secs Computing kpt #: 305 total cpu time spent up to now is 516.4 secs Computing kpt #: 306 total cpu time spent up to now is 517.9 secs Computing kpt #: 307 total cpu time spent up to now is 519.0 secs Computing kpt #: 308 total cpu time spent up to now is 520.4 secs Computing kpt #: 309 total cpu time spent up to now is 521.6 secs Computing kpt #: 310 total cpu time spent up to now is 523.0 secs Computing kpt #: 311 total cpu time spent up to now is 524.2 secs Computing kpt #: 312 total cpu time spent up to now is 525.5 secs Computing kpt #: 313 total cpu time spent up to now is 526.7 secs Computing kpt #: 314 total cpu time spent up to now is 528.0 secs Computing kpt #: 315 total cpu time spent up to now is 529.3 secs Computing kpt #: 316 total cpu time spent up to now is 530.4 secs Computing kpt #: 317 total cpu time spent up to now is 531.7 secs Computing kpt #: 318 total cpu time spent up to now is 533.0 secs Computing kpt #: 319 total cpu time spent up to now is 534.3 secs Computing kpt #: 320 total cpu time spent up to now is 535.6 secs Computing kpt #: 321 total cpu time spent up to now is 536.8 secs Computing kpt #: 322 total cpu time spent up to now is 538.2 secs Computing kpt #: 323 total cpu time spent up to now is 539.3 secs Computing kpt #: 324 total cpu time spent up to now is 540.5 secs Computing kpt #: 325 total cpu time spent up to now is 541.6 secs Computing kpt #: 326 total cpu time spent up to now is 542.6 secs Computing kpt #: 327 total cpu time spent up to now is 543.7 secs Computing kpt #: 328 total cpu time spent up to now is 544.7 secs Computing kpt #: 329 total cpu time spent up to now is 545.7 secs Computing kpt #: 330 total cpu time spent up to now is 546.9 secs Computing kpt #: 331 total cpu time spent up to now is 548.0 secs Computing kpt #: 332 total cpu time spent up to now is 549.0 secs Computing kpt #: 333 total cpu time spent up to now is 550.0 secs Computing kpt #: 334 total cpu time spent up to now is 551.0 secs Computing kpt #: 335 total cpu time spent up to now is 552.1 secs Computing kpt #: 336 total cpu time spent up to now is 553.2 secs Computing kpt #: 337 total cpu time spent up to now is 554.4 secs Computing kpt #: 338 total cpu time spent up to now is 555.5 secs Computing kpt #: 339 total cpu time spent up to now is 556.7 secs Computing kpt #: 340 total cpu time spent up to now is 557.8 secs Computing kpt #: 341 total cpu time spent up to now is 558.9 secs Computing kpt #: 342 total cpu time spent up to now is 560.1 secs Computing kpt #: 343 total cpu time spent up to now is 561.4 secs Computing kpt #: 344 total cpu time spent up to now is 562.6 secs Computing kpt #: 345 total cpu time spent up to now is 563.9 secs Computing kpt #: 346 total cpu time spent up to now is 565.1 secs Computing kpt #: 347 total cpu time spent up to now is 566.5 secs Computing kpt #: 348 total cpu time spent up to now is 567.9 secs Computing kpt #: 349 total cpu time spent up to now is 569.4 secs Computing kpt #: 350 total cpu time spent up to now is 570.9 secs Computing kpt #: 351 total cpu time spent up to now is 572.5 secs Computing kpt #: 352 total cpu time spent up to now is 574.2 secs Computing kpt #: 353 total cpu time spent up to now is 575.7 secs Computing kpt #: 354 total cpu time spent up to now is 577.5 secs Computing kpt #: 355 total cpu time spent up to now is 579.1 secs Computing kpt #: 356 total cpu time spent up to now is 580.9 secs Computing kpt #: 357 total cpu time spent up to now is 582.7 secs Computing kpt #: 358 total cpu time spent up to now is 584.6 secs Computing kpt #: 359 total cpu time spent up to now is 586.6 secs Computing kpt #: 360 total cpu time spent up to now is 588.6 secs Computing kpt #: 361 total cpu time spent up to now is 590.7 secs Computing kpt #: 362 total cpu time spent up to now is 592.9 secs Computing kpt #: 363 total cpu time spent up to now is 595.3 secs Computing kpt #: 364 total cpu time spent up to now is 597.9 secs Computing kpt #: 365 total cpu time spent up to now is 600.7 secs Computing kpt #: 366 total cpu time spent up to now is 603.8 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.0 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 610.2 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.5 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.6 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.9 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.1 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.3 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.5 secs Computing kpt #: 375 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.7 secs Computing kpt #: 376 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 635.8 secs Computing kpt #: 377 total cpu time spent up to now is 638.7 secs Computing kpt #: 378 total cpu time spent up to now is 641.5 secs Computing kpt #: 379 total cpu time spent up to now is 644.3 secs Computing kpt #: 380 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.4 secs Computing kpt #: 381 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 650.6 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 653.8 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.9 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.2 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.4 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.6 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.8 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.0 secs Computing kpt #: 389 total cpu time spent up to now is 675.7 secs Computing kpt #: 390 total cpu time spent up to now is 678.3 secs Computing kpt #: 391 total cpu time spent up to now is 680.8 secs Computing kpt #: 392 total cpu time spent up to now is 683.3 secs Computing kpt #: 393 total cpu time spent up to now is 685.5 secs Computing kpt #: 394 total cpu time spent up to now is 687.7 secs Computing kpt #: 395 total cpu time spent up to now is 689.8 secs Computing kpt #: 396 total cpu time spent up to now is 691.6 secs Computing kpt #: 397 total cpu time spent up to now is 693.6 secs Computing kpt #: 398 total cpu time spent up to now is 695.4 secs Computing kpt #: 399 total cpu time spent up to now is 697.2 secs Computing kpt #: 400 total cpu time spent up to now is 699.0 secs Computing kpt #: 401 total cpu time spent up to now is 700.5 secs Computing kpt #: 402 total cpu time spent up to now is 702.1 secs Computing kpt #: 403 total cpu time spent up to now is 703.7 secs Computing kpt #: 404 total cpu time spent up to now is 705.3 secs Computing kpt #: 405 total cpu time spent up to now is 706.9 secs Computing kpt #: 406 total cpu time spent up to now is 708.3 secs Computing kpt #: 407 total cpu time spent up to now is 709.6 secs Computing kpt #: 408 total cpu time spent up to now is 711.1 secs Computing kpt #: 409 total cpu time spent up to now is 712.4 secs Computing kpt #: 410 total cpu time spent up to now is 713.7 secs Computing kpt #: 411 total cpu time spent up to now is 714.9 secs Computing kpt #: 412 total cpu time spent up to now is 716.1 secs Computing kpt #: 413 total cpu time spent up to now is 717.3 secs Computing kpt #: 414 total cpu time spent up to now is 718.5 secs Computing kpt #: 415 total cpu time spent up to now is 719.6 secs Computing kpt #: 416 total cpu time spent up to now is 720.7 secs Computing kpt #: 417 total cpu time spent up to now is 721.8 secs Computing kpt #: 418 total cpu time spent up to now is 722.9 secs Computing kpt #: 419 total cpu time spent up to now is 723.9 secs Computing kpt #: 420 total cpu time spent up to now is 725.2 secs Computing kpt #: 421 total cpu time spent up to now is 726.5 secs Computing kpt #: 422 total cpu time spent up to now is 727.6 secs Computing kpt #: 423 total cpu time spent up to now is 729.0 secs Computing kpt #: 424 total cpu time spent up to now is 730.2 secs Computing kpt #: 425 total cpu time spent up to now is 731.6 secs Computing kpt #: 426 total cpu time spent up to now is 732.8 secs Computing kpt #: 427 total cpu time spent up to now is 734.1 secs Computing kpt #: 428 total cpu time spent up to now is 735.5 secs Computing kpt #: 429 total cpu time spent up to now is 736.7 secs Computing kpt #: 430 total cpu time spent up to now is 738.6 secs Computing kpt #: 431 total cpu time spent up to now is 740.0 secs Computing kpt #: 432 total cpu time spent up to now is 741.3 secs Computing kpt #: 433 total cpu time spent up to now is 742.7 secs Computing kpt #: 434 total cpu time spent up to now is 744.2 secs Computing kpt #: 435 total cpu time spent up to now is 745.4 secs Computing kpt #: 436 total cpu time spent up to now is 746.9 secs Computing kpt #: 437 total cpu time spent up to now is 748.1 secs Computing kpt #: 438 total cpu time spent up to now is 749.3 secs Computing kpt #: 439 total cpu time spent up to now is 750.6 secs Computing kpt #: 440 total cpu time spent up to now is 752.0 secs Computing kpt #: 441 total cpu time spent up to now is 753.6 secs Computing kpt #: 442 total cpu time spent up to now is 754.8 secs Computing kpt #: 443 total cpu time spent up to now is 756.1 secs Computing kpt #: 444 total cpu time spent up to now is 757.4 secs Computing kpt #: 445 total cpu time spent up to now is 758.9 secs Computing kpt #: 446 total cpu time spent up to now is 760.2 secs Computing kpt #: 447 total cpu time spent up to now is 761.4 secs Computing kpt #: 448 total cpu time spent up to now is 762.7 secs Computing kpt #: 449 total cpu time spent up to now is 764.2 secs Computing kpt #: 450 total cpu time spent up to now is 765.7 secs Computing kpt #: 451 total cpu time spent up to now is 767.4 secs Computing kpt #: 452 total cpu time spent up to now is 768.9 secs Computing kpt #: 453 total cpu time spent up to now is 770.5 secs Computing kpt #: 454 total cpu time spent up to now is 772.0 secs Computing kpt #: 455 total cpu time spent up to now is 773.6 secs Computing kpt #: 456 total cpu time spent up to now is 775.2 secs Computing kpt #: 457 total cpu time spent up to now is 776.6 secs Computing kpt #: 458 total cpu time spent up to now is 778.3 secs Computing kpt #: 459 total cpu time spent up to now is 780.1 secs Computing kpt #: 460 total cpu time spent up to now is 781.8 secs Computing kpt #: 461 total cpu time spent up to now is 783.8 secs Computing kpt #: 462 total cpu time spent up to now is 785.7 secs Computing kpt #: 463 total cpu time spent up to now is 788.1 secs Computing kpt #: 464 total cpu time spent up to now is 790.1 secs Computing kpt #: 465 total cpu time spent up to now is 792.0 secs Computing kpt #: 466 total cpu time spent up to now is 794.0 secs Computing kpt #: 467 total cpu time spent up to now is 796.4 secs Computing kpt #: 468 total cpu time spent up to now is 799.0 secs Computing kpt #: 469 total cpu time spent up to now is 801.2 secs Computing kpt #: 470 total cpu time spent up to now is 803.8 secs Computing kpt #: 471 total cpu time spent up to now is 806.3 secs Computing kpt #: 472 total cpu time spent up to now is 809.1 secs Computing kpt #: 473 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 812.1 secs Computing kpt #: 474 total cpu time spent up to now is 814.6 secs Computing kpt #: 475 total cpu time spent up to now is 817.4 secs Computing kpt #: 476 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 820.4 secs ethr = 2.50E-11, avg # of iterations = 43.9 total cpu time spent up to now is 820.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7030 -22.0668 -22.0668 -22.0256 -22.0256 -14.4367 -14.4367 -6.5225 -6.5225 -5.8997 -5.8997 -5.8086 -5.8086 -0.9762 -0.9762 0.9367 0.9367 0.9439 0.9439 7.9491 7.9491 8.1563 8.1563 8.1753 8.1753 8.9584 8.9584 8.9820 8.9820 9.1962 9.1962 9.8158 9.8158 9.9212 9.9212 9.9903 9.9903 12.5299 12.5299 12.6853 12.6853 12.8156 12.8156 14.6957 14.6957 k = 0.0089 0.0089-0.0000 ( 2777 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7029 -22.0669 -22.0667 -22.0256 -22.0256 -14.4366 -14.4366 -6.5226 -6.5223 -5.9000 -5.8994 -5.8087 -5.8085 -0.9760 -0.9757 0.9365 0.9378 0.9440 0.9444 7.9456 7.9503 8.1511 8.1578 8.1734 8.1756 8.9554 8.9576 8.9800 8.9810 9.1936 9.1956 9.8078 9.8212 9.9182 9.9205 9.9816 9.9982 12.5305 12.5316 12.6864 12.6876 12.8156 12.8176 14.6967 14.6970 k = 0.0178 0.0179-0.0000 ( 2773 PWs) bands (ev): -45.9900 -45.9900 -22.7031 -22.7029 -22.0670 -22.0668 -22.0256 -22.0255 -14.4360 -14.4360 -6.5227 -6.5221 -5.9002 -5.8990 -5.8088 -5.8084 -0.9751 -0.9744 0.9372 0.9397 0.9451 0.9458 7.9396 7.9490 8.1421 8.1554 8.1700 8.1741 8.9484 8.9528 8.9748 8.9767 9.1881 9.1921 9.7972 9.8241 9.9125 9.9146 9.9734 10.0043 12.5336 12.5357 12.6909 12.6932 12.8175 12.8217 14.7000 14.7006 k = 0.0267 0.0268-0.0000 ( 2773 PWs) bands (ev): -45.9900 -45.9900 -22.7032 -22.7030 -22.0673 -22.0669 -22.0257 -22.0256 -14.4352 -14.4351 -6.5228 -6.5219 -5.9004 -5.8986 -5.8089 -5.8083 -0.9735 -0.9725 0.9383 0.9416 0.9477 0.9483 7.9310 7.9452 8.1295 8.1491 8.1652 8.1709 8.9371 8.9438 8.9666 8.9693 9.1803 9.1861 9.7836 9.8246 9.9021 9.9045 9.9669 10.0083 12.5390 12.5421 12.6988 12.7020 12.8216 12.8278 14.7055 14.7064 k = 0.0356 0.0357-0.0000 ( 2765 PWs) bands (ev): -45.9900 -45.9900 -22.7034 -22.7031 -22.0676 -22.0671 -22.0257 -22.0256 -14.4339 -14.4339 -6.5229 -6.5217 -5.9005 -5.8981 -5.8090 -5.8082 -0.9712 -0.9698 0.9397 0.9430 0.9521 0.9523 7.9197 7.9388 8.1134 8.1392 8.1589 8.1661 8.9214 8.9306 8.9555 8.9587 9.1710 9.1784 9.7670 9.8228 9.8832 9.8947 9.9619 10.0100 12.5468 12.5509 12.7099 12.7141 12.8279 12.8360 14.7133 14.7144 k = 0.0445 0.0446-0.0000 ( 2765 PWs) bands (ev): -45.9900 -45.9900 -22.7037 -22.7033 -22.0680 -22.0674 -22.0258 -22.0257 -14.4324 -14.4323 -6.5229 -6.5215 -5.9005 -5.8976 -5.8091 -5.8080 -0.9682 -0.9666 0.9411 0.9444 0.9575 0.9585 7.9055 7.9295 8.0939 8.1257 8.1513 8.1596 8.9009 8.9126 8.9416 8.9449 9.1612 9.1700 9.7473 9.8186 9.8589 9.8833 9.9572 10.0093 12.5570 12.5619 12.7241 12.7292 12.8366 12.8464 14.7231 14.7245 k = 0.0534 0.0536-0.0000 ( 2765 PWs) bands (ev): -45.9900 -45.9900 -22.7040 -22.7035 -22.0685 -22.0678 -22.0260 -22.0257 -14.4305 -14.4304 -6.5229 -6.5212 -5.9005 -5.8970 -5.8090 -5.8078 -0.9647 -0.9627 0.9426 0.9458 0.9642 0.9661 7.8881 7.9171 8.0716 8.1091 8.1422 8.1516 8.8757 8.8898 8.9249 8.9282 9.1517 9.1615 9.7243 9.8123 9.8301 9.8703 9.9518 10.0060 12.5697 12.5753 12.7414 12.7472 12.8477 12.8592 14.7349 14.7365 k = 0.0623 0.0625-0.0000 ( 2769 PWs) bands (ev): -45.9899 -45.9899 -22.7043 -22.7038 -22.0691 -22.0683 -22.0261 -22.0259 -14.4282 -14.4282 -6.5228 -6.5209 -5.9005 -5.8964 -5.8089 -5.8074 -0.9606 -0.9582 0.9441 0.9474 0.9722 0.9749 7.8674 7.9010 8.0465 8.0893 8.1319 8.1422 8.8459 8.8622 8.9056 8.9088 9.1433 9.1536 9.6982 9.7974 9.8039 9.8559 9.9452 10.0002 12.5848 12.5910 12.7615 12.7680 12.8614 12.8745 14.7486 14.7504 k = 0.0712 0.0714-0.0000 ( 2773 PWs) bands (ev): -45.9899 -45.9899 -22.7047 -22.7041 -22.0697 -22.0688 -22.0262 -22.0260 -14.4257 -14.4256 -6.5228 -6.5206 -5.9003 -5.8957 -5.8087 -5.8070 -0.9559 -0.9533 0.9458 0.9491 0.9813 0.9848 7.8432 7.8809 8.0194 8.0665 8.1206 8.1315 8.8120 8.8301 8.8839 8.8869 9.1362 9.1466 9.6692 9.7616 9.7934 9.8401 9.9370 9.9918 12.6022 12.6090 12.7842 12.7913 12.8777 12.8922 14.7640 14.7660 k = 0.0801 0.0804-0.0000 ( 2767 PWs) bands (ev): -45.9899 -45.9899 -22.7051 -22.7045 -22.0704 -22.0694 -22.0264 -22.0261 -14.4228 -14.4227 -6.5227 -6.5202 -5.9001 -5.8950 -5.8082 -5.8064 -0.9508 -0.9479 0.9476 0.9511 0.9916 0.9957 7.8154 7.8563 7.9904 8.0408 8.1085 8.1197 8.7744 8.7941 8.8598 8.8627 9.1305 9.1407 9.6374 9.7230 9.7810 9.8230 9.9270 9.9811 12.6219 12.6292 12.8094 12.8170 12.8969 12.9126 14.7810 14.7831 k = 0.0890 0.0893-0.0000 ( 2767 PWs) bands (ev): -45.9899 -45.9899 -22.7056 -22.7049 -22.0712 -22.0700 -22.0266 -22.0263 -14.4197 -14.4196 -6.5225 -6.5198 -5.8999 -5.8943 -5.8076 -5.8056 -0.9453 -0.9421 0.9496 0.9532 1.0027 1.0074 7.7840 7.8269 7.9600 8.0121 8.0956 8.1070 8.7337 8.7549 8.8336 8.8364 9.1261 9.1360 9.6034 9.6819 9.7668 9.8046 9.9154 9.9682 12.6440 12.6516 12.8370 12.8449 12.9188 12.9356 14.7994 14.8016 k = 0.0979 0.0982-0.0000 ( 2767 PWs) bands (ev): -45.9898 -45.9898 -22.7061 -22.7053 -22.0721 -22.0708 -22.0268 -22.0264 -14.4163 -14.4161 -6.5222 -6.5193 -5.8996 -5.8935 -5.8067 -5.8045 -0.9395 -0.9359 0.9517 0.9555 1.0145 1.0198 7.7491 7.7927 7.9282 7.9805 8.0823 8.0936 8.6907 8.7131 8.8056 8.8082 9.1230 9.1324 9.5672 9.6388 9.7509 9.7849 9.9022 9.9534 12.6682 12.6761 12.8666 12.8749 12.9435 12.9612 14.8190 14.8213 k = 0.1068 0.1071-0.0000 ( 2767 PWs) bands (ev): -45.9898 -45.9898 -22.7067 -22.7058 -22.0730 -22.0716 -22.0270 -22.0266 -14.4126 -14.4124 -6.5219 -6.5188 -5.8992 -5.8927 -5.8056 -5.8033 -0.9334 -0.9295 0.9540 0.9580 1.0270 1.0328 7.7108 7.7540 7.8949 7.9459 8.0685 8.0796 8.6457 8.6692 8.7757 8.7782 9.1211 9.1299 9.5294 9.5939 9.7334 9.7638 9.8877 9.9371 12.6946 12.7027 12.8981 12.9066 12.9708 12.9893 14.8397 14.8420 k = 0.1157 0.1161-0.0000 ( 2765 PWs) bands (ev): -45.9898 -45.9898 -22.7072 -22.7063 -22.0739 -22.0725 -22.0272 -22.0268 -14.4086 -14.4085 -6.5214 -6.5181 -5.8988 -5.8919 -5.8042 -5.8017 -0.9271 -0.9229 0.9564 0.9607 1.0400 1.0462 7.6694 7.7113 7.8597 7.9085 8.0545 8.0654 8.5993 8.6239 8.7443 8.7468 9.1200 9.1283 9.4903 9.5478 9.7144 9.7415 9.8724 9.9198 12.7230 12.7313 12.9313 12.9400 13.0008 13.0199 14.8613 14.8637 k = 0.1246 0.1250-0.0000 ( 2765 PWs) bands (ev): -45.9897 -45.9897 -22.7079 -22.7069 -22.0750 -22.0734 -22.0275 -22.0270 -14.4045 -14.4043 -6.5208 -6.5173 -5.8983 -5.8910 -5.8025 -5.7999 -0.9206 -0.9162 0.9590 0.9636 1.0533 1.0599 7.6252 7.6652 7.8224 7.8682 8.0402 8.0508 8.5519 8.5774 8.7116 8.7139 9.1197 9.1274 9.4502 9.5009 9.6940 9.7179 9.8565 9.9018 12.7533 12.7618 12.9661 12.9749 13.0333 13.0528 14.8837 14.8860 k = 0.1335 0.1339-0.0000 ( 2759 PWs) bands (ev): -45.9897 -45.9897 -22.7085 -22.7075 -22.0760 -22.0744 -22.0277 -22.0273 -14.4001 -14.3999 -6.5201 -6.5164 -5.8978 -5.8901 -5.8005 -5.7978 -0.9141 -0.9094 0.9617 0.9666 1.0667 1.0737 7.5785 7.6162 7.7828 7.8253 8.0257 8.0361 8.5037 8.5300 8.6777 8.6800 9.1200 9.1271 9.4096 9.4536 9.6723 9.6931 9.8406 9.8838 12.7855 12.7940 13.0022 13.0110 13.0680 13.0879 14.9066 14.9090 k = 0.1424 0.1429-0.0000 ( 2759 PWs) bands (ev): -45.9896 -45.9896 -22.7092 -22.7081 -22.0771 -22.0754 -22.0280 -22.0275 -14.3955 -14.3953 -6.5191 -6.5153 -5.8972 -5.8892 -5.7981 -5.7953 -0.9075 -0.9025 0.9645 0.9697 1.0802 1.0874 7.5297 7.5650 7.7409 7.7798 8.0110 8.0213 8.4549 8.4819 8.6428 8.6450 9.1205 9.1271 9.3692 9.4068 9.6493 9.6672 9.8250 9.8660 12.8194 12.8280 13.0394 13.0483 13.1049 13.1250 14.9300 14.9323 k = 0.1513 0.1518-0.0000 ( 2763 PWs) bands (ev): -45.9896 -45.9896 -22.7099 -22.7088 -22.0783 -22.0766 -22.0283 -22.0278 -14.3908 -14.3906 -6.5179 -6.5139 -5.8966 -5.8883 -5.7955 -5.7926 -0.9010 -0.8958 0.9674 0.9730 1.0934 1.1009 7.4792 7.5120 7.6966 7.7320 7.9960 8.0065 8.4057 8.4331 8.6071 8.6092 9.1206 9.1267 9.3298 9.3612 9.6250 9.6403 9.8102 9.8491 12.8549 12.8635 13.0776 13.0865 13.1438 13.1640 14.9537 14.9560 k = 0.1602 0.1607-0.0000 ( 2758 PWs) bands (ev): -45.9896 -45.9896 -22.7106 -22.7095 -22.0795 -22.0777 -22.0286 -22.0280 -14.3859 -14.3857 -6.5164 -6.5123 -5.8959 -5.8873 -5.7925 -5.7896 -0.8946 -0.8891 0.9705 0.9764 1.1064 1.1141 7.4274 7.4577 7.6502 7.6821 7.9808 7.9915 8.3561 8.3837 8.5707 8.5728 9.1194 9.1248 9.2928 9.3182 9.5997 9.6125 9.7965 9.8333 12.8918 12.9005 13.1166 13.1254 13.1843 13.2046 14.9776 14.9798 k = 0.1691 0.1696-0.0000 ( 2758 PWs) bands (ev): -45.9895 -45.9895 -22.7114 -22.7102 -22.0808 -22.0789 -22.0289 -22.0283 -14.3808 -14.3806 -6.5146 -6.5104 -5.8951 -5.8864 -5.7892 -5.7863 -0.8883 -0.8826 0.9735 0.9799 1.1189 1.1267 7.3745 7.4025 7.6018 7.6304 7.9653 7.9765 8.3062 8.3336 8.5339 8.5358 9.1153 9.1196 9.2606 9.2801 9.5732 9.5839 9.7843 9.8189 12.9302 12.9388 13.1562 13.1649 13.2265 13.2466 15.0015 15.0037 k = 0.1780 0.1786-0.0000 ( 2754 PWs) bands (ev): -45.9895 -45.9895 -22.7121 -22.7109 -22.0821 -22.0801 -22.0292 -22.0286 -14.3757 -14.3755 -6.5124 -6.5081 -5.8943 -5.8854 -5.7857 -5.7827 -0.8823 -0.8763 0.9766 0.9834 1.1308 1.1385 7.3210 7.3467 7.5517 7.5772 7.9495 7.9613 8.2558 8.2827 8.4966 8.4985 9.1056 9.1083 9.2363 9.2499 9.5456 9.5545 9.7738 9.8063 12.9698 12.9783 13.1963 13.2049 13.2700 13.2900 15.0253 15.0274 k = 0.1869 0.1875-0.0000 ( 2752 PWs) bands (ev): -45.9894 -45.9894 -22.7129 -22.7117 -22.0834 -22.0813 -22.0295 -22.0289 -14.3704 -14.3702 -6.5098 -6.5054 -5.8935 -5.8844 -5.7820 -5.7789 -0.8764 -0.8703 0.9798 0.9870 1.1419 1.1496 7.2670 7.2907 7.5002 7.5228 7.9334 7.9461 8.2050 8.2309 8.4592 8.4610 9.0880 9.0892 9.2222 9.2304 9.5171 9.5244 9.7653 9.7956 13.0104 13.0189 13.2368 13.2452 13.3147 13.3344 15.0489 15.0510 k = 0.1958 0.1964-0.0000 ( 2748 PWs) bands (ev): -45.9894 -45.9894 -22.7137 -22.7124 -22.0847 -22.0826 -22.0297 -22.0291 -14.3651 -14.3649 -6.5067 -6.5023 -5.8926 -5.8833 -5.7780 -5.7749 -0.8709 -0.8645 0.9829 0.9906 1.1521 1.1597 7.2129 7.2348 7.4475 7.4674 7.9167 7.9308 8.1538 8.1780 8.4217 8.4235 9.0634 9.0637 9.2172 9.2213 9.4877 9.4937 9.7587 9.7870 13.0521 13.0604 13.2773 13.2857 13.3604 13.3798 15.0723 15.0743 k = 0.2047 0.2054-0.0000 ( 2744 PWs) bands (ev): -45.9893 -45.9893 -22.7146 -22.7132 -22.0860 -22.0839 -22.0301 -22.0294 -14.3597 -14.3595 -6.5032 -6.4986 -5.8917 -5.8823 -5.7739 -5.7708 -0.8657 -0.8591 0.9859 0.9942 1.1614 1.1688 7.1590 7.1792 7.3939 7.4115 7.8994 7.9154 8.1023 8.1240 8.3843 8.3860 9.0351 9.0354 9.2183 9.2197 9.4575 9.4625 9.7543 9.7806 13.0945 13.1028 13.3180 13.3262 13.4069 13.4260 15.0954 15.0972 k = 0.2136 0.2143-0.0000 ( 2740 PWs) bands (ev): -45.9893 -45.9893 -22.7154 -22.7140 -22.0874 -22.0852 -22.0304 -22.0297 -14.3543 -14.3541 -6.4990 -6.4944 -5.8908 -5.8812 -5.7697 -5.7666 -0.8608 -0.8541 0.9888 0.9978 1.1696 1.1767 7.1054 7.1241 7.3397 7.3551 7.8810 7.8999 8.0508 8.0687 8.3470 8.3486 9.0065 9.0072 9.2228 9.2231 9.4267 9.4308 9.7521 9.7763 13.1377 13.1458 13.3585 13.3666 13.4540 13.4727 15.1179 15.1197 k = 0.2225 0.2232-0.0000 ( 2748 PWs) bands (ev): -45.9892 -45.9892 -22.7163 -22.7149 -22.0888 -22.0866 -22.0307 -22.0301 -14.3489 -14.3487 -6.4942 -6.4896 -5.8898 -5.8801 -5.7655 -5.7623 -0.8563 -0.8494 0.9916 1.0012 1.1768 1.1834 7.0524 7.0697 7.2852 7.2986 7.8609 7.8842 7.9998 8.0121 8.3099 8.3115 8.9798 8.9809 9.2285 9.2302 9.3955 9.3989 9.7519 9.7742 13.1814 13.1894 13.3988 13.4067 13.5016 13.5198 15.1400 15.1417 k = 0.2314 0.2321-0.0000 ( 2742 PWs) bands (ev): -45.9891 -45.9891 -22.7171 -22.7157 -22.0902 -22.0879 -22.0310 -22.0304 -14.3434 -14.3433 -6.4888 -6.4842 -5.8888 -5.8790 -5.7613 -5.7581 -0.8522 -0.8452 0.9942 1.0045 1.1829 1.1890 7.0001 7.0162 7.2305 7.2423 7.8375 7.8684 7.9509 7.9542 8.2733 8.2749 8.9565 8.9576 9.2358 9.2386 9.3639 9.3668 9.7539 9.7743 13.2255 13.2333 13.4388 13.4466 13.5495 13.5672 15.1615 15.1631 k = 0.2403 0.2411-0.0000 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7180 -22.7165 -22.0916 -22.0893 -22.0313 -22.0307 -14.3380 -14.3379 -6.4827 -6.4781 -5.8877 -5.8779 -5.7572 -5.7540 -0.8486 -0.8414 0.9965 1.0075 1.1879 1.1934 6.9487 6.9638 7.1760 7.1862 7.8080 7.8521 7.8956 7.9071 8.2371 8.2386 8.9372 8.9382 9.2438 9.2477 9.3326 9.3351 9.7578 9.7764 13.2699 13.2776 13.4784 13.4860 13.5975 13.6147 15.1823 15.1838 k = 0.2493 0.2500-0.0000 ( 2742 PWs) bands (ev): -45.9890 -45.9890 -22.7188 -22.7174 -22.0929 -22.0906 -22.0317 -22.0310 -14.3327 -14.3325 -6.4759 -6.4712 -5.8866 -5.8768 -5.7533 -5.7501 -0.8453 -0.8380 0.9984 1.0103 1.1918 1.1966 6.8982 6.9124 7.1218 7.1307 7.7694 7.8276 7.8439 7.8712 8.2015 8.2030 8.9226 8.9232 9.2510 9.2558 9.3027 9.3050 9.7637 9.7805 13.3145 13.3220 13.5175 13.5249 13.6455 13.6622 15.2025 15.2039 k = 0.2582 0.2589-0.0000 ( 2746 PWs) bands (ev): -45.9890 -45.9890 -22.7197 -22.7182 -22.0943 -22.0920 -22.0320 -22.0313 -14.3274 -14.3272 -6.4683 -6.4636 -5.8856 -5.8757 -5.7496 -5.7463 -0.8426 -0.8352 0.9999 1.0127 1.1947 1.1987 6.8489 6.8623 7.0682 7.0759 7.7218 7.7708 7.8236 7.8435 8.1664 8.1679 8.9128 8.9129 9.2496 9.2536 9.2819 9.2859 9.7714 9.7865 13.3591 13.3663 13.5560 13.5632 13.6934 13.7095 15.2220 15.2233 k = 0.2671 0.2679-0.0000 ( 2742 PWs) bands (ev): -45.9889 -45.9889 -22.7205 -22.7191 -22.0957 -22.0934 -22.0323 -22.0316 -14.3222 -14.3220 -6.4599 -6.4552 -5.8845 -5.8746 -5.7462 -5.7429 -0.8402 -0.8328 1.0010 1.0146 1.1968 1.1999 6.8008 6.8135 7.0152 7.0219 7.6682 7.7090 7.8075 7.8211 8.1321 8.1336 8.9073 8.9083 9.2268 9.2292 9.2830 9.2896 9.7808 9.7942 13.4035 13.4106 13.5938 13.6008 13.7409 13.7565 15.2407 15.2419 k = 0.2760 0.2768-0.0000 ( 2738 PWs) bands (ev): -45.9889 -45.9889 -22.7213 -22.7199 -22.0970 -22.0948 -22.0326 -22.0319 -14.3170 -14.3169 -6.4508 -6.4461 -5.8834 -5.8735 -5.7431 -5.7398 -0.8384 -0.8308 1.0014 1.0160 1.1981 1.2002 6.7540 6.7661 6.9632 6.9689 7.6113 7.6462 7.7919 7.8016 8.0985 8.1000 8.9066 8.9087 9.1967 9.1986 9.2918 9.3000 9.7918 9.8035 13.4477 13.4545 13.6308 13.6376 13.7880 13.8029 15.2586 15.2597 k = 0.2849 0.2857-0.0000 ( 2742 PWs) bands (ev): -45.9888 -45.9888 -22.7222 -22.7208 -22.0984 -22.0961 -22.0329 -22.0322 -14.3120 -14.3119 -6.4408 -6.4361 -5.8822 -5.8724 -5.7405 -5.7372 -0.8370 -0.8294 1.0012 1.0166 1.1989 1.1999 6.7086 6.7202 6.9121 6.9171 7.5525 7.5830 7.7765 7.7837 8.0658 8.0673 8.9107 8.9142 9.1656 9.1673 9.3021 9.3118 9.8041 9.8142 13.4915 13.4980 13.6670 13.6736 13.8344 13.8488 15.2757 15.2767 k = 0.2938 0.2946-0.0000 ( 2738 PWs) bands (ev): -45.9888 -45.9888 -22.7230 -22.7216 -22.0997 -22.0975 -22.0331 -22.0325 -14.3071 -14.3070 -6.4300 -6.4253 -5.8811 -5.8713 -5.7384 -5.7351 -0.8360 -0.8284 1.0002 1.0165 1.1992 1.1992 6.6647 6.6757 6.8623 6.8666 7.4928 7.5196 7.7614 7.7669 8.0339 8.0354 8.9195 8.9244 9.1345 9.1360 9.3130 9.3241 9.8178 9.8263 13.5347 13.5410 13.7022 13.7086 13.8801 13.8939 15.2919 15.2929 k = 0.3027 0.3036-0.0000 ( 2734 PWs) bands (ev): -45.9887 -45.9887 -22.7238 -22.7224 -22.1010 -22.0988 -22.0334 -22.0328 -14.3024 -14.3022 -6.4183 -6.4137 -5.8800 -5.8702 -5.7368 -5.7335 -0.8355 -0.8279 0.9983 1.0155 1.1982 1.1992 6.6223 6.6329 6.8138 6.8175 7.4327 7.4566 7.7465 7.7509 8.0029 8.0044 8.9328 8.9391 9.1037 9.1052 9.3240 9.3367 9.8325 9.8396 13.5773 13.5833 13.7365 13.7427 13.9249 13.9381 15.3074 15.3082 k = 0.3116 0.3125-0.0000 ( 2738 PWs) bands (ev): -45.9887 -45.9887 -22.7246 -22.7232 -22.1022 -22.1001 -22.0337 -22.0331 -14.2978 -14.2976 -6.4059 -6.4013 -5.8789 -5.8691 -5.7359 -5.7326 -0.8354 -0.8278 0.9956 1.0135 1.1971 1.1991 6.5814 6.5915 6.7668 6.7700 7.3727 7.3940 7.7320 7.7354 7.9729 7.9744 8.9501 8.9581 9.0735 9.0750 9.3350 9.3494 9.8481 9.8539 13.6190 13.6248 13.7697 13.7756 13.9687 13.9812 15.3220 15.3227 k = 0.3205 0.3214-0.0000 ( 2736 PWs) bands (ev): -45.9886 -45.9886 -22.7253 -22.7240 -22.1035 -22.1013 -22.0340 -22.0334 -14.2933 -14.2932 -6.3926 -6.3881 -5.8778 -5.8681 -5.7356 -5.7323 -0.8357 -0.8281 0.9920 1.0105 1.1961 1.1990 6.5421 6.5518 6.7214 6.7241 7.3132 7.3321 7.7177 7.7206 7.9438 7.9454 8.9710 8.9810 9.0441 9.0458 9.3460 9.3622 9.8646 9.8690 13.6599 13.6654 13.8018 13.8075 14.0112 14.0232 15.3357 15.3364 k = 0.3294 0.3304-0.0000 ( 2734 PWs) bands (ev): -45.9886 -45.9886 -22.7261 -22.7247 -22.1047 -22.1026 -22.0342 -22.0336 -14.2890 -14.2889 -6.3786 -6.3741 -5.8767 -5.8671 -5.7361 -5.7328 -0.8363 -0.8289 0.9875 1.0064 1.1954 1.1990 6.5044 6.5138 6.6778 6.6800 7.2545 7.2714 7.7039 7.7063 7.9157 7.9173 8.9939 9.0065 9.0164 9.0188 9.3569 9.3749 9.8816 9.8847 13.6996 13.7049 13.8327 13.8382 14.0525 14.0638 15.3486 15.3492 k = 0.3383 0.3393-0.0000 ( 2734 PWs) bands (ev): -45.9885 -45.9885 -22.7268 -22.7255 -22.1058 -22.1038 -22.0345 -22.0339 -14.2849 -14.2848 -6.3639 -6.3594 -5.8756 -5.8661 -5.7374 -5.7340 -0.8373 -0.8300 0.9822 1.0013 1.1950 1.1992 6.4685 6.4773 6.6361 6.6378 7.1968 7.2119 7.6905 7.6926 7.8887 7.8903 8.9870 8.9874 9.0254 9.0372 9.3676 9.3877 9.8990 9.9010 13.7382 13.7432 13.8625 13.8676 14.0923 14.1030 15.3606 15.3611 k = 0.3472 0.3482-0.0000 ( 2734 PWs) bands (ev): -45.9885 -45.9885 -22.7275 -22.7262 -22.1069 -22.1049 -22.0347 -22.0342 -14.2810 -14.2809 -6.3485 -6.3440 -5.8746 -5.8651 -5.7395 -5.7361 -0.8386 -0.8314 0.9761 0.9952 1.1951 1.1997 6.4342 6.4425 6.5964 6.5977 7.1406 7.1539 7.6777 7.6795 7.8628 7.8644 8.9608 8.9612 9.0545 9.0692 9.3781 9.4004 9.9167 9.9176 13.7755 13.7802 13.8909 13.8958 14.1306 14.1407 15.3718 15.3723 k = 0.3561 0.3571-0.0000 ( 2738 PWs) bands (ev): -45.9884 -45.9884 -22.7281 -22.7269 -22.1080 -22.1061 -22.0349 -22.0344 -14.2773 -14.2772 -6.3324 -6.3280 -5.8736 -5.8642 -5.7424 -5.7390 -0.8401 -0.8331 0.9694 0.9882 1.1956 1.2005 6.4015 6.4094 6.5589 6.5597 7.0859 7.0977 7.6654 7.6671 7.8379 7.8395 8.9353 8.9358 9.0862 9.1033 9.3883 9.4130 9.9345 9.9345 13.8114 13.8158 13.9181 13.9227 14.1672 14.1767 15.3822 15.3826 k = 0.3650 0.3661-0.0000 ( 2730 PWs) bands (ev): -45.9884 -45.9884 -22.7287 -22.7276 -22.1089 -22.1071 -22.0351 -22.0346 -14.2737 -14.2737 -6.3158 -6.3115 -5.8726 -5.8633 -5.7462 -5.7427 -0.8419 -0.8351 0.9622 0.9806 1.1965 1.2016 6.3706 6.3779 6.5237 6.5240 7.0330 7.0434 7.6538 7.6553 7.8141 7.8158 8.9110 8.9115 9.1193 9.1391 9.3984 9.4256 9.9513 9.9522 13.8458 13.8498 13.9439 13.9481 14.2020 14.2109 15.3917 15.3921 k = 0.3739 0.3750-0.0000 ( 2736 PWs) bands (ev): -45.9884 -45.9884 -22.7294 -22.7283 -22.1099 -22.1082 -22.0353 -22.0349 -14.2704 -14.2703 -6.2987 -6.2944 -5.8717 -5.8624 -5.7509 -5.7473 -0.8438 -0.8373 0.9546 0.9724 1.1977 1.2028 6.3414 6.3480 6.4907 6.4908 6.9822 6.9913 7.6429 7.6443 7.7914 7.7931 8.8879 8.8884 9.1532 9.1758 9.4081 9.4382 9.9679 9.9696 13.8785 13.8822 13.9683 13.9722 14.2349 14.2432 15.4005 15.4008 k = 0.3828 0.3839-0.0000 ( 2734 PWs) bands (ev): -45.9883 -45.9883 -22.7299 -22.7289 -22.1108 -22.1091 -22.0355 -22.0351 -14.2673 -14.2672 -6.2812 -6.2770 -5.8709 -5.8616 -5.7564 -5.7527 -0.8459 -0.8396 0.9468 0.9639 1.1993 1.2043 6.3139 6.3199 6.4598 6.4605 6.9336 6.9415 7.6328 7.6341 7.7698 7.7715 8.8662 8.8667 9.1873 9.2130 9.4177 9.4508 9.9843 9.9867 13.9095 13.9128 13.9912 13.9948 14.2658 14.2735 15.4085 15.4087 k = 0.3917 0.3929-0.0000 ( 2734 PWs) bands (ev): -45.9883 -45.9883 -22.7304 -22.7294 -22.1116 -22.1101 -22.0357 -22.0353 -14.2644 -14.2644 -6.2634 -6.2592 -5.8701 -5.8608 -5.7628 -5.7589 -0.8481 -0.8421 0.9390 0.9552 1.2011 1.2060 6.2882 6.2934 6.4315 6.4327 6.8875 6.8943 7.6235 7.6248 7.7493 7.7511 8.8458 8.8463 9.2209 9.2498 9.4272 9.4635 10.0002 10.0031 13.9386 13.9416 14.0127 14.0160 14.2947 14.3018 15.4158 15.4159 k = 0.4006 0.4018-0.0000 ( 2746 PWs) bands (ev): -45.9883 -45.9883 -22.7310 -22.7300 -22.1124 -22.1110 -22.0359 -22.0355 -14.2617 -14.2617 -6.2454 -6.2414 -5.8694 -5.8600 -5.7700 -5.7658 -0.8503 -0.8447 0.9313 0.9465 1.2031 1.2077 6.2641 6.2686 6.4058 6.4075 6.8440 6.8498 7.6150 7.6163 7.7300 7.7317 8.8269 8.8274 9.2533 9.2857 9.4367 9.4764 10.0155 10.0189 13.9658 13.9684 14.0327 14.0356 14.3214 14.3279 15.4223 15.4224 k = 0.4095 0.4107-0.0000 ( 2746 PWs) bands (ev): -45.9882 -45.9882 -22.7314 -22.7306 -22.1131 -22.1118 -22.0360 -22.0357 -14.2593 -14.2592 -6.2274 -6.2234 -5.8688 -5.8593 -5.7779 -5.7735 -0.8525 -0.8472 0.9239 0.9379 1.2051 1.2094 6.2418 6.2456 6.3828 6.3849 6.8033 6.8082 7.6076 7.6089 7.7118 7.7136 8.8095 8.8099 9.2839 9.3196 9.4467 9.4895 10.0301 10.0337 13.9909 13.9932 14.0511 14.0536 14.3459 14.3519 15.4281 15.4282 k = 0.4184 0.4196-0.0000 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7318 -22.7310 -22.1137 -22.1125 -22.0361 -22.0358 -14.2571 -14.2570 -6.2095 -6.2056 -5.8682 -5.8586 -5.7864 -5.7817 -0.8546 -0.8498 0.9168 0.9297 1.2072 1.2112 6.2212 6.2244 6.3624 6.3648 6.7656 6.7696 7.6011 7.6024 7.6948 7.6966 8.7937 8.7940 9.3121 9.3506 9.4576 9.5029 10.0438 10.0476 14.0139 14.0158 14.0680 14.0701 14.3682 14.3736 15.4333 15.4334 k = 0.4273 0.4286-0.0000 ( 2736 PWs) bands (ev): -45.9882 -45.9882 -22.7321 -22.7314 -22.1142 -22.1132 -22.0362 -22.0360 -14.2551 -14.2550 -6.1919 -6.1882 -5.8678 -5.8580 -5.7955 -5.7903 -0.8566 -0.8522 0.9102 0.9219 1.2093 1.2128 6.2026 6.2051 6.3447 6.3473 6.7310 6.7343 7.5957 7.5971 7.6790 7.6808 8.7794 8.7797 9.3375 9.3774 9.4702 9.5165 10.0565 10.0604 14.0347 14.0363 14.0833 14.0850 14.3883 14.3930 15.4378 15.4379 k = 0.4362 0.4375-0.0000 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7324 -22.7318 -22.1148 -22.1138 -22.0364 -22.0361 -14.2533 -14.2533 -6.1748 -6.1713 -5.8674 -5.8574 -5.8049 -5.7991 -0.8585 -0.8546 0.9043 0.9146 1.2112 1.2144 6.1858 6.1878 6.3295 6.3323 6.6998 6.7025 7.5914 7.5928 7.6644 7.6661 8.7666 8.7669 9.3597 9.3986 9.4851 9.5300 10.0682 10.0719 14.0533 14.0545 14.0969 14.0983 14.4060 14.4102 15.4418 15.4418 k = 0.4451 0.4464-0.0000 ( 2744 PWs) bands (ev): -45.9881 -45.9881 -22.7327 -22.7322 -22.1152 -22.1144 -22.0365 -22.0362 -14.2517 -14.2517 -6.1585 -6.1552 -5.8672 -5.8569 -5.8144 -5.8080 -0.8602 -0.8567 0.8990 0.9080 1.2131 1.2158 6.1710 6.1726 6.3168 6.3195 6.6722 6.6742 7.5883 7.5896 7.6510 7.6527 8.7555 8.7558 9.3787 9.4142 9.5022 9.5431 10.0786 10.0821 14.0695 14.0704 14.1088 14.1099 14.4215 14.4251 15.4451 15.4451 k = 0.4540 0.4554-0.0000 ( 2742 PWs) bands (ev): -45.9881 -45.9881 -22.7329 -22.7325 -22.1155 -22.1148 -22.0365 -22.0363 -14.2504 -14.2504 -6.1434 -6.1404 -5.8671 -5.8564 -5.8237 -5.8165 -0.8616 -0.8587 0.8946 0.9021 1.2147 1.2170 6.1583 6.1594 6.3065 6.3090 6.6482 6.6497 7.5863 7.5877 7.6388 7.6405 8.7461 8.7463 9.3945 9.4248 9.5203 9.5553 10.0877 10.0909 14.0833 14.0840 14.1191 14.1199 14.4347 14.4377 15.4479 15.4479 k = 0.4629 0.4643-0.0000 ( 2742 PWs) bands (ev): -45.9881 -45.9881 -22.7331 -22.7327 -22.1158 -22.1152 -22.0366 -22.0364 -14.2493 -14.2493 -6.1298 -6.1272 -5.8671 -5.8560 -5.8324 -5.8245 -0.8628 -0.8604 0.8909 0.8971 1.2162 1.2181 6.1476 6.1485 6.2983 6.3006 6.6281 6.6292 7.5855 7.5869 7.6278 7.6295 8.7383 8.7385 9.4074 9.4317 9.5377 9.5659 10.0954 10.0981 14.0947 14.0951 14.1277 14.1282 14.4455 14.4480 15.4502 15.4502 k = 0.4718 0.4732-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7332 -22.7329 -22.1159 -22.1155 -22.0366 -22.0364 -14.2485 -14.2485 -6.1182 -6.1160 -5.8670 -5.8561 -5.8398 -5.8314 -0.8637 -0.8619 0.8882 0.8929 1.2174 1.2188 6.1392 6.1398 6.2922 6.2940 6.6122 6.6129 7.5859 7.5874 7.6182 7.6198 8.7322 8.7323 9.4177 9.4359 9.5531 9.5744 10.1016 10.1038 14.1037 14.1039 14.1344 14.1348 14.4541 14.4560 15.4519 15.4519 k = 0.4807 0.4821-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7332 -22.7331 -22.1161 -22.1158 -22.0366 -22.0365 -14.2479 -14.2479 -6.1091 -6.1075 -5.8667 -5.8574 -5.8447 -5.8372 -0.8643 -0.8630 0.8863 0.8896 1.2184 1.2193 6.1331 6.1335 6.2879 6.2893 6.6004 6.6009 7.5876 7.5891 7.6097 7.6114 8.7277 8.7278 9.4256 9.4379 9.5657 9.5801 10.1063 10.1079 14.1102 14.1103 14.1394 14.1396 14.4604 14.4617 15.4532 15.4532 k = 0.4896 0.4911-0.0000 ( 2732 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1162 -22.1160 -22.0366 -22.0366 -14.2475 -14.2475 -6.1029 -6.1020 -5.8658 -5.8602 -5.8462 -5.8416 -0.8645 -0.8639 0.8855 0.8872 1.2191 1.2196 6.1293 6.1295 6.2855 6.2862 6.5930 6.5933 7.5905 7.5920 7.6026 7.6042 8.7249 8.7249 9.4315 9.4380 9.5750 9.5827 10.1094 10.1103 14.1142 14.1143 14.1425 14.1426 14.4645 14.4652 15.4540 15.4540 k = 0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1001 -6.1000 -5.8640 -5.8632 -5.8452 -5.8445 -0.8645 -0.8644 0.8856 0.8858 1.2195 1.2195 6.1278 6.1278 6.2847 6.2848 6.5901 6.5901 7.5944 7.5953 7.5977 7.5985 8.7238 8.7238 9.4355 9.4364 9.5807 9.5818 10.1109 10.1110 14.1159 14.1159 14.1438 14.1438 14.4663 14.4664 15.4543 15.4543 k = 0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1001 -6.1000 -5.8640 -5.8632 -5.8452 -5.8445 -0.8645 -0.8644 0.8856 0.8858 1.2195 1.2195 6.1278 6.1278 6.2847 6.2848 6.5901 6.5901 7.5944 7.5953 7.5977 7.5985 8.7238 8.7238 9.4355 9.4364 9.5807 9.5818 10.1109 10.1110 14.1159 14.1159 14.1438 14.1438 14.4663 14.4664 15.4543 15.4543 k = 0.4857 0.5000-0.0000 ( 2732 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1160 -22.0366 -22.0366 -14.2475 -14.2475 -6.1027 -6.1020 -5.8649 -5.8606 -5.8460 -5.8424 -0.8645 -0.8640 0.8856 0.8869 1.2191 1.2195 6.1295 6.1296 6.2858 6.2864 6.5923 6.5925 7.5918 7.5933 7.6012 7.6027 8.7248 8.7249 9.4320 9.4369 9.5765 9.5823 10.1095 10.1102 14.1144 14.1145 14.1426 14.1426 14.4646 14.4652 15.4540 15.4540 k = 0.4729 0.5000-0.0000 ( 2727 PWs) bands (ev): -45.9881 -45.9881 -22.7332 -22.7331 -22.1160 -22.1158 -22.0366 -22.0365 -14.2479 -14.2479 -6.1088 -6.1077 -5.8644 -5.8568 -5.8454 -5.8392 -0.8641 -0.8632 0.8867 0.8891 1.2185 1.2192 6.1341 6.1344 6.2891 6.2901 6.5982 6.5985 7.5901 7.5915 7.6072 7.6087 8.7276 8.7277 9.4261 9.4349 9.5693 9.5798 10.1065 10.1076 14.1102 14.1102 14.1399 14.1400 14.4607 14.4616 15.4534 15.4534 k = 0.4602 0.5000-0.0000 ( 2733 PWs) bands (ev): -45.9881 -45.9881 -22.7331 -22.7329 -22.1159 -22.1156 -22.0366 -22.0365 -14.2485 -14.2485 -6.1182 -6.1167 -5.8626 -5.8525 -5.8434 -5.8350 -0.8635 -0.8622 0.8887 0.8921 1.2175 1.2186 6.1415 6.1418 6.2946 6.2960 6.6077 6.6082 7.5890 7.5904 7.6151 7.6165 8.7322 8.7323 9.4176 9.4304 9.5593 9.5744 10.1016 10.1033 14.1020 14.1021 14.1368 14.1370 14.4545 14.4558 15.4524 15.4524 k = 0.4474 0.5000-0.0000 ( 2737 PWs) bands (ev): -45.9881 -45.9881 -22.7330 -22.7328 -22.1157 -22.1153 -22.0365 -22.0364 -14.2494 -14.2493 -6.1305 -6.1288 -5.8597 -5.8482 -5.8395 -5.8302 -0.8625 -0.8608 0.8917 0.8962 1.2163 1.2177 6.1513 6.1518 6.3024 6.3041 6.6209 6.6217 7.5885 7.5897 7.6249 7.6263 8.7384 8.7385 9.4068 9.4234 9.5466 9.5662 10.0950 10.0971 14.0892 14.0892 14.1343 14.1344 14.4462 14.4479 15.4510 15.4510 k = 0.4346 0.5000-0.0000 ( 2743 PWs) bands (ev): -45.9881 -45.9881 -22.7329 -22.7325 -22.1155 -22.1149 -22.0365 -22.0364 -14.2504 -14.2504 -6.1453 -6.1434 -5.8558 -5.8443 -5.8340 -5.8247 -0.8612 -0.8591 0.8957 0.9011 1.2149 1.2165 6.1632 6.1638 6.3125 6.3146 6.6381 6.6392 7.5884 7.5895 7.6369 7.6382 8.7463 8.7465 9.3936 9.4140 9.5314 9.5554 10.0865 10.0890 14.0716 14.0717 14.1325 14.1326 14.4358 14.4379 15.4491 15.4491 k = 0.4218 0.5000-0.0000 ( 2745 PWs) bands (ev): -45.9881 -45.9881 -22.7326 -22.7323 -22.1151 -22.1145 -22.0364 -22.0363 -14.2518 -14.2517 -6.1621 -6.1602 -5.8512 -5.8401 -5.8276 -5.8190 -0.8595 -0.8571 0.9006 0.9070 1.2132 1.2151 6.1767 6.1775 6.3253 6.3275 6.6594 6.6608 7.5885 7.5895 7.6510 7.6522 8.7559 8.7561 9.3780 9.4020 9.5139 9.5420 10.0761 10.0790 14.0497 14.0497 14.1311 14.1312 14.4236 14.4261 15.4466 15.4466 k = 0.4090 0.5000-0.0000 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7324 -22.7319 -22.1146 -22.1140 -22.0363 -22.0361 -14.2533 -14.2533 -6.1807 -6.1788 -5.8459 -5.8356 -5.8208 -5.8130 -0.8576 -0.8549 0.9065 0.9137 1.2113 1.2135 6.1911 6.1921 6.3410 6.3433 6.6848 6.6867 7.5889 7.5898 7.6671 7.6683 8.7672 8.7674 9.3603 9.3875 9.4944 9.5263 10.0638 10.0670 14.0237 14.0237 14.1299 14.1300 14.4098 14.4126 15.4435 15.4436 k = 0.3962 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9882 -45.9882 -22.7321 -22.7316 -22.1142 -22.1134 -22.0362 -22.0360 -14.2550 -14.2550 -6.2008 -6.1989 -5.8401 -5.8306 -5.8141 -5.8071 -0.8554 -0.8523 0.9133 0.9213 1.2092 1.2117 6.2057 6.2069 6.3599 6.3622 6.7143 6.7168 7.5894 7.5902 7.6853 7.6864 8.7801 8.7804 9.3403 9.3704 9.4732 9.5086 10.0495 10.0529 13.9939 13.9940 14.1289 14.1289 14.3945 14.3977 15.4398 15.4398 k = 0.3835 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9882 -45.9882 -22.7317 -22.7312 -22.1136 -22.1128 -22.0361 -22.0359 -14.2569 -14.2569 -6.2220 -6.2202 -5.8338 -5.8251 -5.8075 -5.8013 -0.8529 -0.8496 0.9209 0.9297 1.2070 1.2098 6.2199 6.2214 6.3827 6.3847 6.7480 6.7511 7.5901 7.5908 7.7055 7.7065 8.7947 8.7949 9.3183 9.3506 9.4509 9.4890 10.0330 10.0366 13.9605 13.9607 14.1279 14.1279 14.3780 14.3816 15.4352 15.4353 k = 0.3707 0.5000-0.0000 ( 2754 PWs) bands (ev): -45.9882 -45.9882 -22.7313 -22.7308 -22.1130 -22.1121 -22.0360 -22.0357 -14.2590 -14.2590 -6.2443 -6.2426 -5.8272 -5.8192 -5.8012 -5.7957 -0.8501 -0.8466 0.9294 0.9389 1.2048 1.2078 6.2330 6.2349 6.4093 6.4110 6.7858 6.7896 7.5908 7.5914 7.7276 7.7285 8.8108 8.8111 9.2942 9.3280 9.4279 9.4679 10.0143 10.0181 13.9239 13.9240 14.1269 14.1269 14.3606 14.3645 15.4297 15.4299 k = 0.3579 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9883 -45.9883 -22.7309 -22.7303 -22.1123 -22.1114 -22.0358 -22.0355 -14.2613 -14.2612 -6.2673 -6.2658 -5.8203 -5.8131 -5.7950 -5.7902 -0.8471 -0.8434 0.9386 0.9488 1.2025 1.2057 6.2450 6.2473 6.4401 6.4414 6.8273 6.8319 7.5917 7.5922 7.7514 7.7523 8.8284 8.8287 9.2682 9.3026 9.4048 9.4458 9.9934 9.9972 13.8842 13.8844 14.1259 14.1259 14.3425 14.3467 15.4232 15.4234 k = 0.3451 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9883 -45.9883 -22.7305 -22.7298 -22.1116 -22.1106 -22.0356 -22.0353 -14.2637 -14.2636 -6.2910 -6.2896 -5.8132 -5.8070 -5.7890 -5.7850 -0.8438 -0.8400 0.9486 0.9593 1.2002 1.2036 6.2557 6.2583 6.4748 6.4756 6.8724 6.8778 7.5925 7.5929 7.7769 7.7777 8.8475 8.8478 9.2404 9.2742 9.3821 9.4229 9.9701 9.9740 13.8417 13.8419 14.1249 14.1249 14.3239 14.3284 15.4155 15.4158 k = 0.3323 0.5000-0.0000 ( 2756 PWs) bands (ev): -45.9883 -45.9883 -22.7300 -22.7293 -22.1109 -22.1098 -22.0354 -22.0351 -14.2662 -14.2662 -6.3152 -6.3138 -5.8064 -5.8012 -5.7827 -5.7797 -0.8404 -0.8364 0.9593 0.9705 1.1981 1.2015 6.2651 6.2681 6.5133 6.5136 6.9206 6.9268 7.5934 7.5938 7.8039 7.8046 8.8679 8.8683 9.2108 9.2431 9.3601 9.3997 9.9444 9.9482 13.7967 13.7969 14.1238 14.1238 14.3052 14.3100 15.4066 15.4069 k = 0.3196 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9884 -45.9884 -22.7295 -22.7287 -22.1101 -22.1090 -22.0351 -22.0348 -14.2688 -14.2688 -6.3396 -6.3384 -5.7999 -5.7959 -5.7761 -5.7741 -0.8368 -0.8327 0.9706 0.9821 1.1960 1.1996 6.2736 6.2769 6.5550 6.5553 6.9715 6.9787 7.5943 7.5946 7.8323 7.8330 8.8898 8.8901 9.1796 9.2095 9.3392 9.3768 9.9162 9.9199 13.7494 13.7496 14.1227 14.1227 14.2865 14.2916 15.3961 15.3966 k = 0.3068 0.5000-0.0000 ( 2754 PWs) bands (ev): -45.9884 -45.9884 -22.7289 -22.7282 -22.1093 -22.1081 -22.0349 -22.0346 -14.2716 -14.2715 -6.3643 -6.3632 -5.7943 -5.7916 -5.7688 -5.7680 -0.8330 -0.8289 0.9823 0.9941 1.1942 1.1978 6.2811 6.2847 6.5997 6.6006 7.0246 7.0327 7.5952 7.5955 7.8619 7.8625 8.9128 8.9132 9.1468 9.1737 9.3197 9.3546 9.8854 9.8890 13.7000 13.7002 14.1215 14.1216 14.2681 14.2734 15.3841 15.3847 k = 0.2940 0.5000-0.0000 ( 2754 PWs) bands (ev): -45.9884 -45.9884 -22.7284 -22.7276 -22.1084 -22.1072 -22.0346 -22.0343 -14.2744 -14.2744 -6.3890 -6.3880 -5.7898 -5.7881 -5.7611 -5.7609 -0.8291 -0.8250 0.9945 1.0064 1.1926 1.1963 6.2880 6.2919 6.6474 6.6488 7.0794 7.0885 7.5962 7.5964 7.8925 7.8930 8.9371 8.9374 9.1126 9.1361 9.3018 9.3336 9.8521 9.8555 13.6489 13.6491 14.1203 14.1204 14.2503 14.2558 15.3702 15.3710 k = 0.2812 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9885 -45.9885 -22.7278 -22.7270 -22.1076 -22.1063 -22.0343 -22.0340 -14.2773 -14.2772 -6.4136 -6.4127 -5.7864 -5.7855 -5.7533 -5.7525 -0.8251 -0.8210 1.0069 1.0189 1.1915 1.1951 6.2944 6.2985 6.6978 6.6998 7.1351 7.1453 7.5971 7.5972 7.9240 7.9244 8.9623 8.9626 9.0772 9.0971 9.2859 9.3144 9.8162 9.8193 13.5963 13.5966 14.1190 14.1192 14.2331 14.2390 15.3544 15.3553 k = 0.2684 0.5000-0.0000 ( 2748 PWs) bands (ev): -45.9885 -45.9885 -22.7273 -22.7265 -22.1067 -22.1055 -22.0340 -22.0337 -14.2802 -14.2802 -6.4380 -6.4373 -5.7840 -5.7836 -5.7449 -5.7436 -0.8211 -0.8170 1.0194 1.0314 1.1908 1.1943 6.3003 6.3046 6.7507 6.7533 7.1912 7.2024 7.5980 7.5981 7.9562 7.9565 8.9883 8.9885 9.0411 9.0571 9.2722 9.2974 9.7777 9.7804 13.5426 13.5428 14.1177 14.1179 14.2169 14.2230 15.3365 15.3376 k = 0.2556 0.5000-0.0000 ( 2745 PWs) bands (ev): -45.9885 -45.9885 -22.7267 -22.7259 -22.1058 -22.1046 -22.0337 -22.0333 -14.2832 -14.2831 -6.4621 -6.4615 -5.7824 -5.7824 -5.7361 -5.7346 -0.8170 -0.8129 1.0319 1.0436 1.1907 1.1940 6.3059 6.3104 6.8059 6.8092 7.2471 7.2594 7.5988 7.5989 7.9889 7.9890 8.9994 9.0129 9.0190 9.0195 9.2612 9.2831 9.7366 9.7389 13.4880 13.4883 14.1164 14.1166 14.2018 14.2081 15.3163 15.3176 k = 0.2429 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9886 -45.9886 -22.7261 -22.7253 -22.1050 -22.1037 -22.0334 -22.0330 -14.2861 -14.2861 -6.4859 -6.4853 -5.7817 -5.7815 -5.7270 -5.7254 -0.8129 -0.8089 1.0442 1.0555 1.1914 1.1944 6.3112 6.3159 6.8632 6.8672 7.3019 7.3154 7.5997 7.5997 8.0218 8.0218 8.9638 8.9749 9.0435 9.0449 9.2533 9.2721 9.6929 9.6947 13.4329 13.4331 14.1149 14.1152 14.1879 14.1945 15.2936 15.2951 k = 0.2301 0.5000-0.0000 ( 2751 PWs) bands (ev): -45.9886 -45.9886 -22.7255 -22.7248 -22.1041 -22.1029 -22.0330 -22.0327 -14.2890 -14.2890 -6.5090 -6.5086 -5.7814 -5.7811 -5.7178 -5.7161 -0.8088 -0.8050 1.0561 1.0668 1.1930 1.1955 6.3164 6.3211 6.9224 6.9272 7.3551 7.3697 7.6005 7.6005 8.0547 8.0548 8.9256 8.9338 9.0716 9.0729 9.2488 9.2646 9.6468 9.6480 13.3776 13.3778 14.1134 14.1137 14.1753 14.1822 15.2684 15.2702 k = 0.2173 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9887 -45.9887 -22.7250 -22.7242 -22.1032 -22.1020 -22.0326 -22.0323 -14.2919 -14.2919 -6.5316 -6.5312 -5.7815 -5.7811 -5.7085 -5.7069 -0.8048 -0.8011 1.0672 1.0772 1.1956 1.1975 6.3213 6.3262 6.9833 6.9889 7.4061 7.4219 7.6012 7.6012 8.0874 8.0877 8.8872 8.8929 9.1001 9.1015 9.2480 9.2610 9.5984 9.5988 13.3224 13.3226 14.1119 14.1122 14.1642 14.1713 15.2405 15.2425 k = 0.2045 0.5000-0.0000 ( 2749 PWs) bands (ev): -45.9887 -45.9887 -22.7244 -22.7237 -22.1024 -22.1012 -22.0323 -22.0319 -14.2948 -14.2947 -6.5534 -6.5531 -5.7820 -5.7816 -5.6993 -5.6978 -0.8008 -0.7973 1.0775 1.0865 1.1994 1.2005 6.3262 6.3311 7.0455 7.0521 7.4542 7.4713 7.6019 7.6020 8.1198 8.1202 8.8490 8.8526 9.1288 9.1302 9.2512 9.2613 9.5474 9.5480 13.2676 13.2678 14.1102 14.1106 14.1546 14.1618 15.2099 15.2123 k = 0.1917 0.5000-0.0000 ( 2755 PWs) bands (ev): -45.9887 -45.9887 -22.7239 -22.7232 -22.1016 -22.1005 -22.0319 -22.0316 -14.2976 -14.2975 -6.5744 -6.5742 -5.7827 -5.7823 -5.6904 -5.6889 -0.7970 -0.7936 1.0867 1.0945 1.2045 1.2047 6.3309 6.3359 7.1087 7.1164 7.4992 7.5175 7.6026 7.6027 8.1516 8.1522 8.8113 8.8132 9.1574 9.1590 9.2582 9.2652 9.4941 9.4962 13.2136 13.2138 14.1086 14.1088 14.1465 14.1539 15.1767 15.1794 k = 0.1789 0.5000-0.0000 ( 2755 PWs) bands (ev): -45.9888 -45.9888 -22.7234 -22.7227 -22.1009 -22.0998 -22.0315 -22.0312 -14.3002 -14.3002 -6.5945 -6.5943 -5.7836 -5.7832 -5.6816 -5.6802 -0.7933 -0.7900 1.0947 1.1013 1.2100 1.2107 6.3355 6.3405 7.1726 7.1815 7.5408 7.5604 7.6032 7.6034 8.1826 8.1834 8.7744 8.7749 9.1856 9.1875 9.2683 9.2715 9.4398 9.4444 13.1608 13.1610 14.1068 14.1071 14.1400 14.1475 15.1411 15.1441 k = 0.1662 0.5000-0.0000 ( 2756 PWs) bands (ev): -45.9888 -45.9888 -22.7229 -22.7222 -22.1001 -22.0991 -22.0311 -22.0309 -14.3028 -14.3028 -6.6136 -6.6134 -5.7847 -5.7843 -5.6732 -5.6719 -0.7897 -0.7866 1.1014 1.1068 1.2164 1.2180 6.3400 6.3450 7.2365 7.2468 7.5790 7.5992 7.6040 7.6050 8.2126 8.2135 8.7380 8.7386 9.2134 9.2155 9.2758 9.2786 9.3876 9.3969 13.1094 13.1096 14.1052 14.1053 14.1349 14.1424 15.1031 15.1065 k = 0.1534 0.5000-0.0000 ( 2760 PWs) bands (ev): -45.9888 -45.9888 -22.7224 -22.7218 -22.0994 -22.0985 -22.0308 -22.0305 -14.3053 -14.3053 -6.6317 -6.6315 -5.7859 -5.7856 -5.6651 -5.6639 -0.7862 -0.7834 1.1070 1.1112 1.2237 1.2261 6.3444 6.3493 7.2997 7.3115 7.6034 7.6043 7.6156 7.6374 8.2414 8.2425 8.7028 8.7042 9.2399 9.2424 9.2649 9.2751 9.3516 9.3672 13.0599 13.0601 14.1036 14.1037 14.1311 14.1386 15.0633 15.0670 k = 0.1406 0.5000-0.0000 ( 2760 PWs) bands (ev): -45.9889 -45.9889 -22.7219 -22.7213 -22.0988 -22.0978 -22.0304 -22.0302 -14.3076 -14.3076 -6.6485 -6.6484 -5.7872 -5.7869 -5.6575 -5.6564 -0.7830 -0.7804 1.1114 1.1146 1.2316 1.2346 6.3486 6.3534 7.3612 7.3747 7.6044 7.6050 7.6487 7.6724 8.2687 8.2700 8.6695 8.6715 9.2239 9.2315 9.2693 9.2703 9.3536 9.3674 13.0126 13.0127 14.1022 14.1022 14.1285 14.1360 15.0221 15.0261 k = 0.1278 0.5000-0.0000 ( 2760 PWs) bands (ev): -45.9889 -45.9889 -22.7215 -22.7209 -22.0982 -22.0973 -22.0301 -22.0299 -14.3098 -14.3098 -6.6642 -6.6641 -5.7885 -5.7882 -5.6503 -5.6494 -0.7800 -0.7776 1.1149 1.1173 1.2399 1.2433 6.3527 6.3573 7.4194 7.4345 7.6049 7.6055 7.6820 7.7069 8.2944 8.2958 8.6384 8.6406 9.1688 9.1744 9.2939 9.2955 9.3740 9.3846 12.9678 12.9680 14.1010 14.1011 14.1269 14.1344 14.9802 14.9844 k = 0.1150 0.5000-0.0000 ( 2756 PWs) bands (ev): -45.9889 -45.9889 -22.7211 -22.7206 -22.0976 -22.0968 -22.0297 -22.0295 -14.3118 -14.3118 -6.6785 -6.6785 -5.7898 -5.7895 -5.6437 -5.6429 -0.7772 -0.7750 1.1177 1.1194 1.2483 1.2518 6.3566 6.3610 7.4724 7.4886 7.6053 7.6061 7.7174 7.7428 8.3183 8.3198 8.6097 8.6120 9.1076 9.1115 9.3181 9.3197 9.3998 9.4082 12.9260 12.9261 14.1002 14.1003 14.1262 14.1336 14.9381 14.9425 k = 0.1023 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9889 -45.9889 -22.7207 -22.7202 -22.0970 -22.0963 -22.0294 -22.0292 -14.3136 -14.3136 -6.6915 -6.6915 -5.7911 -5.7908 -5.6377 -5.6369 -0.7747 -0.7727 1.1198 1.1211 1.2565 1.2601 6.3603 6.3643 7.5180 7.5344 7.6057 7.6068 7.7575 7.7823 8.3402 8.3418 8.5836 8.5858 9.0439 9.0464 9.3409 9.3423 9.4275 9.4344 12.8874 12.8875 14.0997 14.0997 14.1263 14.1336 14.8969 14.9014 k = 0.0895 0.5000-0.0000 ( 2755 PWs) bands (ev): -45.9890 -45.9890 -22.7204 -22.7200 -22.0966 -22.0959 -22.0291 -22.0290 -14.3153 -14.3152 -6.7031 -6.7031 -5.7923 -5.7920 -5.6322 -5.6316 -0.7724 -0.7706 1.1215 1.1224 1.2643 1.2677 6.3637 6.3674 7.5547 7.5700 7.6062 7.6077 7.8041 7.8268 8.3599 8.3616 8.5604 8.5623 8.9790 8.9806 9.3618 9.3630 9.4554 9.4612 12.8524 12.8525 14.0993 14.0994 14.1272 14.1342 14.8573 14.8618 k = 0.0767 0.5000-0.0000 ( 2761 PWs) bands (ev): -45.9890 -45.9890 -22.7201 -22.7197 -22.0962 -22.0956 -22.0289 -22.0288 -14.3167 -14.3167 -6.7133 -6.7133 -5.7934 -5.7932 -5.6275 -5.6269 -0.7703 -0.7689 1.1229 1.1235 1.2715 1.2746 6.3668 6.3701 7.5815 7.5951 7.6074 7.6095 7.8565 7.8761 8.3773 8.3790 8.5401 8.5417 8.9142 8.9148 9.3806 9.3816 9.4824 9.4872 12.8214 12.8215 14.0990 14.0992 14.1287 14.1353 14.8203 14.8247 k = 0.0639 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9890 -45.9890 -22.7198 -22.7195 -22.0958 -22.0953 -22.0286 -22.0285 -14.3180 -14.3179 -6.7220 -6.7220 -5.7943 -5.7941 -5.6233 -5.6229 -0.7686 -0.7673 1.1239 1.1243 1.2779 1.2806 6.3696 6.3724 7.5974 7.6047 7.6145 7.6160 7.9125 7.9286 8.3921 8.3939 8.5232 8.5244 8.8504 8.8504 9.3970 9.3978 9.5074 9.5113 12.7945 12.7946 14.0989 14.0991 14.1307 14.1368 14.7869 14.7910 k = 0.0511 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9890 -45.9890 -22.7196 -22.7193 -22.0955 -22.0951 -22.0284 -22.0283 -14.3190 -14.3190 -6.7291 -6.7291 -5.7951 -5.7950 -5.6199 -5.6196 -0.7671 -0.7661 1.1247 1.1249 1.2833 1.2856 6.3720 6.3743 7.6029 7.6056 7.6237 7.6274 7.9687 7.9816 8.4042 8.4059 8.5100 8.5107 8.7888 8.7894 9.4108 9.4114 9.5294 9.5325 12.7722 12.7722 14.0988 14.0991 14.1330 14.1383 14.7580 14.7616 k = 0.0383 0.5000-0.0000 ( 2752 PWs) bands (ev): -45.9890 -45.9890 -22.7194 -22.7192 -22.0952 -22.0949 -22.0283 -22.0282 -14.3198 -14.3198 -6.7347 -6.7347 -5.7958 -5.7957 -5.6173 -5.6170 -0.7659 -0.7652 1.1253 1.1254 1.2878 1.2895 6.3740 6.3757 7.6045 7.6059 7.6321 7.6352 8.0216 8.0313 8.4134 8.4148 8.5007 8.5011 8.7325 8.7334 9.4217 9.4222 9.5475 9.5498 12.7545 12.7546 14.0988 14.0990 14.1354 14.1396 14.7346 14.7376 k = 0.0256 0.5000-0.0000 ( 2755 PWs) bands (ev): -45.9890 -45.9890 -22.7193 -22.7191 -22.0950 -22.0949 -22.0282 -22.0281 -14.3204 -14.3203 -6.7387 -6.7387 -5.7962 -5.7962 -5.6153 -5.6151 -0.7650 -0.7646 1.1257 1.1258 1.2911 1.2923 6.3755 6.3767 7.6052 7.6060 7.6380 7.6400 8.0665 8.0731 8.4194 8.4204 8.4957 8.4959 8.6850 8.6860 9.4297 9.4300 9.5610 9.5626 12.7418 12.7418 14.0988 14.0990 14.1377 14.1406 14.7174 14.7195 k = 0.0128 0.5000-0.0000 ( 2753 PWs) bands (ev): -45.9890 -45.9890 -22.7192 -22.7191 -22.0949 -22.0948 -22.0281 -22.0281 -14.3207 -14.3207 -6.7411 -6.7411 -5.7965 -5.7965 -5.6141 -5.6140 -0.7645 -0.7642 1.1259 1.1260 1.2932 1.2938 6.3765 6.3771 7.6056 7.6059 7.6415 7.6425 8.0980 8.1014 8.4225 8.4230 8.4943 8.4944 8.6520 8.6526 9.4345 9.4347 9.5695 9.5703 12.7341 12.7341 14.0988 14.0989 14.1394 14.1409 14.7071 14.7082 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7191 -22.7191 -22.0948 -22.0948 -22.0281 -22.0281 -14.3208 -14.3208 -6.7419 -6.7419 -5.7966 -5.7966 -5.6137 -5.6137 -0.7642 -0.7642 1.1260 1.1260 1.2941 1.2941 6.3771 6.3771 7.6058 7.6058 7.6429 7.6429 8.1105 8.1105 8.4235 8.4235 8.4944 8.4944 8.6401 8.6401 9.4362 9.4362 9.5727 9.5727 12.7315 12.7315 14.0989 14.0989 14.1406 14.1406 14.7040 14.7040 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7191 -22.7191 -22.0948 -22.0948 -22.0281 -22.0281 -14.3208 -14.3208 -6.7419 -6.7419 -5.7966 -5.7966 -5.6137 -5.6137 -0.7642 -0.7642 1.1260 1.1260 1.2941 1.2941 6.3771 6.3771 7.6058 7.6058 7.6429 7.6429 8.1105 8.1105 8.4235 8.4235 8.4944 8.4944 8.6401 8.6401 9.4362 9.4362 9.5727 9.5727 12.7315 12.7315 14.0989 14.0989 14.1406 14.1406 14.7040 14.7040 k = 0.0000 0.5000 0.0126 ( 2752 PWs) bands (ev): -45.9890 -45.9890 -22.7192 -22.7191 -22.0948 -22.0948 -22.0282 -22.0281 -14.3207 -14.3207 -6.7413 -6.7411 -5.7966 -5.7962 -5.6141 -5.6140 -0.7654 -0.7633 1.1241 1.1277 1.2928 1.2941 6.3764 6.3772 7.6029 7.6068 7.6419 7.6454 8.1090 8.1110 8.3719 8.3816 8.5274 8.5495 8.6302 8.6572 9.4208 9.4341 9.5702 9.5843 12.7319 12.7339 14.0968 14.1000 14.1391 14.1422 14.7071 14.7083 k = 0.0000 0.5000 0.0252 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7193 -22.7191 -22.0948 -22.0948 -22.0284 -22.0282 -14.3203 -14.3203 -6.7392 -6.7388 -5.7961 -5.7955 -5.6153 -5.6150 -0.7670 -0.7629 1.1219 1.1292 1.2901 1.2929 6.3753 6.3767 7.5985 7.6055 7.6427 7.6489 8.1046 8.1111 8.2967 8.3176 8.5700 8.6221 8.6269 8.6909 9.3935 9.4148 9.5769 9.5998 12.7349 12.7391 14.0940 14.0999 14.1382 14.1440 14.7176 14.7198 k = 0.0000 0.5000 0.0378 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7194 -22.7191 -22.0949 -22.0947 -22.0287 -22.0284 -14.3197 -14.3197 -6.7357 -6.7351 -5.7954 -5.7944 -5.6172 -5.6167 -0.7689 -0.7627 1.1195 1.1304 1.2862 1.2903 6.3736 6.3757 7.5929 7.6021 7.6448 7.6527 8.0929 8.1107 8.2202 8.2585 8.5941 8.6172 8.7045 8.7456 9.3590 9.3839 9.5872 9.6146 12.7409 12.7470 14.0907 14.0989 14.1377 14.1457 14.7350 14.7381 k = 0.0000 0.5000 0.0504 ( 2754 PWs) bands (ev): -45.9890 -45.9890 -22.7196 -22.7192 -22.0949 -22.0947 -22.0292 -22.0288 -14.3189 -14.3189 -6.7307 -6.7299 -5.7942 -5.7929 -5.6197 -5.6191 -0.7712 -0.7630 1.1170 1.1314 1.2812 1.2866 6.3714 6.3741 7.5861 7.5970 7.6475 7.6564 8.0656 8.1062 8.1485 8.2148 8.6064 8.6124 8.7831 8.8126 9.3199 9.3465 9.5968 9.6265 12.7500 12.7580 14.0873 14.0970 14.1378 14.1472 14.7584 14.7623 k = 0.0000 0.5000 0.0631 ( 2752 PWs) bands (ev): -45.9890 -45.9890 -22.7198 -22.7194 -22.0949 -22.0947 -22.0297 -22.0292 -14.3178 -14.3178 -6.7243 -6.7234 -5.7927 -5.7911 -5.6230 -5.6221 -0.7738 -0.7637 1.1142 1.1320 1.2750 1.2816 6.3688 6.3721 7.5776 7.5900 7.6502 7.6597 8.0183 8.0612 8.1190 8.1916 8.6086 8.6142 8.8612 8.8842 9.2779 9.3051 9.6033 9.6343 12.7625 12.7721 14.0841 14.0949 14.1383 14.1487 14.7870 14.7916 k = 0.0000 0.5000 0.0757 ( 2754 PWs) bands (ev): -45.9890 -45.9890 -22.7200 -22.7195 -22.0950 -22.0947 -22.0304 -22.0298 -14.3165 -14.3165 -6.7166 -6.7154 -5.7908 -5.7889 -5.6269 -5.6259 -0.7767 -0.7647 1.1112 1.1322 1.2678 1.2756 6.3658 6.3696 7.5667 7.5807 7.6523 7.6622 7.9585 7.9920 8.1159 8.1817 8.6062 8.6207 8.9384 8.9574 9.2341 9.2616 9.6060 9.6377 12.7784 12.7897 14.0813 14.0928 14.1390 14.1500 14.8197 14.8248 k = 0.0000 0.5000 0.0883 ( 2760 PWs) bands (ev): -45.9890 -45.9890 -22.7203 -22.7197 -22.0950 -22.0947 -22.0312 -22.0305 -14.3150 -14.3150 -6.7075 -6.7062 -5.7886 -5.7864 -5.6314 -5.6303 -0.7799 -0.7661 1.1079 1.1321 1.2598 1.2686 6.3624 6.3666 7.5523 7.5682 7.6537 7.6637 7.8948 7.9250 8.1139 8.1770 8.6058 8.6274 9.0144 9.0305 9.1897 9.2173 9.6044 9.6365 12.7982 12.8108 14.0792 14.0912 14.1399 14.1514 14.8554 14.8610 k = 0.0000 0.5000 0.1009 ( 2756 PWs) bands (ev): -45.9889 -45.9889 -22.7206 -22.7200 -22.0950 -22.0946 -22.0320 -22.0312 -14.3133 -14.3133 -6.6972 -6.6956 -5.7862 -5.7837 -5.6365 -5.6353 -0.7833 -0.7679 1.1044 1.1314 1.2512 1.2608 6.3587 6.3633 7.5324 7.5507 7.6541 7.6638 7.8326 7.8632 8.1107 8.1733 8.6079 8.6353 9.0889 9.1027 9.1457 9.1737 9.5986 9.6309 12.8218 12.8356 14.0779 14.0903 14.1410 14.1527 14.8932 14.8991 k = 0.0000 0.5000 0.1135 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7210 -22.7202 -22.0950 -22.0946 -22.0330 -22.0321 -14.3114 -14.3114 -6.6855 -6.6838 -5.7834 -5.7806 -5.6423 -5.6409 -0.7870 -0.7701 1.1005 1.1300 1.2422 1.2523 6.3547 6.3596 7.5052 7.5258 7.6535 7.6627 7.7757 7.8080 8.1057 8.1683 8.6132 8.6450 9.1026 9.1274 9.1638 9.1763 9.5886 9.6209 12.8493 12.8641 14.0776 14.0903 14.1421 14.1542 14.9318 14.9380 k = 0.0000 0.5000 0.1261 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7213 -22.7205 -22.0950 -22.0946 -22.0340 -22.0330 -14.3093 -14.3093 -6.6727 -6.6708 -5.7803 -5.7773 -5.6486 -5.6470 -0.7910 -0.7726 1.0962 1.1278 1.2330 1.2434 6.3505 6.3557 7.4691 7.4911 7.6520 7.6602 7.7269 7.7602 8.0985 8.1609 8.6221 8.6570 9.0619 9.0880 9.2346 9.2457 9.5750 9.6071 12.8807 12.8964 14.0783 14.0914 14.1432 14.1558 14.9706 14.9770 k = 0.0000 0.5000 0.1387 ( 2748 PWs) bands (ev): -45.9888 -45.9888 -22.7217 -22.7208 -22.0950 -22.0945 -22.0351 -22.0340 -14.3070 -14.3070 -6.6588 -6.6566 -5.7771 -5.7737 -5.6553 -5.6537 -0.7951 -0.7754 1.0915 1.1246 1.2242 1.2342 6.3461 6.3515 7.4242 7.4460 7.6497 7.6560 7.6876 7.7191 8.0887 8.1504 8.6348 8.6715 9.0242 9.0505 9.3041 9.3142 9.5580 9.5899 12.9159 12.9323 14.0802 14.0937 14.1444 14.1575 15.0086 15.0152 k = 0.0000 0.5000 0.1513 ( 2752 PWs) bands (ev): -45.9888 -45.9888 -22.7221 -22.7212 -22.0951 -22.0945 -22.0362 -22.0351 -14.3046 -14.3046 -6.6438 -6.6415 -5.7736 -5.7700 -5.6626 -5.6609 -0.7995 -0.7786 1.0861 1.1199 1.2160 1.2249 6.3416 6.3470 7.3719 7.3921 7.6395 7.6490 7.6634 7.6832 8.0761 8.1365 8.6513 8.6888 8.9901 9.0166 9.3716 9.3808 9.5382 9.5699 12.9546 12.9716 14.0832 14.0974 14.1457 14.1595 15.0452 15.0520 k = 0.0000 0.5000 0.1640 ( 2754 PWs) bands (ev): -45.9888 -45.9888 -22.7225 -22.7215 -22.0951 -22.0945 -22.0375 -22.0363 -14.3020 -14.3020 -6.6278 -6.6253 -5.7700 -5.7661 -5.6703 -5.6685 -0.8040 -0.7821 1.0801 1.1137 1.2087 1.2160 6.3369 6.3424 7.3145 7.3324 7.6111 7.6371 7.6547 7.6591 8.0609 8.1194 8.6712 8.7086 8.9602 8.9874 9.4366 9.4453 9.5162 9.5481 12.9967 13.0142 14.0873 14.1024 14.1470 14.1618 15.0799 15.0869 k = 0.0000 0.5000 0.1766 ( 2752 PWs) bands (ev): -45.9887 -45.9887 -22.7230 -22.7219 -22.0951 -22.0945 -22.0388 -22.0375 -14.2993 -14.2993 -6.6109 -6.6082 -5.7662 -5.7621 -5.6784 -5.6764 -0.8086 -0.7858 1.0731 1.1058 1.2027 1.2076 6.3322 6.3376 7.2540 7.2696 7.5779 7.6049 7.6504 7.6547 8.0431 8.0992 8.6939 8.7308 8.9349 8.9635 9.4899 9.4977 9.5075 9.5292 13.0419 13.0597 14.0926 14.1087 14.1485 14.1646 15.1123 15.1194 k = 0.0000 0.5000 0.1892 ( 2754 PWs) bands (ev): -45.9887 -45.9887 -22.7234 -22.7224 -22.0952 -22.0945 -22.0401 -22.0388 -14.2965 -14.2964 -6.5932 -6.5903 -5.7624 -5.7580 -5.6868 -5.6848 -0.8134 -0.7898 1.0652 1.0962 1.1977 1.2003 6.3273 6.3327 7.1921 7.2055 7.5415 7.5665 7.6490 7.6529 8.0230 8.0764 8.7186 8.7549 8.9143 8.9453 9.4673 9.4944 9.5637 9.5700 13.0898 13.1078 14.0987 14.1165 14.1501 14.1680 15.1421 15.1494 k = 0.0000 0.5000 0.2018 ( 2752 PWs) bands (ev): -45.9887 -45.9887 -22.7239 -22.7228 -22.0952 -22.0945 -22.0414 -22.0401 -14.2935 -14.2935 -6.5747 -6.5717 -5.7585 -5.7538 -5.6955 -5.6934 -0.8182 -0.7941 1.0562 1.0851 1.1923 1.1957 6.3224 6.3277 7.1297 7.1412 7.5015 7.5243 7.6484 7.6519 8.0009 8.0514 8.7438 8.7804 8.8986 8.9336 9.4425 9.4700 9.6214 9.6274 13.1400 13.1582 14.1056 14.1254 14.1520 14.1722 15.1691 15.1766 k = 0.0000 0.5000 0.2144 ( 2750 PWs) bands (ev): -45.9886 -45.9886 -22.7244 -22.7233 -22.0952 -22.0945 -22.0427 -22.0414 -14.2905 -14.2905 -6.5556 -6.5524 -5.7545 -5.7497 -5.7043 -5.7022 -0.8231 -0.7985 1.0462 1.0727 1.1868 1.1934 6.3173 6.3225 7.0676 7.0775 7.4578 7.4787 7.6483 7.6515 7.9772 8.0246 8.7678 8.8062 8.8882 8.9291 9.4179 9.4450 9.6770 9.6827 13.1922 13.2104 14.1128 14.1350 14.1549 14.1775 15.1934 15.2010 k = 0.0000 0.5000 0.2270 ( 2748 PWs) bands (ev): -45.9886 -45.9886 -22.7249 -22.7237 -22.0953 -22.0945 -22.0441 -22.0427 -14.2875 -14.2874 -6.5360 -6.5326 -5.7507 -5.7457 -5.7133 -5.7112 -0.8280 -0.8032 1.0353 1.0595 1.1822 1.1921 6.3122 6.3172 7.0065 7.0149 7.4107 7.4297 7.6483 7.6516 7.9521 7.9965 8.7881 8.8293 8.8854 8.9326 9.3944 9.4208 9.7301 9.7355 13.2459 13.2642 14.1201 14.1435 14.1603 14.1843 15.2149 15.2227 k = 0.0000 0.5000 0.2396 ( 2746 PWs) bands (ev): -45.9885 -45.9885 -22.7254 -22.7242 -22.0953 -22.0946 -22.0455 -22.0440 -14.2844 -14.2843 -6.5159 -6.5124 -5.7470 -5.7420 -5.7222 -5.7201 -0.8329 -0.8080 1.0235 1.0457 1.1788 1.1917 6.3069 6.3117 6.9468 6.9538 7.3606 7.3779 7.6486 7.6520 7.9262 7.9674 8.8031 8.8422 8.8967 8.9444 9.3727 9.3982 9.7805 9.7857 13.3009 13.3191 14.1269 14.1488 14.1704 14.1930 15.2336 15.2416 k = 0.0000 0.5000 0.2522 ( 2746 PWs) bands (ev): -45.9885 -45.9885 -22.7259 -22.7247 -22.0954 -22.0946 -22.0468 -22.0454 -14.2812 -14.2812 -6.4955 -6.4919 -5.7438 -5.7397 -5.7301 -5.7285 -0.8377 -0.8129 1.0110 1.0314 1.1763 1.1918 6.3015 6.3060 6.8886 6.8945 7.3082 7.3240 7.6489 7.6527 7.8997 7.9378 8.8123 8.8438 8.9221 8.9634 9.3535 9.3780 9.8282 9.8332 13.3567 13.3748 14.1330 14.1517 14.1843 14.2038 15.2498 15.2579 k = 0.0000 0.5000 0.2649 ( 2744 PWs) bands (ev): -45.9884 -45.9884 -22.7263 -22.7252 -22.0955 -22.0947 -22.0481 -22.0467 -14.2781 -14.2780 -6.4749 -6.4711 -5.7442 -5.7430 -5.7349 -5.7312 -0.8425 -0.8178 0.9981 1.0170 1.1748 1.1924 6.2958 6.3000 6.8324 6.8372 7.2542 7.2685 7.6492 7.6535 7.8730 7.9080 8.8167 8.8409 8.9534 8.9876 9.3375 9.3609 9.8732 9.8780 13.4129 13.4309 14.1381 14.1537 14.2003 14.2168 15.2635 15.2718 k = 0.0000 0.5000 0.2775 ( 2738 PWs) bands (ev): -45.9884 -45.9884 -22.7268 -22.7257 -22.0956 -22.0947 -22.0494 -22.0480 -14.2749 -14.2749 -6.4542 -6.4503 -5.7521 -5.7500 -5.7338 -5.7285 -0.8472 -0.8229 0.9850 1.0026 1.1740 1.1933 6.2898 6.2937 6.7784 6.7822 7.1993 7.2123 7.6494 7.6543 7.8466 7.8783 8.8174 8.8359 8.9865 9.0148 9.3251 9.3474 9.9154 9.9200 13.4692 13.4870 14.1424 14.1553 14.2179 14.2317 15.2750 15.2833 k = 0.0000 0.5000 0.2901 ( 2736 PWs) bands (ev): -45.9883 -45.9883 -22.7273 -22.7262 -22.0956 -22.0948 -22.0507 -22.0493 -14.2718 -14.2718 -6.4335 -6.4295 -5.7610 -5.7587 -5.7310 -5.7254 -0.8517 -0.8279 0.9718 0.9884 1.1740 1.1945 6.2834 6.2871 6.7267 6.7295 7.1442 7.1559 7.6492 7.6549 7.8207 7.8492 8.8151 8.8294 9.0199 9.0435 9.3168 9.3382 9.9549 9.9594 13.5251 13.5427 14.1460 14.1567 14.2366 14.2484 15.2843 15.2927 k = 0.0000 0.5000 0.3027 ( 2736 PWs) bands (ev): -45.9883 -45.9883 -22.7278 -22.7267 -22.0957 -22.0949 -22.0519 -22.0506 -14.2688 -14.2688 -6.4129 -6.4089 -5.7699 -5.7675 -5.7280 -5.7223 -0.8561 -0.8329 0.9587 0.9744 1.1747 1.1958 6.2765 6.2799 6.6776 6.6795 7.0897 7.1002 7.6485 7.6553 7.7959 7.8210 8.8101 8.8211 9.0525 9.0729 9.3126 9.3335 9.9917 9.9960 13.5805 13.5977 14.1490 14.1580 14.2561 14.2663 15.2917 15.3001 k = 0.0000 0.5000 0.3153 ( 2736 PWs) bands (ev): -45.9883 -45.9883 -22.7282 -22.7272 -22.0958 -22.0950 -22.0531 -22.0518 -14.2658 -14.2658 -6.3926 -6.3885 -5.7787 -5.7763 -5.7251 -5.7194 -0.8603 -0.8379 0.9459 0.9607 1.1758 1.1973 6.2690 6.2721 6.6313 6.6324 7.0364 7.0457 7.6467 7.6549 7.7728 7.7942 8.8026 8.8111 9.0838 9.1024 9.3123 9.3333 10.0257 10.0299 13.6348 13.6517 14.1516 14.1593 14.2764 14.2852 15.2973 15.3058 k = 0.0000 0.5000 0.3279 ( 2736 PWs) bands (ev): -45.9882 -45.9882 -22.7287 -22.7277 -22.0960 -22.0951 -22.0542 -22.0529 -14.2629 -14.2629 -6.3727 -6.3686 -5.7872 -5.7848 -5.7224 -5.7168 -0.8643 -0.8428 0.9335 0.9476 1.1773 1.1989 6.2608 6.2636 6.5878 6.5885 6.9849 6.9931 7.6433 7.6535 7.7521 7.7694 8.7930 8.7996 9.1131 9.1315 9.3156 9.3374 10.0571 10.0611 13.6878 13.7043 14.1538 14.1604 14.2971 14.3049 15.3013 15.3098 k = 0.0000 0.5000 0.3405 ( 2732 PWs) bands (ev): -45.9882 -45.9882 -22.7291 -22.7281 -22.0961 -22.0953 -22.0552 -22.0540 -14.2602 -14.2601 -6.3533 -6.3492 -5.7954 -5.7930 -5.7200 -5.7144 -0.8681 -0.8476 0.9217 0.9349 1.1792 1.2005 6.2517 6.2543 6.5472 6.5483 6.9357 6.9428 7.6375 7.6503 7.7347 7.7477 8.7817 8.7867 9.1404 9.1597 9.3221 9.3452 10.0860 10.0898 13.7391 13.7551 14.1557 14.1615 14.3180 14.3248 15.3040 15.3123 k = 0.0000 0.5000 0.3531 ( 2738 PWs) bands (ev): -45.9882 -45.9882 -22.7295 -22.7286 -22.0962 -22.0954 -22.0563 -22.0551 -14.2575 -14.2575 -6.3346 -6.3305 -5.8032 -5.8008 -5.7179 -5.7124 -0.8716 -0.8522 0.9105 0.9229 1.1814 1.2021 6.2416 6.2441 6.5097 6.5116 6.8892 6.8953 7.6289 7.6441 7.7214 7.7301 8.7691 8.7729 9.1657 9.1864 9.3315 9.3559 10.1123 10.1159 13.7884 13.8039 14.1575 14.1626 14.3388 14.3449 15.3054 15.3136 k = 0.0000 0.5000 0.3658 ( 2740 PWs) bands (ev): -45.9881 -45.9881 -22.7299 -22.7291 -22.0963 -22.0956 -22.0572 -22.0561 -14.2550 -14.2550 -6.3166 -6.3127 -5.8106 -5.8083 -5.7159 -5.7106 -0.8748 -0.8566 0.8999 0.9116 1.1837 1.2036 6.2304 6.2329 6.4759 6.4785 6.8459 6.8511 7.6175 7.6344 7.7121 7.7175 8.7557 8.7586 9.1890 9.2110 9.3432 9.3686 10.1361 10.1396 13.8354 13.8503 14.1590 14.1636 14.3592 14.3647 15.3058 15.3137 k = 0.0000 0.5000 0.3784 ( 2744 PWs) bands (ev): -45.9881 -45.9881 -22.7303 -22.7295 -22.0965 -22.0958 -22.0580 -22.0570 -14.2527 -14.2526 -6.2996 -6.2958 -5.8175 -5.8153 -5.7143 -5.7092 -0.8777 -0.8609 0.8902 0.9010 1.1862 1.2050 6.2183 6.2207 6.4458 6.4490 6.8062 6.8105 7.6041 7.6213 7.7062 7.7098 8.7420 8.7442 9.2107 9.2333 9.3567 9.3826 10.1576 10.1608 13.8798 13.8940 14.1603 14.1645 14.3791 14.3840 15.3053 15.3130 k = 0.0000 0.5000 0.3910 ( 2750 PWs) bands (ev): -45.9881 -45.9881 -22.7307 -22.7299 -22.0966 -22.0960 -22.0588 -22.0579 -14.2505 -14.2505 -6.2836 -6.2800 -5.8239 -5.8218 -5.7129 -5.7081 -0.8803 -0.8649 0.8813 0.8912 1.1888 1.2063 6.2053 6.2078 6.4195 6.4230 6.7701 6.7736 7.5899 7.6063 7.7028 7.7056 8.7285 8.7301 9.2305 9.2532 9.3714 9.3969 10.1767 10.1797 13.9212 13.9346 14.1615 14.1654 14.3981 14.4024 15.3042 15.3114 k = 0.0000 0.5000 0.4036 ( 2732 PWs) bands (ev): -45.9880 -45.9880 -22.7309 -22.7302 -22.0966 -22.0960 -22.0594 -22.0585 -14.2485 -14.2485 -6.2688 -6.2654 -5.8298 -5.8277 -5.7117 -5.7072 -0.8825 -0.8686 0.8733 0.8823 1.1914 1.2074 6.1919 6.1943 6.3967 6.4006 6.7381 6.7409 7.5758 7.5907 7.7012 7.7035 8.7154 8.7167 9.2487 9.2705 9.3867 9.4110 10.1937 10.1964 13.9593 13.9720 14.1624 14.1662 14.4159 14.4198 15.3026 15.3093 k = 0.0000 0.5000 0.4162 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7311 -22.7305 -22.0967 -22.0962 -22.0600 -22.0592 -14.2467 -14.2467 -6.2554 -6.2522 -5.8350 -5.8331 -5.7107 -5.7066 -0.8844 -0.8721 0.8663 0.8742 1.1939 1.2083 6.1784 6.1807 6.3775 6.3813 6.7100 6.7122 7.5625 7.5757 7.7006 7.7025 8.7032 8.7043 9.2652 9.2853 9.4018 9.4242 10.2084 10.2109 13.9939 14.0057 14.1633 14.1670 14.4324 14.4357 15.3007 15.3068 k = 0.0000 0.5000 0.4288 ( 2724 PWs) bands (ev): -45.9880 -45.9880 -22.7313 -22.7308 -22.0968 -22.0963 -22.0604 -22.0598 -14.2452 -14.2452 -6.2434 -6.2405 -5.8396 -5.8378 -5.7099 -5.7063 -0.8859 -0.8753 0.8602 0.8671 1.1964 1.2090 6.1654 6.1675 6.3614 6.3650 6.6859 6.6876 7.5504 7.5619 7.7005 7.7022 8.6921 8.6931 9.2798 9.2978 9.4162 9.4362 10.2211 10.2232 14.0247 14.0355 14.1639 14.1677 14.4473 14.4501 15.2986 15.3041 k = 0.0000 0.5000 0.4414 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7315 -22.7311 -22.0969 -22.0965 -22.0609 -22.0603 -14.2438 -14.2438 -6.2329 -6.2305 -5.8435 -5.8419 -5.7092 -5.7061 -0.8871 -0.8782 0.8551 0.8609 1.1988 1.2094 6.1534 6.1553 6.3482 6.3515 6.6658 6.6671 7.5400 7.5496 7.7009 7.7022 8.6824 8.6832 9.2926 9.3080 9.4295 9.4466 10.2317 10.2336 14.0514 14.0611 14.1645 14.1683 14.4603 14.4626 15.2966 15.3014 k = 0.0000 0.5000 0.4540 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7316 -22.7313 -22.0969 -22.0966 -22.0612 -22.0608 -14.2427 -14.2427 -6.2242 -6.2221 -5.8466 -5.8454 -5.7087 -5.7061 -0.8879 -0.8807 0.8510 0.8557 1.2009 1.2096 6.1429 6.1445 6.3377 6.3405 6.6496 6.6505 7.5315 7.5391 7.7013 7.7023 8.6743 8.6749 9.3035 9.3161 9.4411 9.4551 10.2404 10.2419 14.0738 14.0822 14.1650 14.1687 14.4713 14.4731 15.2948 15.2988 k = 0.0000 0.5000 0.4666 ( 2724 PWs) bands (ev): -45.9879 -45.9879 -22.7317 -22.7315 -22.0969 -22.0967 -22.0614 -22.0611 -14.2418 -14.2418 -6.2172 -6.2156 -5.8491 -5.8481 -5.7082 -5.7062 -0.8883 -0.8829 0.8480 0.8515 1.2029 1.2095 6.1344 6.1356 6.3298 6.3320 6.6373 6.6378 7.5249 7.5306 7.7018 7.7025 8.6678 8.6683 9.3124 9.3220 9.4509 9.4615 10.2471 10.2483 14.0917 14.0987 14.1655 14.1689 14.4800 14.4814 15.2934 15.2964 k = 0.0000 0.5000 0.4793 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7318 -22.7317 -22.0970 -22.0968 -22.0616 -22.0614 -14.2412 -14.2412 -6.2121 -6.2110 -5.8508 -5.8501 -5.7078 -5.7065 -0.8884 -0.8847 0.8460 0.8483 1.2047 1.2091 6.1281 6.1290 6.3242 6.3258 6.6285 6.6289 7.5203 7.5241 7.7022 7.7027 8.6632 8.6635 9.3192 9.3257 9.4585 9.4656 10.2520 10.2527 14.1050 14.1101 14.1661 14.1689 14.4865 14.4874 15.2924 15.2945 k = 0.0000 0.5000 0.4919 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7318 -22.7318 -22.0970 -22.0969 -22.0617 -22.0616 -14.2408 -14.2408 -6.2088 -6.2083 -5.8518 -5.8514 -5.7074 -5.7067 -0.8880 -0.8862 0.8450 0.8462 1.2062 1.2084 6.1244 6.1248 6.3211 6.3219 6.6233 6.6235 7.5180 7.5199 7.7025 7.7027 8.6604 8.6605 9.3240 9.3273 9.4638 9.4674 10.2549 10.2553 14.1136 14.1164 14.1669 14.1685 14.4905 14.4909 15.2920 15.2931 k = 0.0000 0.5000 0.5045 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7318 -22.7318 -22.0969 -22.0969 -22.0617 -22.0617 -14.2407 -14.2407 -6.2076 -6.2076 -5.8520 -5.8520 -5.7071 -5.7071 -0.8873 -0.8873 0.8451 0.8451 1.2074 1.2074 6.1232 6.1232 6.3203 6.3203 6.6217 6.6217 7.5178 7.5178 7.7027 7.7027 8.6595 8.6595 9.3267 9.3267 9.4668 9.4668 10.2561 10.2561 14.1175 14.1175 14.1677 14.1677 14.4920 14.4920 15.2922 15.2922 k = 0.0000 0.5000 0.5045 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7318 -22.7318 -22.0969 -22.0969 -22.0617 -22.0617 -14.2407 -14.2407 -6.2076 -6.2076 -5.8520 -5.8520 -5.7071 -5.7071 -0.8873 -0.8873 0.8451 0.8451 1.2074 1.2074 6.1232 6.1232 6.3203 6.3203 6.6217 6.6217 7.5178 7.5178 7.7027 7.7027 8.6595 8.6595 9.3267 9.3267 9.4668 9.4668 10.2561 10.2561 14.1175 14.1175 14.1677 14.1677 14.4920 14.4920 15.2922 15.2922 k = 0.0128 0.5000 0.5045 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7319 -22.7318 -22.0970 -22.0969 -22.0617 -22.0617 -14.2406 -14.2406 -6.2068 -6.2067 -5.8517 -5.8517 -5.7069 -5.7067 -0.8896 -0.8872 0.8437 0.8440 1.2035 1.2071 6.1232 6.1233 6.3229 6.3238 6.6217 6.6217 7.5187 7.5188 7.7032 7.7037 8.6546 8.6550 9.3278 9.3280 9.4674 9.4677 10.2562 10.2562 14.1180 14.1185 14.1676 14.1687 14.4923 14.4923 15.2971 15.2982 k = 0.0256 0.5000 0.5045 ( 2734 PWs) bands (ev): -45.9879 -45.9879 -22.7320 -22.7319 -22.0971 -22.0969 -22.0619 -22.0619 -14.2403 -14.2403 -6.2045 -6.2043 -5.8509 -5.8509 -5.7063 -5.7058 -0.8941 -0.8892 0.8398 0.8404 1.1954 1.2025 6.1232 6.1233 6.3316 6.3333 6.6217 6.6217 7.5215 7.5217 7.7053 7.7063 8.6405 8.6412 9.3312 9.3316 9.4694 9.4701 10.2565 10.2565 14.1202 14.1212 14.1682 14.1703 14.4935 14.4935 15.3126 15.3148 k = 0.0383 0.5000 0.5045 ( 2732 PWs) bands (ev): -45.9879 -45.9879 -22.7321 -22.7319 -22.0972 -22.0969 -22.0620 -22.0620 -14.2398 -14.2398 -6.2006 -6.2003 -5.8496 -5.8496 -5.7051 -5.7044 -0.9007 -0.8933 0.8335 0.8344 1.1831 1.1937 6.1232 6.1233 6.3463 6.3486 6.6217 6.6217 7.5260 7.5264 7.7089 7.7105 8.6174 8.6183 9.3369 9.3375 9.4730 9.4739 10.2570 10.2571 14.1239 14.1254 14.1698 14.1728 14.4953 14.4954 15.3386 15.3418 k = 0.0511 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9879 -45.9879 -22.7323 -22.7321 -22.0973 -22.0970 -22.0624 -22.0623 -14.2391 -14.2391 -6.1951 -6.1948 -5.8478 -5.8478 -5.7034 -5.7025 -0.9094 -0.8996 0.8248 0.8260 1.1669 1.1808 6.1232 6.1234 6.3667 6.3697 6.6218 6.6218 7.5323 7.5328 7.7140 7.7162 8.5857 8.5869 9.3449 9.3457 9.4780 9.4792 10.2578 10.2578 14.1292 14.1311 14.1723 14.1762 14.4980 14.4981 15.3745 15.3785 k = 0.0639 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9879 -45.9879 -22.7325 -22.7322 -22.0975 -22.0971 -22.0627 -22.0627 -14.2382 -14.2382 -6.1881 -6.1877 -5.8455 -5.8454 -5.7012 -5.7001 -0.9200 -0.9080 0.8138 0.8153 1.1468 1.1640 6.1233 6.1235 6.3927 6.3962 6.6218 6.6218 7.5399 7.5406 7.7206 7.7234 8.5460 8.5474 9.3550 9.3560 9.4845 9.4859 10.2588 10.2588 14.1360 14.1384 14.1762 14.1807 14.5013 14.5015 15.4197 15.4244 k = 0.0767 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9879 -45.9879 -22.7328 -22.7324 -22.0976 -22.0972 -22.0631 -22.0631 -14.2371 -14.2371 -6.1796 -6.1792 -5.8427 -5.8426 -5.6986 -5.6972 -0.9326 -0.9184 0.8006 0.8023 1.1232 1.1436 6.1233 6.1235 6.4240 6.4279 6.6219 6.6219 7.5489 7.5498 7.7286 7.7320 8.4989 8.5005 9.3673 9.3684 9.4926 9.4941 10.2599 10.2600 14.1443 14.1472 14.1813 14.1864 14.5054 14.5056 15.4733 15.4787 k = 0.0895 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9879 -45.9879 -22.7331 -22.7326 -22.0979 -22.0973 -22.0636 -22.0635 -14.2359 -14.2359 -6.1697 -6.1692 -5.8394 -5.8393 -5.6955 -5.6939 -0.9471 -0.9307 0.7852 0.7873 1.0964 1.1197 6.1233 6.1236 6.4603 6.4644 6.6220 6.6221 7.5588 7.5599 7.7380 7.7420 8.4453 8.4470 9.3816 9.3829 9.5022 9.5039 10.2613 10.2613 14.1540 14.1575 14.1880 14.1935 14.5102 14.5104 15.5347 15.5405 k = 0.1023 0.5000 0.5045 ( 2740 PWs) bands (ev): -45.9878 -45.9878 -22.7334 -22.7329 -22.0981 -22.0975 -22.0641 -22.0640 -14.2344 -14.2344 -6.1584 -6.1578 -5.8356 -5.8355 -5.6919 -5.6901 -0.9633 -0.9448 0.7679 0.7702 1.0666 1.0926 6.1233 6.1236 6.5012 6.5052 6.6221 6.6224 7.5693 7.5708 7.7486 7.7534 8.3858 8.3876 9.3979 9.3994 9.5134 9.5152 10.2629 10.2629 14.1652 14.1691 14.1962 14.2019 14.5156 14.5159 15.6027 15.6088 k = 0.1150 0.5000 0.5045 ( 2742 PWs) bands (ev): -45.9878 -45.9878 -22.7337 -22.7332 -22.0984 -22.0977 -22.0646 -22.0646 -14.2328 -14.2328 -6.1457 -6.1451 -5.8314 -5.8313 -5.6879 -5.6859 -0.9811 -0.9607 0.7486 0.7513 1.0341 1.0627 6.1232 6.1236 6.5462 6.5498 6.6222 6.6229 7.5801 7.5820 7.7604 7.7659 8.3215 8.3232 9.4162 9.4178 9.5264 9.5282 10.2646 10.2646 14.1778 14.1820 14.2060 14.2119 14.5217 14.5220 15.6764 15.6828 k = 0.1278 0.5000 0.5045 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7341 -22.7336 -22.0987 -22.0980 -22.0653 -22.0652 -14.2311 -14.2311 -6.1318 -6.1311 -5.8268 -5.8267 -5.6834 -5.6812 -1.0003 -0.9782 0.7277 0.7307 0.9992 1.0302 6.1231 6.1235 6.5949 6.5964 6.6225 6.6249 7.5907 7.5931 7.7733 7.7794 8.2532 8.2549 9.4363 9.4381 9.5412 9.5431 10.2665 10.2666 14.1916 14.1963 14.2174 14.2234 14.5283 14.5287 15.7549 15.7614 k = 0.1406 0.5000 0.5045 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7345 -22.7339 -22.0991 -22.0983 -22.0659 -22.0658 -14.2292 -14.2292 -6.1168 -6.1160 -5.8219 -5.8217 -5.6786 -5.6762 -1.0210 -0.9972 0.7052 0.7086 0.9624 0.9955 6.1229 6.1233 6.6197 6.6223 6.6475 6.6534 7.6006 7.6036 7.7868 7.7937 8.1822 8.1837 9.4582 9.4601 9.5579 9.5598 10.2686 10.2686 14.2067 14.2117 14.2304 14.2363 14.5355 14.5360 15.8372 15.8437 k = 0.1534 0.5000 0.5045 ( 2742 PWs) bands (ev): -45.9877 -45.9877 -22.7350 -22.7343 -22.0994 -22.0986 -22.0665 -22.0664 -14.2272 -14.2272 -6.1006 -6.0997 -5.8165 -5.8163 -5.6734 -5.6709 -1.0428 -1.0176 0.6813 0.6850 0.9239 0.9589 6.1226 6.1231 6.6214 6.6226 6.7023 6.7060 7.6090 7.6128 7.8006 7.8084 8.1099 8.1112 9.4818 9.4837 9.5767 9.5786 10.2708 10.2709 14.2230 14.2283 14.2449 14.2508 14.5433 14.5438 15.9222 15.9287 k = 0.1662 0.5000 0.5045 ( 2742 PWs) bands (ev): -45.9877 -45.9877 -22.7354 -22.7347 -22.0999 -22.0989 -22.0672 -22.0671 -14.2250 -14.2250 -6.0834 -6.0825 -5.8108 -5.8106 -5.6679 -5.6652 -1.0658 -1.0392 0.6563 0.6603 0.8841 0.9208 6.1221 6.1226 6.6220 6.6229 6.7595 6.7620 7.6150 7.6195 7.8139 7.8227 8.0388 8.0397 9.5069 9.5089 9.5976 9.5996 10.2732 10.2733 14.2404 14.2459 14.2607 14.2666 14.5516 14.5522 16.0089 16.0153 k = 0.1789 0.5000 0.5045 ( 2742 PWs) bands (ev): -45.9877 -45.9877 -22.7359 -22.7352 -22.1003 -22.0993 -22.0679 -22.0677 -14.2228 -14.2228 -6.0653 -6.0644 -5.8049 -5.8046 -5.6621 -5.6592 -1.0896 -1.0619 0.6302 0.6346 0.8432 0.8814 6.1215 6.1220 6.6224 6.6231 6.8186 6.8196 7.6166 7.6217 7.8243 7.8350 7.9732 7.9734 9.5334 9.5353 9.6208 9.6229 10.2756 10.2757 14.2589 14.2644 14.2779 14.2838 14.5602 14.5610 16.0962 16.1026 k = 0.1917 0.5000 0.5045 ( 2744 PWs) bands (ev): -45.9876 -45.9876 -22.7364 -22.7357 -22.1008 -22.0998 -22.0686 -22.0684 -14.2204 -14.2204 -6.0465 -6.0454 -5.7987 -5.7983 -5.6560 -5.6529 -1.1141 -1.0855 0.6032 0.6080 0.8017 0.8411 6.1206 6.1211 6.6228 6.6234 6.8784 6.8789 7.6102 7.6158 7.8252 7.8387 7.9226 7.9242 9.5612 9.5630 9.6464 9.6485 10.2782 10.2784 14.2783 14.2838 14.2963 14.3021 14.5693 14.5701 16.1831 16.1895 k = 0.2045 0.5000 0.5045 ( 2740 PWs) bands (ev): -45.9876 -45.9876 -22.7369 -22.7361 -22.1014 -22.1002 -22.0692 -22.0690 -14.2180 -14.2180 -6.0269 -6.0258 -5.7922 -5.7918 -5.6496 -5.6464 -1.1393 -1.1098 0.5756 0.5808 0.7598 0.8002 6.1194 6.1199 6.6232 6.6237 6.9377 6.9400 7.5903 7.5957 7.8079 7.8222 7.9057 7.9062 9.5901 9.5918 9.6742 9.6764 10.2808 10.2810 14.2985 14.3039 14.3157 14.3215 14.5788 14.5797 16.2685 16.2748 k = 0.2173 0.5000 0.5045 ( 2734 PWs) bands (ev): -45.9875 -45.9875 -22.7374 -22.7366 -22.1019 -22.1007 -22.0699 -22.0696 -14.2155 -14.2155 -6.0068 -6.0056 -5.7856 -5.7851 -5.6430 -5.6398 -1.1648 -1.1347 0.5475 0.5531 0.7177 0.7589 6.1178 6.1184 6.6236 6.6240 6.9969 7.0012 7.5519 7.5566 7.7863 7.8009 7.9107 7.9124 9.6200 9.6215 9.7042 9.7066 10.2835 10.2838 14.3193 14.3247 14.3360 14.3419 14.5886 14.5896 16.3513 16.3577 k = 0.2301 0.5000 0.5045 ( 2734 PWs) bands (ev): -45.9875 -45.9875 -22.7379 -22.7371 -22.1025 -22.1013 -22.0705 -22.0702 -14.2130 -14.2130 -5.9862 -5.9849 -5.7788 -5.7782 -5.6363 -5.6329 -1.1906 -1.1601 0.5192 0.5252 0.6759 0.7176 6.1158 6.1164 6.6239 6.6244 7.0555 7.0619 7.4966 7.5006 7.7746 7.7907 7.9225 7.9255 9.6508 9.6521 9.7364 9.7389 10.2863 10.2867 14.3408 14.3460 14.3572 14.3630 14.5986 14.5997 16.4303 16.4368 k = 0.2429 0.5000 0.5045 ( 2736 PWs) bands (ev): -45.9875 -45.9875 -22.7385 -22.7377 -22.1032 -22.1020 -22.0711 -22.0708 -14.2105 -14.2105 -5.9653 -5.9640 -5.7719 -5.7713 -5.6295 -5.6260 -1.2164 -1.1858 0.4907 0.4971 0.6344 0.6766 6.1134 6.1140 6.6243 6.6247 7.1126 7.1215 7.4313 7.4348 7.7720 7.7901 7.9364 7.9400 9.6824 9.6835 9.7703 9.7729 10.2891 10.2895 14.3626 14.3676 14.3790 14.3848 14.6089 14.6101 16.5045 16.5113 k = 0.2556 0.5000 0.5045 ( 2736 PWs) bands (ev): -45.9874 -45.9874 -22.7390 -22.7382 -22.1039 -22.1026 -22.0716 -22.0713 -14.2079 -14.2079 -5.9442 -5.9428 -5.7650 -5.7643 -5.6226 -5.6190 -1.2422 -1.2115 0.4623 0.4691 0.5937 0.6359 6.1103 6.1109 6.6247 6.6250 7.1671 7.1783 7.3623 7.3653 7.7751 7.7954 7.9507 7.9547 9.7148 9.7157 9.8058 9.8085 10.2919 10.2924 14.3846 14.3894 14.4014 14.4072 14.6193 14.6206 16.5728 16.5800 k = 0.2684 0.5000 0.5045 ( 2734 PWs) bands (ev): -45.9874 -45.9874 -22.7396 -22.7388 -22.1046 -22.1033 -22.0722 -22.0718 -14.2053 -14.2053 -5.9231 -5.9216 -5.7580 -5.7572 -5.6156 -5.6120 -1.2677 -1.2372 0.4342 0.4414 0.5538 0.5960 6.1066 6.1072 6.6251 6.6254 7.2137 7.2254 7.2997 7.3001 7.7819 7.8044 7.9647 7.9690 9.7478 9.7485 9.8426 9.8453 10.2947 10.2953 14.4067 14.4114 14.4243 14.4300 14.6299 14.6313 16.6343 16.6421 k = 0.2812 0.5000 0.5045 ( 2742 PWs) bands (ev): -45.9874 -45.9874 -22.7401 -22.7393 -22.1053 -22.1041 -22.0727 -22.0724 -14.2028 -14.2028 -5.9020 -5.9005 -5.7511 -5.7502 -5.6086 -5.6050 -1.2927 -1.2626 0.4064 0.4141 0.5151 0.5570 6.1022 6.1028 6.6254 6.6257 7.2036 7.2036 7.2896 7.3039 7.7912 7.8161 7.9782 7.9827 9.7814 9.7819 9.8802 9.8830 10.2975 10.2982 14.4287 14.4332 14.4474 14.4529 14.6406 14.6420 16.6883 16.6970 k = 0.2940 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9873 -45.9873 -22.7406 -22.7399 -22.1060 -22.1048 -22.0731 -22.0728 -14.2003 -14.2003 -5.8812 -5.8796 -5.7442 -5.7432 -5.6017 -5.5981 -1.3173 -1.2877 0.3793 0.3874 0.4776 0.5191 6.0969 6.0975 6.6258 6.6260 7.1392 7.1411 7.3303 7.3494 7.8029 7.8298 7.9909 7.9955 9.8153 9.8156 9.9184 9.9212 10.3003 10.3011 14.4505 14.4547 14.4706 14.4760 14.6514 14.6528 16.7345 16.7443 k = 0.3068 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9873 -45.9873 -22.7411 -22.7404 -22.1067 -22.1055 -22.0735 -22.0732 -14.1979 -14.1978 -5.8608 -5.8591 -5.7375 -5.7363 -5.5949 -5.5914 -1.3410 -1.3122 0.3529 0.3614 0.4417 0.4825 6.0908 6.0913 6.6261 6.6263 7.0738 7.0758 7.3729 7.3948 7.8167 7.8455 8.0027 8.0074 9.8493 9.8495 9.9567 9.9595 10.3029 10.3039 14.4718 14.4758 14.4938 14.4990 14.6622 14.6637 16.7728 16.7838 k = 0.3196 0.5000 0.5045 ( 2744 PWs) bands (ev): -45.9873 -45.9873 -22.7417 -22.7409 -22.1075 -22.1063 -22.0739 -22.0736 -14.1955 -14.1955 -5.8409 -5.8391 -5.7309 -5.7296 -5.5882 -5.5847 -1.3639 -1.3361 0.3275 0.3363 0.4075 0.4474 6.0836 6.0842 6.6264 6.6265 7.0111 7.0131 7.4124 7.4364 7.8328 7.8629 8.0136 8.0184 9.8831 9.8833 9.9949 9.9976 10.3056 10.3067 14.4925 14.4964 14.5167 14.5217 14.6730 14.6745 16.8034 16.8160 k = 0.3323 0.5000 0.5045 ( 2738 PWs) bands (ev): -45.9872 -45.9872 -22.7421 -22.7414 -22.1082 -22.1070 -22.0742 -22.0739 -14.1932 -14.1932 -5.8216 -5.8198 -5.7245 -5.7230 -5.5818 -5.5783 -1.3858 -1.3591 0.3030 0.3123 0.3751 0.4139 6.0755 6.0761 6.6266 6.6267 6.9523 6.9542 7.4479 7.4733 7.8512 7.8819 8.0235 8.0285 9.9166 9.9167 10.0324 10.0352 10.3081 10.3094 14.5125 14.5161 14.5393 14.5440 14.6837 14.6853 16.8271 16.8414 k = 0.3451 0.5000 0.5045 ( 2740 PWs) bands (ev): -45.9872 -45.9872 -22.7426 -22.7419 -22.1089 -22.1078 -22.0745 -22.0742 -14.1910 -14.1910 -5.8032 -5.8012 -5.7183 -5.7167 -5.5755 -5.5722 -1.4066 -1.3811 0.2798 0.2893 0.3447 0.3822 6.0664 6.0669 6.6268 6.6268 6.8979 6.8996 7.4792 7.5052 7.8719 7.9023 8.0324 8.0376 9.9494 9.9494 10.0690 10.0718 10.3105 10.3120 14.5315 14.5349 14.5613 14.5656 14.6945 14.6960 16.8446 16.8607 k = 0.3579 0.5000 0.5045 ( 2740 PWs) bands (ev): -45.9872 -45.9872 -22.7430 -22.7424 -22.1096 -22.1085 -22.0748 -22.0745 -14.1889 -14.1889 -5.7858 -5.7836 -5.7124 -5.7106 -5.5695 -5.5663 -1.4261 -1.4021 0.2579 0.2676 0.3164 0.3524 6.0564 6.0568 6.6268 6.6268 6.8483 6.8499 7.5062 7.5320 7.8944 7.9236 8.0405 8.0460 9.9811 9.9812 10.1043 10.1071 10.3128 10.3145 14.5495 14.5526 14.5825 14.5865 14.7051 14.7066 16.8569 16.8749 k = 0.3707 0.5000 0.5045 ( 2744 PWs) bands (ev): -45.9871 -45.9871 -22.7434 -22.7428 -22.1102 -22.1092 -22.0750 -22.0747 -14.1870 -14.1870 -5.7694 -5.7671 -5.7067 -5.7048 -5.5639 -5.5609 -1.4442 -1.4218 0.2375 0.2472 0.2905 0.3246 6.0455 6.0459 6.6266 6.6267 6.8038 6.8052 7.5292 7.5539 7.9182 7.9453 8.0477 8.0535 10.0115 10.0116 10.1379 10.1408 10.3149 10.3169 14.5662 14.5690 14.6027 14.6065 14.7155 14.7169 16.8650 16.8848 k = 0.3835 0.5000 0.5045 ( 2750 PWs) bands (ev): -45.9871 -45.9871 -22.7438 -22.7433 -22.1108 -22.1099 -22.0752 -22.0750 -14.1852 -14.1852 -5.7543 -5.7519 -5.7014 -5.6993 -5.5586 -5.5558 -1.4608 -1.4401 0.2186 0.2282 0.2670 0.2990 6.0341 6.0344 6.6261 6.6263 6.7646 6.7657 7.5485 7.5716 7.9425 7.9667 8.0540 8.0603 10.0403 10.0404 10.1695 10.1726 10.3169 10.3192 14.5815 14.5841 14.6218 14.6253 14.7257 14.7270 16.8698 16.8915 k = 0.3962 0.5000 0.5045 ( 2746 PWs) bands (ev): -45.9871 -45.9871 -22.7441 -22.7437 -22.1114 -22.1106 -22.0754 -22.0751 -14.1835 -14.1835 -5.7406 -5.7380 -5.6964 -5.6940 -5.5537 -5.5511 -1.4758 -1.4570 0.2015 0.2107 0.2460 0.2756 6.0223 6.0226 6.6253 6.6256 6.7308 6.7317 7.5646 7.5856 7.9666 7.9873 8.0597 8.0665 10.0671 10.0672 10.1988 10.2020 10.3187 10.3214 14.5954 14.5976 14.6396 14.6427 14.7356 14.7367 16.8722 16.8955 k = 0.4090 0.5000 0.5045 ( 2748 PWs) bands (ev): -45.9871 -45.9871 -22.7444 -22.7440 -22.1119 -22.1111 -22.0755 -22.0753 -14.1820 -14.1820 -5.7285 -5.7257 -5.6916 -5.6891 -5.5492 -5.5469 -1.4891 -1.4723 0.1861 0.1947 0.2277 0.2545 6.0105 6.0108 6.6238 6.6242 6.7025 6.7031 7.5779 7.5966 7.9895 8.0063 8.0647 8.0724 10.0916 10.0917 10.2253 10.2289 10.3204 10.3235 14.6076 14.6096 14.6559 14.6587 14.7449 14.7459 16.8729 16.8976 k = 0.4218 0.5000 0.5045 ( 2756 PWs) bands (ev): -45.9870 -45.9870 -22.7447 -22.7444 -22.1123 -22.1117 -22.0757 -22.0755 -14.1807 -14.1807 -5.7180 -5.7152 -5.6871 -5.6844 -5.5453 -5.5432 -1.5007 -1.4860 0.1726 0.1804 0.2122 0.2358 5.9991 5.9994 6.6211 6.6217 6.6800 6.6803 7.5888 7.6049 8.0106 8.0231 8.0692 8.0779 10.1135 10.1137 10.2489 10.2528 10.3219 10.3255 14.6183 14.6200 14.6705 14.6729 14.7536 14.7544 16.8727 16.8982 k = 0.4346 0.5000 0.5045 ( 2764 PWs) bands (ev): -45.9870 -45.9870 -22.7450 -22.7447 -22.1127 -22.1122 -22.0758 -22.0756 -14.1796 -14.1796 -5.7093 -5.7065 -5.6827 -5.6800 -5.5418 -5.5400 -1.5105 -1.4980 0.1610 0.1679 0.1993 0.2195 5.9886 5.9888 6.6168 6.6175 6.6636 6.6637 7.5977 7.6112 8.0291 8.0370 8.0736 8.0833 10.1327 10.1328 10.2691 10.2735 10.3233 10.3275 14.6274 14.6287 14.6833 14.6853 14.7614 14.7621 16.8722 16.8977 k = 0.4474 0.5000 0.5045 ( 2774 PWs) bands (ev): -45.9870 -45.9870 -22.7452 -22.7449 -22.1131 -22.1126 -22.0759 -22.0758 -14.1786 -14.1786 -5.7024 -5.6999 -5.6785 -5.6761 -5.5389 -5.5374 -1.5183 -1.5081 0.1516 0.1572 0.1892 0.2057 5.9792 5.9794 6.6106 6.6114 6.6531 6.6533 7.6048 7.6157 8.0441 8.0479 8.0780 8.0884 10.1487 10.1488 10.2856 10.2906 10.3247 10.3296 14.6348 14.6358 14.6941 14.6957 14.7682 14.7687 16.8719 16.8962 k = 0.4602 0.5000 0.5045 ( 2778 PWs) bands (ev): -45.9870 -45.9870 -22.7454 -22.7452 -22.1133 -22.1130 -22.0760 -22.0759 -14.1779 -14.1779 -5.6972 -5.6951 -5.6747 -5.6727 -5.5365 -5.5354 -1.5243 -1.5164 0.1442 0.1486 0.1817 0.1945 5.9715 5.9716 6.6037 6.6044 6.6473 6.6475 7.6104 7.6187 8.0549 8.0558 8.0831 8.0931 10.1615 10.1616 10.2983 10.3036 10.3265 10.3317 14.6406 14.6413 14.7027 14.7040 14.7737 14.7741 16.8723 16.8939 k = 0.4729 0.5000 0.5045 ( 2780 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7453 -22.1135 -22.1132 -22.0760 -22.0760 -14.1774 -14.1774 -5.6935 -5.6920 -5.6715 -5.6701 -5.5348 -5.5340 -1.5283 -1.5228 0.1390 0.1420 0.1769 0.1858 5.9656 5.9657 6.5978 6.5983 6.6444 6.6445 7.6147 7.6204 8.0610 8.0615 8.0887 8.0966 10.1709 10.1710 10.3071 10.3118 10.3290 10.3338 14.6448 14.6453 14.7091 14.7100 14.7779 14.7782 16.8739 16.8907 k = 0.4857 0.5000 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7454 -22.1135 -22.1134 -22.0761 -22.0760 -14.1770 -14.1770 -5.6912 -5.6904 -5.6692 -5.6684 -5.5336 -5.5332 -1.5303 -1.5273 0.1360 0.1377 0.1747 0.1796 5.9619 5.9620 6.5939 6.5941 6.6430 6.6431 7.6178 7.6209 8.0642 8.0647 8.0936 8.0983 10.1768 10.1768 10.3124 10.3154 10.3322 10.3352 14.6474 14.6477 14.7132 14.7137 14.7805 14.7807 16.8767 16.8867 k = 0.4985 0.5000 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6902 -5.6901 -5.6681 -5.6679 -5.5330 -5.5330 -1.5303 -1.5297 0.1353 0.1356 0.1751 0.1761 5.9605 5.9605 6.5923 6.5924 6.6425 6.6426 7.6197 7.6203 8.0656 8.0657 8.0968 8.0977 10.1790 10.1790 10.3150 10.3156 10.3346 10.3351 14.6485 14.6485 14.7149 14.7150 14.7816 14.7816 16.8807 16.8826 k = 0.4985 0.5000 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6902 -5.6901 -5.6681 -5.6679 -5.5330 -5.5330 -1.5303 -1.5297 0.1353 0.1356 0.1751 0.1761 5.9605 5.9605 6.5923 6.5924 6.6425 6.6426 7.6197 7.6203 8.0656 8.0657 8.0968 8.0977 10.1790 10.1790 10.3150 10.3156 10.3346 10.3351 14.6485 14.6485 14.7149 14.7150 14.7816 14.7816 16.8807 16.8826 k = 0.4896 0.4911 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7454 -22.1136 -22.1134 -22.0761 -22.0760 -14.1770 -14.1770 -5.6912 -5.6901 -5.6696 -5.6685 -5.5337 -5.5331 -1.5307 -1.5267 0.1358 0.1381 0.1740 0.1805 5.9619 5.9619 6.5940 6.5944 6.6429 6.6431 7.6172 7.6213 8.0635 8.0641 8.0935 8.0995 10.1768 10.1768 10.3121 10.3162 10.3313 10.3353 14.6473 14.6476 14.7131 14.7137 14.7805 14.7807 16.8739 16.8870 k = 0.4807 0.4821 0.5045 ( 2780 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7453 -22.1135 -22.1132 -22.0760 -22.0759 -14.1774 -14.1774 -5.6931 -5.6912 -5.6724 -5.6705 -5.5350 -5.5339 -1.5292 -1.5218 0.1385 0.1427 0.1754 0.1874 5.9653 5.9654 6.5985 6.5992 6.6440 6.6443 7.6134 7.6212 8.0590 8.0591 8.0899 8.1000 10.1712 10.1712 10.3073 10.3150 10.3256 10.3333 14.6445 14.6452 14.7089 14.7101 14.7777 14.7781 16.8672 16.8889 k = 0.4718 0.4732 0.5045 ( 2776 PWs) bands (ev): -45.9870 -45.9870 -22.7454 -22.7451 -22.1134 -22.1129 -22.0760 -22.0759 -14.1779 -14.1779 -5.6961 -5.6936 -5.6762 -5.6737 -5.5368 -5.5353 -1.5258 -1.5150 0.1433 0.1493 0.1795 0.1970 5.9708 5.9709 6.6058 6.6067 6.6458 6.6462 7.6085 7.6199 8.0498 8.0524 8.0866 8.0991 10.1623 10.1624 10.3002 10.3115 10.3184 10.3296 14.6403 14.6413 14.7024 14.7041 14.7735 14.7740 16.8620 16.8895 k = 0.4629 0.4643 0.5045 ( 2768 PWs) bands (ev): -45.9870 -45.9870 -22.7452 -22.7449 -22.1131 -22.1125 -22.0759 -22.0757 -14.1786 -14.1786 -5.7008 -5.6982 -5.6800 -5.6775 -5.5392 -5.5372 -1.5204 -1.5063 0.1500 0.1575 0.1865 0.2092 5.9783 5.9784 6.6157 6.6169 6.6484 6.6488 7.6021 7.6174 8.0369 8.0435 8.0836 8.0971 10.1502 10.1504 10.2906 10.3032 10.3122 10.3244 14.6345 14.6358 14.6935 14.6958 14.7677 14.7684 16.8590 16.8903 k = 0.4540 0.4554 0.5045 ( 2760 PWs) bands (ev): -45.9870 -45.9870 -22.7450 -22.7446 -22.1128 -22.1120 -22.0758 -22.0756 -14.1796 -14.1796 -5.7076 -5.7056 -5.6833 -5.6815 -5.5421 -5.5397 -1.5133 -1.4959 0.1584 0.1670 0.1969 0.2241 5.9877 5.9878 6.6283 6.6298 6.6518 6.6523 7.5943 7.6136 8.0207 8.0323 8.0805 8.0942 10.1350 10.1352 10.2786 10.2904 10.3068 10.3181 14.6273 14.6289 14.6822 14.6851 14.7605 14.7613 16.8588 16.8925 k = 0.4451 0.4464 0.5045 ( 2768 PWs) bands (ev): -45.9871 -45.9871 -22.7449 -22.7443 -22.1125 -22.1116 -22.0758 -22.0755 -14.1807 -14.1807 -5.7168 -5.7158 -5.6860 -5.6852 -5.5455 -5.5426 -1.5044 -1.4838 0.1686 0.1773 0.2109 0.2417 5.9989 5.9989 6.6434 6.6450 6.6562 6.6568 7.5849 7.6083 8.0018 8.0192 8.0773 8.0907 10.1168 10.1170 10.2640 10.2749 10.3006 10.3107 14.6186 14.6204 14.6686 14.6720 14.7518 14.7528 16.8615 16.8967 k = 0.4362 0.4375 0.5045 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7446 -22.7439 -22.1120 -22.1110 -22.0757 -22.0754 -14.1820 -14.1820 -5.7284 -5.7284 -5.6887 -5.6884 -5.5492 -5.5460 -1.4937 -1.4701 0.1803 0.1885 0.2283 0.2620 6.0116 6.0117 6.6591 6.6592 6.6643 6.6653 7.5738 7.6013 7.9808 8.0043 8.0739 8.0867 10.0957 10.0959 10.2472 10.2573 10.2934 10.3023 14.6085 14.6106 14.6526 14.6566 14.7419 14.7429 16.8672 16.9032 k = 0.4273 0.4286 0.5045 ( 2752 PWs) bands (ev): -45.9871 -45.9871 -22.7443 -22.7436 -22.1115 -22.1103 -22.0755 -22.0752 -14.1835 -14.1835 -5.7430 -5.7422 -5.6921 -5.6908 -5.5533 -5.5498 -1.4815 -1.4549 0.1935 0.2007 0.2490 0.2850 6.0258 6.0260 6.6664 6.6672 6.6828 6.6848 7.5606 7.5924 7.9583 7.9881 8.0702 8.0823 10.0719 10.0721 10.2283 10.2380 10.2849 10.2929 14.5970 14.5993 14.6342 14.6388 14.7307 14.7318 16.8755 16.9120 k = 0.4184 0.4196 0.5045 ( 2752 PWs) bands (ev): -45.9871 -45.9871 -22.7439 -22.7432 -22.1109 -22.1096 -22.0754 -22.0750 -14.1852 -14.1852 -5.7596 -5.7581 -5.6954 -5.6933 -5.5577 -5.5538 -1.4677 -1.4382 0.2080 0.2141 0.2726 0.3106 6.0412 6.0415 6.6738 6.6748 6.7055 6.7076 7.5452 7.5811 7.9351 7.9712 8.0662 8.0776 10.0456 10.0457 10.2077 10.2171 10.2753 10.2824 14.5841 14.5866 14.6135 14.6187 14.7183 14.7194 16.8863 16.9228 k = 0.4095 0.4107 0.5045 ( 2752 PWs) bands (ev): -45.9871 -45.9871 -22.7436 -22.7427 -22.1103 -22.1089 -22.0753 -22.0749 -14.1871 -14.1871 -5.7778 -5.7757 -5.6988 -5.6960 -5.5623 -5.5581 -1.4526 -1.4203 0.2240 0.2287 0.2988 0.3386 6.0577 6.0582 6.6825 6.6834 6.7307 6.7327 7.5274 7.5671 7.9120 7.9542 8.0620 8.0727 10.0169 10.0171 10.1856 10.1950 10.2644 10.2708 14.5698 14.5726 14.5907 14.5963 14.7049 14.7060 16.8990 16.9351 k = 0.4006 0.4018 0.5045 ( 2752 PWs) bands (ev): -45.9872 -45.9872 -22.7432 -22.7422 -22.1096 -22.1081 -22.0752 -22.0747 -14.1892 -14.1891 -5.7977 -5.7950 -5.7024 -5.6989 -5.5671 -5.5626 -1.4361 -1.4011 0.2413 0.2445 0.3274 0.3688 6.0750 6.0757 6.6925 6.6935 6.7580 6.7601 7.5070 7.5500 7.8898 7.9375 8.0577 8.0677 9.9862 9.9862 10.1623 10.1718 10.2522 10.2580 14.5534 14.5568 14.5664 14.5721 14.6905 14.6915 16.9129 16.9483 k = 0.3917 0.3929 0.5045 ( 2752 PWs) bands (ev): -45.9872 -45.9872 -22.7427 -22.7417 -22.1088 -22.1072 -22.0750 -22.0745 -14.1914 -14.1914 -5.8190 -5.8160 -5.7061 -5.7020 -5.5719 -5.5672 -1.4183 -1.3809 0.2598 0.2617 0.3582 0.4012 6.0929 6.0938 6.7041 6.7050 6.7875 6.7895 7.4840 7.5294 7.8693 7.9219 8.0533 8.0626 9.9534 9.9535 10.1381 10.1479 10.2387 10.2440 14.5318 14.5374 14.5437 14.5480 14.6751 14.6762 16.9272 16.9617 k = 0.3828 0.3839 0.5045 ( 2748 PWs) bands (ev): -45.9872 -45.9872 -22.7422 -22.7412 -22.1080 -22.1063 -22.0748 -22.0742 -14.1938 -14.1937 -5.8418 -5.8383 -5.7099 -5.7053 -5.5767 -5.5718 -1.3995 -1.3598 0.2796 0.2801 0.3910 0.4354 6.1110 6.1122 6.7174 6.7183 6.8187 6.8206 7.4584 7.5052 7.8513 7.9078 8.0490 8.0576 9.9190 9.9192 10.1132 10.1233 10.2239 10.2287 14.5034 14.5108 14.5247 14.5278 14.6589 14.6599 16.9410 16.9741 k = 0.3739 0.3750 0.5045 ( 2742 PWs) bands (ev): -45.9873 -45.9873 -22.7417 -22.7405 -22.1071 -22.1052 -22.0746 -22.0740 -14.1963 -14.1963 -5.8658 -5.8620 -5.7139 -5.7088 -5.5814 -5.5764 -1.3798 -1.3378 0.2998 0.3006 0.4255 0.4713 6.1293 6.1307 6.7327 6.7335 6.8517 6.8534 7.4302 7.4773 7.8362 7.8956 8.0449 8.0526 9.8831 9.8835 10.0877 10.0983 10.2077 10.2120 14.4712 14.4795 14.5062 14.5091 14.6420 14.6429 16.9530 16.9843 k = 0.3650 0.3661 0.5045 ( 2754 PWs) bands (ev): -45.9873 -45.9873 -22.7412 -22.7400 -22.1062 -22.1043 -22.0744 -22.0738 -14.1990 -14.1990 -5.8910 -5.8869 -5.7180 -5.7125 -5.5860 -5.5808 -1.3591 -1.3152 0.3206 0.3227 0.4615 0.5086 6.1473 6.1490 6.7500 6.7506 6.8860 6.8875 7.4000 7.4462 7.8243 7.8855 8.0411 8.0478 9.8460 9.8466 10.0618 10.0730 10.1902 10.1940 14.4364 14.4455 14.4872 14.4900 14.6244 14.6252 16.9618 16.9911 k = 0.3561 0.3571 0.5045 ( 2750 PWs) bands (ev): -45.9874 -45.9874 -22.7406 -22.7394 -22.1052 -22.1032 -22.0741 -22.0735 -14.2018 -14.2018 -5.9173 -5.9129 -5.7223 -5.7164 -5.5904 -5.5851 -1.3378 -1.2919 0.3425 0.3459 0.4989 0.5471 6.1649 6.1668 6.7695 6.7700 6.9215 6.9227 7.3680 7.4124 7.8154 7.8779 8.0378 8.0435 9.8080 9.8088 10.0356 10.0475 10.1712 10.1746 14.3993 14.4091 14.4677 14.4705 14.6062 14.6070 16.9661 16.9930 k = 0.3472 0.3482 0.5045 ( 2746 PWs) bands (ev): -45.9874 -45.9874 -22.7399 -22.7387 -22.1042 -22.1020 -22.0739 -22.0732 -14.2048 -14.2048 -5.9445 -5.9399 -5.7267 -5.7204 -5.5945 -5.5891 -1.3158 -1.2682 0.3656 0.3701 0.5372 0.5866 6.1818 6.1840 6.7914 6.7915 6.9578 6.9586 7.3349 7.3767 7.8096 7.8726 8.0351 8.0396 9.7694 9.7705 10.0093 10.0218 10.1508 10.1537 14.3599 14.3704 14.4477 14.4504 14.5876 14.5883 16.9643 16.9886 k = 0.3383 0.3393 0.5045 ( 2742 PWs) bands (ev): -45.9874 -45.9874 -22.7393 -22.7380 -22.1031 -22.1009 -22.0736 -22.0730 -14.2079 -14.2079 -5.9726 -5.9677 -5.7313 -5.7246 -5.5983 -5.5928 -1.2932 -1.2441 0.3896 0.3952 0.5763 0.6267 6.1979 6.2003 6.8153 6.8155 6.9945 6.9948 7.3013 7.3400 7.8064 7.8697 8.0334 8.0364 9.7304 9.7318 9.9829 9.9960 10.1289 10.1314 14.3184 14.3296 14.4273 14.4300 14.5686 14.5691 16.9552 16.9768 k = 0.3294 0.3304 0.5045 ( 2746 PWs) bands (ev): -45.9875 -45.9875 -22.7386 -22.7373 -22.1019 -22.0997 -22.0734 -22.0727 -14.2111 -14.2111 -6.0014 -5.9964 -5.7360 -5.7290 -5.6017 -5.5961 -1.2703 -1.2198 0.4146 0.4212 0.6158 0.6672 6.2131 6.2156 6.8414 6.8420 7.0308 7.0312 7.2683 7.3032 7.8057 7.8692 8.0327 8.0342 9.6913 9.6931 9.9564 9.9702 10.1056 10.1076 14.2749 14.2868 14.4066 14.4091 14.5492 14.5497 16.9378 16.9568 k = 0.3205 0.3214 0.5045 ( 2742 PWs) bands (ev): -45.9875 -45.9875 -22.7379 -22.7366 -22.1007 -22.0984 -22.0731 -22.0724 -14.2144 -14.2144 -6.0309 -6.0256 -5.7407 -5.7335 -5.6047 -5.5990 -1.2471 -1.1954 0.4404 0.4481 0.6556 0.7078 6.2272 6.2299 6.8697 6.8708 7.0654 7.0672 7.2371 7.2676 7.8071 7.8707 8.0333 8.0335 9.6525 9.6547 9.9299 9.9444 10.0807 10.0822 14.2295 14.2421 14.3857 14.3881 14.5296 14.5300 16.9117 16.9284 k = 0.3116 0.3125 0.5045 ( 2746 PWs) bands (ev): -45.9876 -45.9876 -22.7373 -22.7358 -22.0996 -22.0972 -22.0728 -22.0721 -14.2179 -14.2178 -6.0609 -6.0555 -5.7456 -5.7381 -5.6071 -5.6015 -1.2237 -1.1710 0.4670 0.4757 0.6954 0.7482 6.2402 6.2430 6.9001 6.9016 7.0963 7.1010 7.2104 7.2348 7.8103 7.8741 8.0340 8.0360 9.6143 9.6170 9.9034 9.9185 10.0544 10.0553 14.1822 14.1955 14.3646 14.3670 14.5099 14.5102 16.8770 16.8917 k = 0.3027 0.3036 0.5045 ( 2746 PWs) bands (ev): -45.9876 -45.9876 -22.7365 -22.7351 -22.0983 -22.0959 -22.0726 -22.0718 -14.2214 -14.2213 -6.0913 -6.0858 -5.7505 -5.7428 -5.6091 -5.6034 -1.2002 -1.1466 0.4943 0.5039 0.7347 0.7881 6.2522 6.2551 6.9323 6.9343 7.1158 7.1282 7.1964 7.2098 7.8149 7.8788 8.0369 8.0408 9.5769 9.5801 9.8768 9.8924 10.0266 10.0268 14.1332 14.1473 14.3437 14.3459 14.4901 14.4903 16.8342 16.8472 k = 0.2938 0.2946 0.5045 ( 2746 PWs) bands (ev): -45.9877 -45.9877 -22.7358 -22.7343 -22.0970 -22.0946 -22.0723 -22.0715 -14.2249 -14.2249 -6.1220 -6.1164 -5.7555 -5.7477 -5.6104 -5.6048 -1.1768 -1.1224 0.5223 0.5328 0.7735 0.8272 6.2632 6.2661 6.9661 6.9685 7.1127 7.1343 7.2065 7.2075 7.8204 7.8845 8.0424 8.0481 9.5408 9.5446 9.8503 9.8663 9.9968 9.9973 14.0826 14.0974 14.3228 14.3250 14.4704 14.4705 16.7841 16.7958 k = 0.2849 0.2857 0.5045 ( 2742 PWs) bands (ev): -45.9877 -45.9877 -22.7350 -22.7335 -22.0957 -22.0932 -22.0720 -22.0712 -14.2286 -14.2286 -6.1529 -6.1472 -5.7605 -5.7526 -5.6112 -5.6056 -1.1534 -1.0985 0.5507 0.5621 0.8114 0.8653 6.2733 6.2762 7.0010 7.0035 7.0963 7.1181 7.2295 7.2322 7.8266 7.8905 8.0513 8.0583 9.5062 9.5107 9.8236 9.8399 9.9652 9.9666 14.0306 14.0461 14.3022 14.3043 14.4507 14.4508 16.7275 16.7383 k = 0.2760 0.2768 0.5045 ( 2734 PWs) bands (ev): -45.9878 -45.9878 -22.7342 -22.7327 -22.0943 -22.0918 -22.0716 -22.0708 -14.2323 -14.2323 -6.1839 -6.1782 -5.7656 -5.7575 -5.6114 -5.6058 -1.1303 -1.0749 0.5796 0.5919 0.8481 0.9021 6.2826 6.2855 7.0360 7.0372 7.0803 7.0979 7.2587 7.2619 7.8329 7.8964 8.0640 8.0719 9.4735 9.4788 9.7968 9.8131 9.9321 9.9346 13.9772 13.9935 14.2820 14.2840 14.4313 14.4314 16.6655 16.6757 k = 0.2671 0.2679 0.5045 ( 2738 PWs) bands (ev): -45.9878 -45.9878 -22.7335 -22.7320 -22.0930 -22.0905 -22.0713 -22.0705 -14.2361 -14.2360 -6.2149 -6.2092 -5.7707 -5.7625 -5.6110 -5.6054 -1.1074 -1.0518 0.6088 0.6220 0.8835 0.9374 6.2911 6.2940 7.0506 7.0628 7.0871 7.0882 7.2888 7.2922 7.8391 7.9017 8.0805 8.0888 9.4432 9.4492 9.7699 9.7860 9.8974 9.9013 13.9228 13.9397 14.2622 14.2641 14.4122 14.4122 16.5989 16.6086 k = 0.2582 0.2589 0.5045 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7327 -22.7312 -22.0917 -22.0892 -22.0710 -22.0703 -14.2399 -14.2398 -6.2459 -6.2401 -5.7758 -5.7675 -5.6099 -5.6044 -1.0849 -1.0293 0.6382 0.6523 0.9172 0.9708 6.2990 6.3018 7.0410 7.0560 7.1156 7.1202 7.3186 7.3221 7.8449 7.9063 8.1010 8.1091 9.4154 9.4224 9.7426 9.7582 9.8613 9.8668 13.8674 13.8850 14.2429 14.2448 14.3933 14.3933 16.5286 16.5380 k = 0.2493 0.2500 0.5045 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7319 -22.7305 -22.0903 -22.0878 -22.0707 -22.0699 -14.2437 -14.2436 -6.2766 -6.2709 -5.7808 -5.7726 -5.6082 -5.6028 -1.0629 -1.0073 0.6678 0.6828 0.9493 1.0023 6.3064 6.3092 7.0321 7.0452 7.1509 7.1562 7.3477 7.3514 7.8503 7.9103 8.1250 8.1325 9.3907 9.3986 9.7151 9.7296 9.8238 9.8315 13.8112 13.8295 14.2243 14.2261 14.3749 14.3750 16.4551 16.4645 k = 0.2403 0.2411 0.5045 ( 2746 PWs) bands (ev): -45.9880 -45.9880 -22.7312 -22.7297 -22.0890 -22.0865 -22.0704 -22.0696 -14.2475 -14.2475 -6.3071 -6.3014 -5.7858 -5.7776 -5.6059 -5.6005 -1.0414 -0.9860 0.6974 0.7134 0.9793 1.0316 6.3134 6.3161 7.0273 7.0382 7.1862 7.1918 7.3762 7.3802 7.8554 7.9139 8.1521 8.1587 9.3693 9.3784 9.6871 9.6999 9.7849 9.7954 13.7546 13.7735 14.2065 14.2081 14.3570 14.3571 16.3792 16.3886 k = 0.2314 0.2321 0.5045 ( 2742 PWs) bands (ev): -45.9880 -45.9880 -22.7304 -22.7289 -22.0876 -22.0851 -22.0701 -22.0693 -14.2513 -14.2513 -6.3372 -6.3316 -5.7908 -5.7826 -5.6030 -5.5977 -1.0206 -0.9655 0.7270 0.7438 1.0074 1.0586 6.3200 6.3228 7.0271 7.0361 7.2203 7.2260 7.4043 7.4085 7.8603 7.9174 8.1817 8.1871 9.3516 9.3618 9.6586 9.6689 9.7449 9.7588 13.6977 13.7172 14.1894 14.1909 14.3396 14.3398 16.3014 16.3108 k = 0.2225 0.2232 0.5045 ( 2746 PWs) bands (ev): -45.9881 -45.9881 -22.7296 -22.7281 -22.0862 -22.0838 -22.0697 -22.0690 -14.2551 -14.2551 -6.3669 -6.3614 -5.7957 -5.7876 -5.5995 -5.5943 -1.0004 -0.9459 0.7563 0.7741 1.0333 1.0832 6.3265 6.3292 7.0318 7.0392 7.2525 7.2583 7.4321 7.4365 7.8651 7.9209 8.2132 8.2173 9.3377 9.3493 9.6293 9.6361 9.7038 9.7223 13.6407 13.6609 14.1731 14.1745 14.3229 14.3231 16.2221 16.2316 k = 0.2136 0.2143 0.5045 ( 2750 PWs) bands (ev): -45.9882 -45.9882 -22.7288 -22.7274 -22.0849 -22.0825 -22.0694 -22.0687 -14.2589 -14.2589 -6.3961 -6.3906 -5.8005 -5.7925 -5.5955 -5.5904 -0.9809 -0.9271 0.7854 0.8042 1.0570 1.1054 6.3328 6.3355 7.0418 7.0477 7.2825 7.2883 7.4596 7.4643 7.8701 7.9247 8.2462 8.2489 9.3279 9.3409 9.5992 9.6013 9.6619 9.6860 13.5841 13.6048 14.1577 14.1590 14.3069 14.3071 16.1417 16.1513 k = 0.2047 0.2054 0.5045 ( 2750 PWs) bands (ev): -45.9882 -45.9882 -22.7281 -22.7267 -22.0835 -22.0812 -22.0691 -22.0684 -14.2626 -14.2626 -6.4247 -6.4193 -5.8053 -5.7974 -5.5909 -5.5859 -0.9623 -0.9092 0.8140 0.8339 1.0786 1.1251 6.3391 6.3417 7.0569 7.0616 7.3101 7.3157 7.4869 7.4916 7.8753 7.9289 8.2804 8.2815 9.3223 9.3367 9.5642 9.5677 9.6195 9.6502 13.5280 13.5492 14.1432 14.1444 14.2916 14.2919 16.0607 16.0705 k = 0.1958 0.1964 0.5045 ( 2754 PWs) bands (ev): -45.9883 -45.9883 -22.7273 -22.7260 -22.0822 -22.0799 -22.0688 -22.0681 -14.2663 -14.2663 -6.4525 -6.4473 -5.8099 -5.8022 -5.5858 -5.5810 -0.9444 -0.8924 0.8421 0.8632 1.0980 1.1424 6.3453 6.3478 7.0773 7.0809 7.3351 7.3406 7.5135 7.5182 7.8810 7.9338 8.3149 8.3155 9.3206 9.3365 9.5248 9.5344 9.5774 9.6151 13.4727 13.4944 14.1297 14.1308 14.2771 14.2774 15.9794 15.9892 k = 0.1869 0.1875 0.5045 ( 2746 PWs) bands (ev): -45.9883 -45.9883 -22.7266 -22.7252 -22.0809 -22.0786 -22.0685 -22.0678 -14.2699 -14.2699 -6.4797 -6.4746 -5.8144 -5.8069 -5.5803 -5.5756 -0.9275 -0.8766 0.8696 0.8919 1.1153 1.1573 6.3515 6.3540 7.1028 7.1057 7.3578 7.3632 7.5391 7.5436 7.8872 7.9394 8.3492 8.3516 9.3229 9.3403 9.4833 9.4984 9.5363 9.5805 13.4187 13.4407 14.1171 14.1181 14.2635 14.2638 15.8980 15.9080 k = 0.1780 0.1786 0.5045 ( 2746 PWs) bands (ev): -45.9883 -45.9883 -22.7258 -22.7245 -22.0796 -22.0774 -22.0682 -22.0675 -14.2734 -14.2734 -6.5060 -6.5010 -5.8188 -5.8115 -5.5744 -5.5698 -0.9115 -0.8618 0.8963 0.9200 1.1308 1.1699 6.3578 6.3602 7.1334 7.1356 7.3784 7.3836 7.5631 7.5673 7.8942 7.9459 8.3843 8.3886 9.3286 9.3473 9.4401 9.4588 9.4973 9.5461 13.3661 13.3885 14.1055 14.1063 14.2507 14.2511 15.8169 15.8269 k = 0.1691 0.1696 0.5045 ( 2746 PWs) bands (ev): -45.9884 -45.9884 -22.7251 -22.7239 -22.0783 -22.0762 -22.0678 -22.0672 -14.2769 -14.2769 -6.5314 -6.5266 -5.8231 -5.8159 -5.5682 -5.5637 -0.8964 -0.8482 0.9220 0.9472 1.1444 1.1803 6.3640 6.3664 7.1687 7.1706 7.3971 7.4022 7.5851 7.5888 7.9019 7.9533 8.4205 8.4266 9.3372 9.3563 9.3963 9.4160 9.4600 9.5116 13.3154 13.3381 14.0948 14.0955 14.2388 14.2393 15.7364 15.7465 k = 0.1602 0.1607 0.5045 ( 2746 PWs) bands (ev): -45.9884 -45.9884 -22.7244 -22.7232 -22.0771 -22.0751 -22.0676 -22.0669 -14.2802 -14.2802 -6.5559 -6.5513 -5.8272 -5.8203 -5.5616 -5.5574 -0.8823 -0.8357 0.9467 0.9736 1.1564 1.1888 6.3704 6.3726 7.2086 7.2103 7.4142 7.4193 7.6046 7.6076 7.9106 7.9618 8.4578 8.4659 9.3449 9.3477 9.3713 9.3742 9.4238 9.4769 13.2669 13.2897 14.0851 14.0856 14.2278 14.2284 15.6567 15.6668 k = 0.1513 0.1518 0.5045 ( 2750 PWs) bands (ev): -45.9885 -45.9885 -22.7238 -22.7226 -22.0759 -22.0740 -22.0673 -22.0667 -14.2835 -14.2835 -6.5794 -6.5750 -5.8311 -5.8245 -5.5549 -5.5509 -0.8692 -0.8243 0.9702 0.9989 1.1670 1.1955 6.3767 6.3789 7.2527 7.2545 7.4300 7.4351 7.6213 7.6236 7.9202 7.9712 8.4966 8.5066 9.2999 9.3243 9.3598 9.3861 9.3887 9.4419 13.2209 13.2438 14.0762 14.0766 14.2178 14.2185 15.5781 15.5882 k = 0.1424 0.1429 0.5045 ( 2752 PWs) bands (ev): -45.9885 -45.9885 -22.7231 -22.7220 -22.0748 -22.0730 -22.0670 -22.0664 -14.2866 -14.2866 -6.6018 -6.5976 -5.8348 -5.8285 -5.5480 -5.5442 -0.8571 -0.8140 0.9923 1.0230 1.1765 1.2006 6.3831 6.3852 7.3007 7.3027 7.4447 7.4498 7.6350 7.6366 7.9308 7.9818 8.5369 8.5488 9.2527 9.2777 9.3466 9.3782 9.3973 9.4095 13.1777 13.2006 14.0683 14.0684 14.2087 14.2095 15.5010 15.5110 k = 0.1335 0.1339 0.5045 ( 2752 PWs) bands (ev): -45.9886 -45.9886 -22.7225 -22.7215 -22.0737 -22.0720 -22.0667 -22.0662 -14.2896 -14.2896 -6.6232 -6.6192 -5.8384 -5.8323 -5.5411 -5.5374 -0.8459 -0.8048 1.0130 1.0459 1.1850 1.2044 6.3894 6.3915 7.3521 7.3547 7.4585 7.4637 7.6459 7.6466 7.9424 7.9935 8.5788 8.5925 9.2049 9.2307 9.3099 9.3677 9.3907 9.4174 13.1376 13.1603 14.0611 14.0611 14.2005 14.2014 15.4256 15.4355 k = 0.1246 0.1250 0.5045 ( 2752 PWs) bands (ev): -45.9886 -45.9886 -22.7219 -22.7209 -22.0727 -22.0710 -22.0664 -22.0659 -14.2925 -14.2924 -6.6433 -6.6395 -5.8417 -5.8360 -5.5341 -5.5306 -0.8357 -0.7967 1.0319 1.0672 1.1930 1.2073 6.3957 6.3977 7.4064 7.4098 7.4717 7.4769 7.6539 7.6539 7.9552 8.0062 8.6222 8.6376 9.1569 9.1840 9.2710 9.3303 9.4038 9.4314 13.1008 13.1232 14.0545 14.0547 14.1933 14.1943 15.3522 15.3619 k = 0.1157 0.1161 0.5045 ( 2756 PWs) bands (ev): -45.9886 -45.9886 -22.7214 -22.7205 -22.0717 -22.0702 -22.0661 -22.0657 -14.2952 -14.2951 -6.6623 -6.6587 -5.8449 -5.8395 -5.5272 -5.5240 -0.8263 -0.7896 1.0490 1.0868 1.2005 1.2095 6.4019 6.4037 7.4619 7.4657 7.4861 7.4909 7.6585 7.6593 7.9689 8.0201 8.6670 8.6840 9.1091 9.1377 9.2307 9.2917 9.4157 9.4444 13.0676 13.0895 14.0487 14.0491 14.1869 14.1881 15.2811 15.2907 k = 0.1068 0.1071 0.5045 ( 2754 PWs) bands (ev): -45.9887 -45.9887 -22.7209 -22.7200 -22.0708 -22.0694 -22.0658 -22.0655 -14.2977 -14.2977 -6.6800 -6.6767 -5.8478 -5.8428 -5.5205 -5.5174 -0.8179 -0.7835 1.0642 1.1043 1.2078 1.2116 6.4079 6.4097 7.4928 7.4970 7.5266 7.5311 7.6609 7.6623 7.9837 8.0349 8.7130 8.7315 9.0617 9.0924 9.1893 9.2521 9.4258 9.4552 13.0380 13.0594 14.0435 14.0441 14.1815 14.1827 15.2128 15.2221 k = 0.0979 0.0982 0.5045 ( 2754 PWs) bands (ev): -45.9887 -45.9887 -22.7204 -22.7196 -22.0699 -22.0687 -22.0655 -22.0653 -14.3001 -14.3000 -6.6964 -6.6933 -5.8505 -5.8458 -5.5139 -5.5111 -0.8103 -0.7784 1.0775 1.1193 1.2139 1.2151 6.4138 6.4154 7.5045 7.5097 7.5853 7.5927 7.6617 7.6633 7.9993 8.0507 8.7599 8.7797 9.0150 9.0482 9.1466 9.2115 9.4333 9.4634 13.0122 13.0327 14.0390 14.0397 14.1768 14.1781 15.1476 15.1565 k = 0.0890 0.0893 0.5045 ( 2756 PWs) bands (ev): -45.9887 -45.9887 -22.7199 -22.7192 -22.0692 -22.0681 -22.0653 -22.0651 -14.3022 -14.3022 -6.7115 -6.7087 -5.8530 -5.8487 -5.5076 -5.5050 -0.8035 -0.7742 1.0888 1.1315 1.2170 1.2224 6.4194 6.4209 7.5151 7.5206 7.6424 7.6558 7.6630 7.6646 8.0158 8.0672 8.8074 8.8285 8.9693 9.0056 9.1028 9.1702 9.4378 9.4685 12.9901 13.0097 14.0351 14.0359 14.1730 14.1743 15.0859 15.0944 k = 0.0801 0.0804 0.5045 ( 2752 PWs) bands (ev): -45.9888 -45.9888 -22.7195 -22.7188 -22.0684 -22.0675 -22.0650 -22.0648 -14.3042 -14.3042 -6.7253 -6.7227 -5.8552 -5.8513 -5.5017 -5.4994 -0.7975 -0.7708 1.0984 1.1406 1.2214 1.2297 6.4246 6.4260 7.5250 7.5308 7.6544 7.6603 7.7118 7.7205 8.0329 8.0843 8.8550 8.8773 8.9252 8.9649 9.0582 9.1282 9.4390 9.4700 12.9716 12.9900 14.0318 14.0326 14.1698 14.1711 15.0281 15.0361 k = 0.0712 0.0714 0.5045 ( 2752 PWs) bands (ev): -45.9888 -45.9888 -22.7191 -22.7185 -22.0678 -22.0670 -22.0647 -22.0647 -14.3061 -14.3061 -6.7376 -6.7353 -5.8572 -5.8537 -5.4962 -5.4941 -0.7921 -0.7681 1.1063 1.1465 1.2270 1.2368 6.4296 6.4308 7.5344 7.5405 7.6514 7.6570 7.7726 7.7847 8.0503 8.1016 8.8799 8.9052 8.9253 8.9268 9.0133 9.0858 9.4365 9.4677 12.9566 12.9736 14.0289 14.0298 14.1673 14.1686 14.9747 14.9821 k = 0.0623 0.0625 0.5045 ( 2752 PWs) bands (ev): -45.9888 -45.9888 -22.7187 -22.7182 -22.0672 -22.0666 -22.0645 -22.0644 -14.3077 -14.3077 -6.7486 -6.7466 -5.8589 -5.8559 -5.4912 -5.4893 -0.7873 -0.7662 1.1129 1.1497 1.2336 1.2436 6.4341 6.4352 7.5434 7.5498 7.6469 7.6528 7.8328 7.8480 8.0678 8.1188 8.8407 8.8917 8.9511 8.9580 8.9828 9.0434 9.4303 9.4614 12.9448 12.9602 14.0265 14.0274 14.1653 14.1666 14.9261 14.9328 k = 0.0534 0.0536 0.5045 ( 2758 PWs) bands (ev): -45.9888 -45.9888 -22.7185 -22.7180 -22.0668 -22.0664 -22.0643 -22.0642 -14.3091 -14.3091 -6.7581 -6.7564 -5.8604 -5.8578 -5.4866 -5.4850 -0.7831 -0.7649 1.1184 1.1508 1.2406 1.2499 6.4381 6.4391 7.5519 7.5585 7.6417 7.6479 7.8910 7.9096 8.0848 8.1353 8.8029 8.8603 8.9186 8.9941 9.0047 9.0235 9.4203 9.4512 12.9359 12.9495 14.0246 14.0254 14.1639 14.1650 14.8828 14.8888 k = 0.0445 0.0446 0.5045 ( 2762 PWs) bands (ev): -45.9889 -45.9889 -22.7182 -22.7178 -22.0664 -22.0661 -22.0641 -22.0640 -14.3103 -14.3103 -6.7662 -6.7647 -5.8616 -5.8594 -5.4827 -5.4814 -0.7794 -0.7641 1.1230 1.1504 1.2474 1.2555 6.4416 6.4424 7.5601 7.5669 7.6359 7.6424 7.9459 7.9682 8.1007 8.1503 8.7688 8.8331 8.8746 8.9599 9.0431 9.0685 9.4068 9.4371 12.9295 12.9412 14.0230 14.0238 14.1628 14.1638 14.8453 14.8504 k = 0.0356 0.0357 0.5045 ( 2766 PWs) bands (ev): -45.9889 -45.9889 -22.7180 -22.7177 -22.0662 -22.0660 -22.0640 -22.0638 -14.3113 -14.3113 -6.7728 -6.7716 -5.8626 -5.8608 -5.4794 -5.4783 -0.7762 -0.7639 1.1270 1.1491 1.2536 1.2601 6.4445 6.4452 7.5679 7.5748 7.6300 7.6367 7.9964 8.0225 8.1147 8.1630 8.7394 8.8092 8.8342 8.9212 9.0862 9.1115 9.3902 9.4195 12.9252 12.9348 14.0217 14.0224 14.1621 14.1629 14.8140 14.8182 k = 0.0267 0.0268 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7178 -22.7175 -22.0659 -22.0658 -22.0637 -22.0636 -14.3120 -14.3120 -6.7779 -6.7770 -5.8633 -5.8620 -5.4768 -5.4760 -0.7734 -0.7641 1.1305 1.1472 1.2588 1.2637 6.4469 6.4474 7.5753 7.5820 7.6241 7.6307 8.0408 8.0707 8.1257 8.1722 8.7163 8.7811 8.8079 8.8855 9.1267 9.1511 9.3715 9.3990 12.9226 12.9299 14.0208 14.0214 14.1616 14.1623 14.7893 14.7925 k = 0.0178 0.0179 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7176 -22.7175 -22.0658 -22.0657 -22.0636 -22.0635 -14.3126 -14.3126 -6.7815 -6.7809 -5.8638 -5.8629 -5.4748 -5.4743 -0.7709 -0.7648 1.1337 1.1449 1.2629 1.2662 6.4486 6.4489 7.5822 7.5883 7.6187 7.6247 8.0776 8.1109 8.1322 8.1764 8.7015 8.7488 8.7985 8.8541 9.1633 9.1848 9.3530 9.3767 12.9214 12.9264 14.0202 14.0206 14.1614 14.1618 14.7715 14.7737 k = 0.0089 0.0089 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7174 -22.0657 -22.0656 -22.0635 -22.0635 -14.3129 -14.3129 -6.7836 -6.7833 -5.8639 -5.8635 -5.4736 -5.4733 -0.7689 -0.7658 1.1367 1.1423 1.2657 1.2673 6.4497 6.4498 7.5883 7.5925 7.6151 7.6193 8.1053 8.1311 8.1429 8.1740 8.6969 8.7216 8.7998 8.8285 9.1931 9.2074 9.3399 9.3551 12.9214 12.9238 14.0199 14.0201 14.1613 14.1615 14.7610 14.7621 k = 0.0000 0.0000 0.5045 ( 2762 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7175 -22.0656 -22.0656 -22.0635 -22.0635 -14.3130 -14.3130 -6.7842 -6.7842 -5.8639 -5.8639 -5.4731 -5.4731 -0.7671 -0.7671 1.1396 1.1396 1.2672 1.2672 6.4501 6.4501 7.5924 7.5924 7.6153 7.6153 8.1232 8.1232 8.1632 8.1632 8.7037 8.7037 8.8101 8.8101 9.2105 9.2105 9.3402 9.3402 12.9222 12.9222 14.0199 14.0199 14.1614 14.1614 14.7578 14.7578 k = 0.0000 0.0000 0.5045 ( 2762 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7175 -22.0656 -22.0656 -22.0635 -22.0635 -14.3130 -14.3130 -6.7842 -6.7842 -5.8639 -5.8639 -5.4731 -5.4731 -0.7671 -0.7671 1.1396 1.1396 1.2672 1.2672 6.4501 6.4501 7.5924 7.5924 7.6153 7.6153 8.1232 8.1232 8.1632 8.1632 8.7037 8.7037 8.8101 8.8101 9.2105 9.2105 9.3402 9.3402 12.9222 12.9222 14.0199 14.0199 14.1614 14.1614 14.7578 14.7578 k = 0.0000 0.0000 0.4919 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7174 -22.0656 -22.0656 -22.0635 -22.0634 -14.3132 -14.3132 -6.7837 -6.7835 -5.8639 -5.8639 -5.4740 -5.4737 -0.7678 -0.7671 1.1392 1.1393 1.2660 1.2673 6.4522 6.4528 7.5933 7.5934 7.6163 7.6164 8.1218 8.1269 8.1640 8.1646 8.7032 8.7050 8.8095 8.8105 9.2112 9.2127 9.3409 9.3413 12.9218 12.9221 14.0170 14.0179 14.1583 14.1594 14.7577 14.7586 k = 0.0000 0.0000 0.4793 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7174 -22.7172 -22.0655 -22.0654 -22.0634 -22.0632 -14.3138 -14.3138 -6.7821 -6.7818 -5.8641 -5.8641 -5.4765 -5.4758 -0.7690 -0.7677 1.1382 1.1383 1.2638 1.2665 6.4591 6.4602 7.5962 7.5963 7.6194 7.6196 8.1230 8.1331 8.1672 8.1682 8.7038 8.7073 8.8088 8.8107 9.2149 9.2180 9.3433 9.3441 12.9209 12.9215 14.0093 14.0109 14.1503 14.1525 14.7583 14.7599 k = 0.0000 0.0000 0.4666 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7173 -22.7171 -22.0654 -22.0653 -22.0634 -22.0630 -14.3148 -14.3148 -6.7795 -6.7789 -5.8644 -5.8643 -5.4804 -5.4794 -0.7709 -0.7690 1.1365 1.1366 1.2606 1.2646 6.4707 6.4724 7.6009 7.6011 7.6245 7.6249 8.1266 8.1414 8.1729 8.1740 8.7052 8.7105 8.8081 8.8109 9.2215 9.2262 9.3475 9.3487 12.9195 12.9205 13.9967 13.9992 14.1374 14.1406 14.7594 14.7618 k = 0.0000 0.0000 0.4540 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7172 -22.7169 -22.0653 -22.0651 -22.0632 -22.0627 -14.3162 -14.3161 -6.7757 -6.7750 -5.8647 -5.8647 -5.4858 -5.4844 -0.7733 -0.7708 1.1342 1.1343 1.2564 1.2617 6.4870 6.4892 7.6075 7.6078 7.6317 7.6323 8.1326 8.1515 8.1813 8.1820 8.7077 8.7146 8.8075 8.8110 9.2308 9.2373 9.3533 9.3550 12.9177 12.9189 13.9794 13.9827 14.1198 14.1239 14.7610 14.7642 k = 0.0000 0.0000 0.4414 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7170 -22.7166 -22.0652 -22.0649 -22.0629 -22.0623 -14.3179 -14.3179 -6.7709 -6.7700 -5.8652 -5.8652 -5.4926 -5.4908 -0.7763 -0.7732 1.1312 1.1314 1.2513 1.2578 6.5078 6.5106 7.6158 7.6161 7.6408 7.6417 8.1408 8.1630 8.1922 8.1927 8.7112 8.7198 8.8073 8.8114 9.2426 9.2511 9.3609 9.3630 12.9153 12.9170 13.9575 13.9615 14.0977 14.1026 14.7631 14.7669 k = 0.0000 0.0000 0.4288 ( 2756 PWs) bands (ev): -45.9889 -45.9889 -22.7168 -22.7164 -22.0651 -22.0649 -22.0625 -22.0617 -14.3200 -14.3199 -6.7651 -6.7640 -5.8658 -5.8658 -5.5007 -5.4986 -0.7799 -0.7762 1.1276 1.1278 1.2453 1.2530 6.5332 6.5365 7.6257 7.6262 7.6519 7.6531 8.1512 8.1756 8.2045 8.2073 8.7158 8.7259 8.8076 8.8122 9.2568 9.2675 9.3700 9.3727 12.9126 12.9145 13.9312 13.9360 14.0712 14.0769 14.7655 14.7698 k = 0.0000 0.0000 0.4162 ( 2758 PWs) bands (ev): -45.9890 -45.9890 -22.7166 -22.7161 -22.0651 -22.0648 -22.0620 -22.0611 -14.3225 -14.3224 -6.7583 -6.7571 -5.8665 -5.8665 -5.5100 -5.5076 -0.7840 -0.7798 1.1234 1.1237 1.2384 1.2472 6.5628 6.5668 7.6372 7.6379 7.6648 7.6666 8.1635 8.1891 8.2190 8.2250 8.7215 8.7331 8.8087 8.8136 9.2733 9.2863 9.3809 9.3841 12.9094 12.9117 13.9007 13.9061 14.0406 14.0469 14.7682 14.7729 k = 0.0000 0.0000 0.4036 ( 2766 PWs) bands (ev): -45.9890 -45.9890 -22.7163 -22.7157 -22.0651 -22.0648 -22.0613 -22.0603 -14.3252 -14.3251 -6.7507 -6.7493 -5.8673 -5.8673 -5.5205 -5.5179 -0.7887 -0.7839 1.1187 1.1190 1.2307 1.2406 6.5966 6.6012 7.6500 7.6510 7.6797 7.6818 8.1776 8.2036 8.2355 8.2454 8.7286 8.7413 8.8107 8.8158 9.2917 9.3073 9.3933 9.3972 12.9057 12.9084 13.8663 13.8722 14.0061 14.0130 14.7711 14.7761 k = 0.0000 0.0000 0.3910 ( 2758 PWs) bands (ev): -45.9890 -45.9890 -22.7160 -22.7153 -22.0651 -22.0648 -22.0604 -22.0594 -14.3283 -14.3282 -6.7422 -6.7406 -5.8682 -5.8682 -5.5321 -5.5291 -0.7938 -0.7886 1.1135 1.1138 1.2223 1.2330 6.6344 6.6396 7.6641 7.6655 7.6962 7.6989 8.1935 8.2192 8.2539 8.2682 8.7370 8.7507 8.8141 8.8191 9.3119 9.3304 9.4073 9.4120 12.9017 12.9047 13.8281 13.8346 13.9680 13.9753 14.7740 14.7793 k = 0.0000 0.0000 0.3784 ( 2758 PWs) bands (ev): -45.9891 -45.9891 -22.7156 -22.7149 -22.0651 -22.0648 -22.0595 -22.0584 -14.3317 -14.3316 -6.7329 -6.7312 -5.8692 -5.8691 -5.5446 -5.5414 -0.7994 -0.7938 1.1077 1.1081 1.2131 1.2247 6.6759 6.6818 7.6793 7.6812 7.7144 7.7176 8.2110 8.2361 8.2742 8.2929 8.7469 8.7612 8.8189 8.8238 9.3337 9.3554 9.4230 9.4285 12.8972 12.9007 13.7864 13.7934 13.9264 13.9341 14.7769 14.7824 k = 0.0000 0.0000 0.3658 ( 2758 PWs) bands (ev): -45.9891 -45.9891 -22.7152 -22.7144 -22.0651 -22.0649 -22.0584 -22.0573 -14.3353 -14.3352 -6.7230 -6.7211 -5.8702 -5.8702 -5.5580 -5.5544 -0.8054 -0.7994 1.1016 1.1019 1.2032 1.2156 6.7210 6.7276 7.6954 7.6980 7.7341 7.7377 8.2300 8.2541 8.2961 8.3190 8.7584 8.7727 8.8256 8.8301 9.3569 9.3819 9.4403 9.4468 12.8924 12.8963 13.7416 13.7491 13.8817 13.8896 14.7798 14.7854 k = 0.0000 0.0000 0.3531 ( 2757 PWs) bands (ev): -45.9891 -45.9891 -22.7147 -22.7139 -22.0651 -22.0649 -22.0573 -22.0561 -14.3392 -14.3391 -6.7125 -6.7104 -5.8713 -5.8713 -5.5720 -5.5682 -0.8118 -0.8055 1.0950 1.0954 1.1928 1.2059 6.7693 6.7767 7.7123 7.7157 7.7551 7.7592 8.2504 8.2734 8.3195 8.3462 8.7715 8.7853 8.8344 8.8384 9.3812 9.4097 9.4594 9.4667 12.8872 12.8916 13.6941 13.7018 13.8341 13.8422 14.7826 14.7882 k = 0.0000 0.0000 0.3405 ( 2761 PWs) bands (ev): -45.9892 -45.9892 -22.7143 -22.7134 -22.0652 -22.0650 -22.0561 -22.0549 -14.3433 -14.3432 -6.7015 -6.6993 -5.8725 -5.8725 -5.5866 -5.5826 -0.8186 -0.8120 1.0881 1.0885 1.1818 1.1955 6.8206 6.8288 7.7298 7.7342 7.7773 7.7818 8.2722 8.2940 8.3441 8.3740 8.7862 8.7989 8.8458 8.8491 9.4064 9.4382 9.4807 9.4884 12.8817 12.8866 13.6441 13.6521 13.7837 13.7920 14.7854 14.7909 k = 0.0000 0.0000 0.3279 ( 2757 PWs) bands (ev): -45.9892 -45.9892 -22.7138 -22.7128 -22.0652 -22.0650 -22.0548 -22.0536 -14.3476 -14.3475 -6.6901 -6.6878 -5.8737 -5.8737 -5.6015 -5.5974 -0.8257 -0.8189 1.0809 1.0813 1.1704 1.1846 6.8747 6.8837 7.7477 7.7533 7.8004 7.8053 8.2953 8.3157 8.3697 8.4020 8.8024 8.8132 8.8601 8.8623 9.4323 9.4665 9.5048 9.5119 12.8758 12.8813 13.5920 13.6001 13.7309 13.7393 14.7879 14.7934 k = 0.0000 0.0000 0.3153 ( 2757 PWs) bands (ev): -45.9892 -45.9892 -22.7132 -22.7123 -22.0653 -22.0651 -22.0534 -22.0522 -14.3521 -14.3519 -6.6784 -6.6760 -5.8750 -5.8750 -5.6168 -5.6124 -0.8331 -0.8261 1.0735 1.0738 1.1586 1.1731 6.9311 6.9411 7.7659 7.7728 7.8243 7.8294 8.3196 8.3387 8.3961 8.4299 8.8198 8.8284 8.8779 8.8785 9.4586 9.4940 9.5321 9.5373 12.8695 12.8757 13.5382 13.5464 13.6760 13.6845 14.7904 14.7958 k = 0.0000 0.0000 0.3027 ( 2765 PWs) bands (ev): -45.9893 -45.9893 -22.7128 -22.7118 -22.0654 -22.0653 -22.0520 -22.0508 -14.3567 -14.3565 -6.6666 -6.6640 -5.8764 -5.8763 -5.6322 -5.6276 -0.8407 -0.8336 1.0658 1.0661 1.1465 1.1613 6.9895 7.0006 7.7843 7.7925 7.8486 7.8540 8.3453 8.3628 8.4231 8.4574 8.8381 8.8442 8.8976 8.8996 9.4851 9.5202 9.5629 9.5644 12.8630 12.8698 13.4832 13.4914 13.6191 13.6277 14.7926 14.7979 k = 0.0000 0.0000 0.2901 ( 2769 PWs) bands (ev): -45.9893 -45.9893 -22.7122 -22.7112 -22.0655 -22.0654 -22.0506 -22.0493 -14.3614 -14.3612 -6.6547 -6.6520 -5.8777 -5.8777 -5.6475 -5.6428 -0.8486 -0.8413 1.0580 1.0583 1.1341 1.1491 7.0497 7.0620 7.8025 7.8123 7.8731 7.8787 8.3721 8.3880 8.4505 8.4844 8.8570 8.8609 8.9197 8.9255 9.5118 9.5455 9.5932 9.5965 12.8560 12.8637 13.4274 13.4354 13.5607 13.5693 14.7948 14.7999 k = 0.0000 0.0000 0.2775 ( 2769 PWs) bands (ev): -45.9894 -45.9894 -22.7117 -22.7106 -22.0656 -22.0655 -22.0491 -22.0478 -14.3662 -14.3660 -6.6429 -6.6401 -5.8791 -5.8791 -5.6627 -5.6579 -0.8565 -0.8492 1.0500 1.0504 1.1216 1.1367 7.1111 7.1247 7.8206 7.8320 7.8976 7.9033 8.4001 8.4144 8.4783 8.5107 8.8765 8.8785 8.9447 8.9556 9.5384 9.5704 9.6236 9.6321 12.8486 12.8573 13.3713 13.3790 13.5008 13.5095 14.7967 14.8017 k = 0.0000 0.0000 0.2649 ( 2777 PWs) bands (ev): -45.9894 -45.9894 -22.7111 -22.7101 -22.0657 -22.0656 -22.0476 -22.0463 -14.3710 -14.3709 -6.6313 -6.6284 -5.8805 -5.8805 -5.6775 -5.6726 -0.8646 -0.8573 1.0420 1.0424 1.1090 1.1241 7.1734 7.1885 7.8384 7.8514 7.9218 7.9276 8.4293 8.4418 8.5064 8.5365 8.8965 8.8969 8.9723 8.9894 9.5650 9.5953 9.6554 9.6690 12.8408 12.8506 13.3155 13.3226 13.4400 13.4486 14.7986 14.8034 k = 0.0000 0.0000 0.2522 ( 2773 PWs) bands (ev): -45.9895 -45.9895 -22.7105 -22.7095 -22.0657 -22.0656 -22.0461 -22.0448 -14.3759 -14.3757 -6.6199 -6.6169 -5.8819 -5.8819 -5.6919 -5.6870 -0.8728 -0.8655 1.0341 1.0344 1.0964 1.1113 7.2363 7.2530 7.8556 7.8705 7.9454 7.9512 8.4595 8.4703 8.5347 8.5619 8.9163 8.9170 9.0025 9.0266 9.5914 9.6203 9.6881 9.7067 12.8324 12.8435 13.2604 13.2668 13.3784 13.3871 14.8002 14.8049 k = 0.0000 0.0000 0.2396 ( 2769 PWs) bands (ev): -45.9895 -45.9895 -22.7099 -22.7089 -22.0658 -22.0657 -22.0445 -22.0432 -14.3807 -14.3806 -6.6089 -6.6059 -5.8833 -5.8833 -5.7057 -5.7007 -0.8809 -0.8737 1.0261 1.0264 1.0839 1.0986 7.2991 7.3177 7.8723 7.8891 7.9682 7.9740 8.4907 8.4997 8.5633 8.5870 8.9363 8.9381 9.0350 9.0666 9.6176 9.6454 9.7215 9.7448 12.8233 12.8360 13.2068 13.2121 13.3163 13.3251 14.8018 14.8062 k = 0.0000 0.0000 0.2270 ( 2769 PWs) bands (ev): -45.9895 -45.9895 -22.7094 -22.7083 -22.0659 -22.0658 -22.0430 -22.0417 -14.3855 -14.3854 -6.5984 -6.5954 -5.8847 -5.8847 -5.7188 -5.7138 -0.8890 -0.8819 1.0183 1.0185 1.0715 1.0859 7.3616 7.3822 7.8884 7.9072 7.9900 7.9958 8.5228 8.5301 8.5922 8.6121 8.9569 8.9596 9.0696 9.1090 9.6436 9.6706 9.7553 9.7829 12.8134 12.8281 13.1552 13.1592 13.2542 13.2630 14.8032 14.8074 k = 0.0000 0.0000 0.2144 ( 2765 PWs) bands (ev): -45.9896 -45.9896 -22.7088 -22.7078 -22.0660 -22.0659 -22.0414 -22.0402 -14.3903 -14.3901 -6.5885 -6.5855 -5.8861 -5.8860 -5.7311 -5.7262 -0.8970 -0.8901 1.0106 1.0108 1.0593 1.0734 7.4232 7.4461 7.9038 7.9248 8.0106 8.0163 8.5556 8.5612 8.6213 8.6372 8.9779 8.9813 9.1061 9.1533 9.6694 9.6958 9.7889 9.8205 12.8025 12.8194 13.1064 13.1088 13.1923 13.2014 14.8045 14.8085 k = 0.0000 0.0000 0.2018 ( 2761 PWs) bands (ev): -45.9896 -45.9896 -22.7082 -22.7072 -22.0660 -22.0659 -22.0399 -22.0387 -14.3949 -14.3947 -6.5793 -6.5763 -5.8875 -5.8874 -5.7425 -5.7377 -0.9049 -0.8982 1.0031 1.0032 1.0475 1.0611 7.4834 7.5089 7.9186 7.9419 8.0299 8.0355 8.5891 8.5931 8.6506 8.6625 8.9991 9.0031 9.1444 9.1989 9.6947 9.7209 9.8219 9.8571 12.7903 12.8099 13.0610 13.0616 13.1309 13.1405 14.8057 14.8094 k = 0.0000 0.0000 0.1892 ( 2761 PWs) bands (ev): -45.9897 -45.9897 -22.7077 -22.7067 -22.0661 -22.0660 -22.0384 -22.0372 -14.3994 -14.3992 -6.5708 -6.5678 -5.8888 -5.8887 -5.7529 -5.7482 -0.9126 -0.9062 0.9958 0.9959 1.0359 1.0490 7.5417 7.5700 7.9328 7.9586 8.0477 8.0532 8.6229 8.6255 8.6800 8.6879 9.0201 9.0247 9.1841 9.2457 9.7195 9.7457 9.8539 9.8923 12.7767 12.7993 13.0183 13.0195 13.0706 13.0810 14.8067 14.8103 k = 0.0000 0.0000 0.1766 ( 2765 PWs) bands (ev): -45.9897 -45.9897 -22.7072 -22.7062 -22.0662 -22.0661 -22.0370 -22.0359 -14.4037 -14.4036 -6.5630 -6.5601 -5.8900 -5.8900 -5.7624 -5.7578 -0.9201 -0.9139 0.9887 0.9889 1.0249 1.0374 7.5976 7.6288 7.9465 7.9751 8.0640 8.0693 8.6570 8.6583 8.7094 8.7136 9.0408 9.0459 9.2251 9.2931 9.7437 9.7701 9.8842 9.9253 12.7617 12.7873 12.9796 12.9813 13.0116 13.0243 14.8077 14.8110 k = 0.0000 0.0000 0.1640 ( 2765 PWs) bands (ev): -45.9897 -45.9897 -22.7067 -22.7058 -22.0662 -22.0662 -22.0356 -22.0345 -14.4079 -14.4078 -6.5560 -6.5532 -5.8913 -5.8912 -5.7708 -5.7665 -0.9272 -0.9214 0.9820 0.9821 1.0143 1.0261 7.6504 7.6848 7.9601 7.9914 8.0788 8.0840 8.6910 8.6912 8.7386 8.7392 9.0609 9.0665 9.2673 9.3410 9.7671 9.7940 9.9124 9.9557 12.7456 12.7740 12.9429 12.9454 12.9551 12.9747 14.8086 14.8117 k = 0.0000 0.0000 0.1513 ( 2761 PWs) bands (ev): -45.9898 -45.9898 -22.7062 -22.7053 -22.0663 -22.0662 -22.0343 -22.0332 -14.4119 -14.4118 -6.5499 -6.5472 -5.8924 -5.8924 -5.7783 -5.7741 -0.9341 -0.9285 0.9757 0.9757 1.0042 1.0154 7.6995 7.7371 7.9738 8.0079 8.0921 8.0972 8.7240 8.7248 8.7648 8.7673 9.0802 9.0862 9.3104 9.3892 9.7895 9.8173 9.9378 9.9829 12.7288 12.7594 12.8970 12.8981 12.9194 12.9397 14.8094 14.8122 k = 0.0000 0.0000 0.1387 ( 2757 PWs) bands (ev): -45.9898 -45.9898 -22.7057 -22.7049 -22.0663 -22.0663 -22.0330 -22.0320 -14.4156 -14.4155 -6.5445 -6.5419 -5.8935 -5.8935 -5.7847 -5.7808 -0.9405 -0.9354 0.9697 0.9697 0.9948 1.0052 7.7444 7.7848 7.9883 8.0247 8.1039 8.1090 8.7564 8.7579 8.7899 8.7952 9.0984 9.1048 9.3543 9.4374 9.8106 9.8396 9.9600 10.0061 12.7124 12.7442 12.8456 12.8471 12.8965 12.9156 14.8101 14.8127 k = 0.0000 0.0000 0.1261 ( 2745 PWs) bands (ev): -45.9898 -45.9898 -22.7052 -22.7045 -22.0664 -22.0663 -22.0317 -22.0308 -14.4191 -14.4190 -6.5399 -6.5375 -5.8945 -5.8945 -5.7902 -5.7865 -0.9466 -0.9418 0.9641 0.9642 0.9861 0.9956 7.7846 7.8269 8.0042 8.0420 8.1144 8.1195 8.7880 8.7901 8.8145 8.8220 9.1153 9.1219 9.3989 9.4855 9.8302 9.8610 9.9783 10.0249 12.6972 12.7293 12.7959 12.7982 12.8784 12.8972 14.8107 14.8131 k = 0.0000 0.0000 0.1135 ( 2745 PWs) bands (ev): -45.9899 -45.9899 -22.7048 -22.7041 -22.0664 -22.0664 -22.0306 -22.0298 -14.4223 -14.4222 -6.5359 -6.5337 -5.8955 -5.8954 -5.7947 -5.7914 -0.9521 -0.9478 0.9590 0.9590 0.9780 0.9867 7.8197 7.8623 8.0223 8.0599 8.1235 8.1287 8.8186 8.8210 8.8381 8.8474 9.1308 9.1376 9.4438 9.5334 9.8480 9.8812 9.9926 10.0388 12.6841 12.7150 12.7503 12.7521 12.8639 12.8824 14.8113 14.8134 k = 0.0000 0.0000 0.1009 ( 2749 PWs) bands (ev): -45.9899 -45.9899 -22.7044 -22.7038 -22.0665 -22.0664 -22.0296 -22.0289 -14.4253 -14.4252 -6.5327 -6.5307 -5.8964 -5.8963 -5.7985 -5.7955 -0.9572 -0.9533 0.9543 0.9544 0.9707 0.9785 7.8495 7.8903 8.0429 8.0780 8.1314 8.1369 8.8477 8.8501 8.8606 8.8712 9.1446 9.1515 9.4891 9.5808 9.8636 9.9001 10.0025 10.0474 12.6732 12.6965 12.7102 12.7148 12.8521 12.8701 14.8118 14.8137 k = 0.0000 0.0000 0.0883 ( 2749 PWs) bands (ev): -45.9899 -45.9899 -22.7041 -22.7036 -22.0665 -22.0665 -22.0287 -22.0280 -14.4279 -14.4278 -6.5300 -6.5282 -5.8971 -5.8971 -5.8015 -5.7988 -0.9617 -0.9583 0.9502 0.9503 0.9642 0.9711 7.8744 7.9113 8.0654 8.0960 8.1381 8.1441 8.8746 8.8768 8.8818 8.8933 9.1568 9.1635 9.5343 9.6277 9.8763 9.9175 10.0082 10.0503 12.6594 12.6630 12.6782 12.7010 12.8423 12.8595 14.8122 14.8139 k = 0.0000 0.0000 0.0757 ( 2755 PWs) bands (ev): -45.9899 -45.9899 -22.7038 -22.7034 -22.0666 -22.0666 -22.0279 -22.0274 -14.4302 -14.4301 -6.5279 -6.5263 -5.8978 -5.8978 -5.8039 -5.8016 -0.9657 -0.9627 0.9466 0.9467 0.9586 0.9645 7.8945 7.9264 8.0884 8.1129 8.1438 8.1506 8.8975 8.9002 8.9029 8.9137 9.1672 9.1736 9.5791 9.6739 9.8856 9.9333 10.0101 10.0475 12.6292 12.6307 12.6687 12.6946 12.8341 12.8504 14.8126 14.8140 k = 0.0000 0.0000 0.0631 ( 2757 PWs) bands (ev): -45.9900 -45.9900 -22.7036 -22.7032 -22.0666 -22.0666 -22.0272 -22.0268 -14.4322 -14.4321 -6.5262 -6.5249 -5.8984 -5.8984 -5.8057 -5.8037 -0.9691 -0.9665 0.9435 0.9436 0.9538 0.9588 7.9107 7.9368 8.1105 8.1278 8.1485 8.1567 8.9154 8.9196 8.9243 8.9326 9.1759 9.1817 9.6234 9.7191 9.8903 9.9473 10.0088 10.0390 12.5995 12.6014 12.6673 12.6913 12.8272 12.8422 14.8130 14.8133 k = 0.0000 0.0000 0.0504 ( 2761 PWs) bands (ev): -45.9900 -45.9900 -22.7034 -22.7030 -22.0666 -22.0666 -22.0267 -22.0263 -14.4338 -14.4338 -6.5249 -6.5238 -5.8989 -5.8988 -5.8070 -5.8054 -0.9718 -0.9698 0.9411 0.9411 0.9499 0.9539 7.9234 7.9439 8.1302 8.1396 8.1524 8.1628 8.9299 8.9347 8.9435 8.9497 9.1828 9.1879 9.6665 9.7631 9.8894 9.9594 10.0057 10.0251 12.5747 12.5764 12.6691 12.6899 12.8217 12.8349 14.7732 14.7764 k = 0.0000 0.0000 0.0378 ( 2769 PWs) bands (ev): -45.9900 -45.9900 -22.7032 -22.7030 -22.0667 -22.0667 -22.0262 -22.0259 -14.4351 -14.4351 -6.5239 -6.5231 -5.8992 -5.8992 -5.8079 -5.8067 -0.9739 -0.9724 0.9391 0.9392 0.9469 0.9500 7.9332 7.9482 8.1460 8.1476 8.1560 8.1689 8.9416 8.9459 8.9593 8.9639 9.1882 9.1923 9.7079 9.8054 9.8818 9.9696 10.0019 10.0059 12.5551 12.5565 12.6727 12.6895 12.8176 12.8285 14.7398 14.7422 k = 0.0000 0.0000 0.0252 ( 2771 PWs) bands (ev): -45.9900 -45.9900 -22.7031 -22.7029 -22.0667 -22.0667 -22.0259 -22.0257 -14.4360 -14.4360 -6.5232 -6.5226 -5.8995 -5.8995 -5.8084 -5.8077 -0.9753 -0.9743 0.9378 0.9378 0.9449 0.9469 7.9406 7.9504 8.1525 8.1542 8.1627 8.1739 8.9503 8.9535 8.9712 8.9743 9.1922 9.1951 9.7472 9.8442 9.8686 9.9767 9.9832 9.9982 12.5410 12.5419 12.6771 12.6890 12.8151 12.8229 14.7153 14.7169 k = 0.0000 0.0000 0.0126 ( 2773 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7029 -22.0667 -22.0667 -22.0256 -22.0256 -14.4366 -14.4365 -6.5227 -6.5225 -5.8997 -5.8997 -5.8087 -5.8083 -0.9761 -0.9756 0.9370 0.9370 0.9439 0.9449 7.9458 7.9507 8.1552 8.1562 8.1706 8.1763 8.9560 8.9576 8.9789 8.9805 9.1948 9.1963 9.7835 9.8428 9.8865 9.9531 9.9852 9.9945 12.5326 12.5330 12.6816 12.6878 12.8144 12.8185 14.7004 14.7013 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7030 -22.0668 -22.0668 -22.0256 -22.0256 -14.4367 -14.4367 -6.5225 -6.5225 -5.8997 -5.8997 -5.8086 -5.8086 -0.9762 -0.9762 0.9367 0.9367 0.9439 0.9439 7.9491 7.9491 8.1563 8.1563 8.1753 8.1753 8.9584 8.9584 8.9820 8.9820 9.1962 9.1962 9.8158 9.8158 9.9212 9.9212 9.9903 9.9903 12.5299 12.5299 12.6853 12.6853 12.8156 12.8156 14.6957 14.6957 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7030 -22.0668 -22.0668 -22.0256 -22.0256 -14.4367 -14.4367 -6.5225 -6.5225 -5.8997 -5.8997 -5.8086 -5.8086 -0.9762 -0.9762 0.9367 0.9367 0.9439 0.9439 7.9491 7.9491 8.1563 8.1563 8.1753 8.1753 8.9584 8.9584 8.9820 8.9820 9.1962 9.1962 9.8158 9.8158 9.9212 9.9212 9.9903 9.9903 12.5299 12.5299 12.6853 12.6853 12.8156 12.8156 14.6957 14.6957 k =-0.0089 0.0089 0.0000 ( 2771 PWs) bands (ev): -45.9900 -45.9900 -22.7029 -22.7029 -22.0668 -22.0668 -22.0255 -22.0255 -14.4366 -14.4366 -6.5225 -6.5225 -5.8997 -5.8997 -5.8086 -5.8086 -0.9758 -0.9758 0.9372 0.9372 0.9442 0.9442 7.9481 7.9481 8.1547 8.1547 8.1744 8.1744 8.9554 8.9554 8.9803 8.9803 9.1962 9.1962 9.8142 9.8142 9.9192 9.9192 9.9890 9.9890 12.5318 12.5318 12.6865 12.6865 12.8173 12.8173 14.6970 14.6970 k =-0.0179 0.0178 0.0000 ( 2771 PWs) bands (ev): -45.9900 -45.9900 -22.7030 -22.7030 -22.0669 -22.0669 -22.0256 -22.0256 -14.4360 -14.4360 -6.5224 -6.5224 -5.8996 -5.8996 -5.8086 -5.8086 -0.9748 -0.9748 0.9384 0.9384 0.9454 0.9454 7.9450 7.9450 8.1498 8.1498 8.1718 8.1718 8.9462 8.9462 8.9753 8.9753 9.1963 9.1963 9.8095 9.8095 9.9133 9.9133 9.9852 9.9852 12.5373 12.5373 12.6901 12.6901 12.8224 12.8224 14.7007 14.7007 k =-0.0268 0.0267 0.0000 ( 2771 PWs) bands (ev): -45.9900 -45.9900 -22.7031 -22.7031 -22.0671 -22.0671 -22.0256 -22.0256 -14.4352 -14.4352 -6.5223 -6.5223 -5.8994 -5.8994 -5.8086 -5.8086 -0.9730 -0.9730 0.9400 0.9400 0.9478 0.9478 7.9396 7.9396 8.1413 8.1413 8.1679 8.1679 8.9310 8.9310 8.9670 8.9670 9.1965 9.1965 9.8012 9.8012 9.9037 9.9037 9.9790 9.9790 12.5465 12.5465 12.6961 12.6961 12.8309 12.8309 14.7068 14.7068 k =-0.0357 0.0356 0.0000 ( 2765 PWs) bands (ev): -45.9900 -45.9900 -22.7033 -22.7033 -22.0673 -22.0673 -22.0257 -22.0257 -14.4339 -14.4339 -6.5221 -6.5221 -5.8992 -5.8992 -5.8086 -5.8086 -0.9706 -0.9706 0.9415 0.9415 0.9518 0.9518 7.9319 7.9319 8.1294 8.1294 8.1628 8.1628 8.9100 8.9100 8.9555 8.9555 9.1967 9.1967 9.7892 9.7892 9.8907 9.8907 9.9706 9.9706 12.5592 12.5592 12.7044 12.7044 12.8426 12.8426 14.7152 14.7152 k =-0.0446 0.0445 0.0000 ( 2769 PWs) bands (ev): -45.9900 -45.9900 -22.7035 -22.7035 -22.0677 -22.0677 -22.0258 -22.0258 -14.4324 -14.4324 -6.5219 -6.5219 -5.8990 -5.8990 -5.8085 -5.8085 -0.9676 -0.9676 0.9430 0.9430 0.9573 0.9573 7.9215 7.9215 8.1142 8.1142 8.1566 8.1566 8.8835 8.8835 8.9411 8.9411 9.1971 9.1971 9.7729 9.7729 9.8750 9.8750 9.9604 9.9604 12.5754 12.5754 12.7151 12.7151 12.8575 12.8575 14.7259 14.7259 k =-0.0536 0.0534 0.0000 ( 2769 PWs) bands (ev): -45.9900 -45.9900 -22.7038 -22.7038 -22.0682 -22.0682 -22.0259 -22.0259 -14.4305 -14.4305 -6.5217 -6.5217 -5.8986 -5.8986 -5.8084 -5.8084 -0.9639 -0.9639 0.9445 0.9445 0.9642 0.9642 7.9081 7.9081 8.0961 8.0961 8.1494 8.1494 8.8520 8.8520 8.9238 8.9238 9.1978 9.1978 9.7517 9.7517 9.8575 9.8575 9.9485 9.9485 12.5949 12.5949 12.7280 12.7280 12.8754 12.8754 14.7387 14.7387 k =-0.0625 0.0623 0.0000 ( 2773 PWs) bands (ev): -45.9899 -45.9899 -22.7041 -22.7041 -22.0687 -22.0687 -22.0260 -22.0260 -14.4283 -14.4283 -6.5214 -6.5214 -5.8982 -5.8982 -5.8082 -5.8082 -0.9598 -0.9598 0.9462 0.9462 0.9723 0.9723 7.8914 7.8914 8.0758 8.0759 8.1411 8.1411 8.8158 8.8158 8.9038 8.9038 9.1987 9.1987 9.7251 9.7251 9.8388 9.8388 9.9351 9.9351 12.6175 12.6175 12.7431 12.7431 12.8962 12.8962 14.7534 14.7534 k =-0.0714 0.0712 0.0000 ( 2777 PWs) bands (ev): -45.9899 -45.9899 -22.7045 -22.7045 -22.0693 -22.0693 -22.0262 -22.0262 -14.4257 -14.4257 -6.5211 -6.5211 -5.8978 -5.8978 -5.8079 -5.8079 -0.9551 -0.9551 0.9480 0.9480 0.9815 0.9815 7.8708 7.8708 8.0538 8.0538 8.1317 8.1317 8.7755 8.7755 8.8812 8.8812 9.1999 9.1999 9.6931 9.6931 9.8194 9.8194 9.9206 9.9206 12.6430 12.6430 12.7605 12.7605 12.9196 12.9196 14.7699 14.7699 k =-0.0804 0.0801 0.0000 ( 2781 PWs) bands (ev): -45.9899 -45.9899 -22.7049 -22.7049 -22.0700 -22.0700 -22.0263 -22.0263 -14.4229 -14.4229 -6.5207 -6.5207 -5.8973 -5.8973 -5.8074 -5.8074 -0.9499 -0.9499 0.9499 0.9499 0.9916 0.9916 7.8461 7.8461 8.0306 8.0306 8.1214 8.1214 8.7315 8.7315 8.8562 8.8562 9.2016 9.2016 9.6559 9.6559 9.7996 9.7996 9.9052 9.9052 12.6713 12.6713 12.7799 12.7799 12.9455 12.9455 14.7880 14.7880 k =-0.0893 0.0890 0.0000 ( 2773 PWs) bands (ev): -45.9899 -45.9899 -22.7053 -22.7053 -22.0707 -22.0707 -22.0265 -22.0265 -14.4197 -14.4197 -6.5202 -6.5202 -5.8967 -5.8967 -5.8067 -5.8067 -0.9444 -0.9444 0.9521 0.9521 1.0026 1.0026 7.8170 7.8170 8.0066 8.0066 8.1102 8.1102 8.6843 8.6843 8.8290 8.8290 9.2037 9.2037 9.6142 9.6142 9.7793 9.7793 9.8891 9.8891 12.7022 12.7022 12.8014 12.8014 12.9737 12.9737 14.8075 14.8075 k =-0.0982 0.0979 0.0000 ( 2771 PWs) bands (ev): -45.9898 -45.9898 -22.7058 -22.7058 -22.0715 -22.0715 -22.0267 -22.0267 -14.4163 -14.4163 -6.5197 -6.5197 -5.8961 -5.8961 -5.8058 -5.8058 -0.9385 -0.9385 0.9544 0.9544 1.0143 1.0143 7.7834 7.7834 7.9819 7.9820 8.0981 8.0982 8.6342 8.6342 8.7998 8.7998 9.2063 9.2063 9.5685 9.5685 9.7585 9.7585 9.8725 9.8725 12.7354 12.7354 12.8248 12.8248 13.0040 13.0040 14.8283 14.8283 k =-0.1071 0.1068 0.0000 ( 2755 PWs) bands (ev): -45.9898 -45.9898 -22.7062 -22.7062 -22.0723 -22.0723 -22.0268 -22.0268 -14.4127 -14.4127 -6.5191 -6.5191 -5.8954 -5.8954 -5.8046 -5.8046 -0.9324 -0.9324 0.9569 0.9569 1.0266 1.0266 7.7457 7.7457 7.9566 7.9566 8.0855 8.0855 8.5815 8.5815 8.7688 8.7688 9.2096 9.2096 9.5198 9.5198 9.7371 9.7371 9.8557 9.8557 12.7706 12.7706 12.8501 12.8501 13.0362 13.0362 14.8502 14.8502 k =-0.1161 0.1157 0.0000 ( 2759 PWs) bands (ev): -45.9898 -45.9898 -22.7068 -22.7068 -22.0732 -22.0732 -22.0270 -22.0270 -14.4087 -14.4087 -6.5183 -6.5183 -5.8946 -5.8946 -5.8032 -5.8032 -0.9261 -0.9261 0.9596 0.9596 1.0393 1.0393 7.7042 7.7042 7.9304 7.9304 8.0722 8.0722 8.5265 8.5265 8.7361 8.7361 9.2135 9.2135 9.4686 9.4686 9.7150 9.7150 9.8389 9.8389 12.8078 12.8078 12.8772 12.8772 13.0701 13.0701 14.8729 14.8729 k =-0.1250 0.1246 0.0000 ( 2755 PWs) bands (ev): -45.9897 -45.9897 -22.7073 -22.7073 -22.0742 -22.0742 -22.0273 -22.0273 -14.4046 -14.4046 -6.5175 -6.5175 -5.8938 -5.8938 -5.8015 -5.8015 -0.9196 -0.9196 0.9624 0.9624 1.0522 1.0522 7.6595 7.6595 7.9032 7.9032 8.0584 8.0584 8.4696 8.4696 8.7020 8.7020 9.2181 9.2181 9.4159 9.4159 9.6920 9.6920 9.8225 9.8225 12.8465 12.8465 12.9061 12.9061 13.1056 13.1056 14.8964 14.8964 k =-0.1339 0.1335 0.0000 ( 2757 PWs) bands (ev): -45.9897 -45.9897 -22.7080 -22.7080 -22.0752 -22.0752 -22.0275 -22.0275 -14.4002 -14.4002 -6.5164 -6.5164 -5.8930 -5.8930 -5.7995 -5.7995 -0.9130 -0.9130 0.9654 0.9654 1.0652 1.0652 7.6120 7.6120 7.8745 7.8745 8.0442 8.0442 8.4108 8.4108 8.6667 8.6667 9.2235 9.2235 9.3623 9.3623 9.6682 9.6682 9.8066 9.8066 12.8866 12.8866 12.9366 12.9366 13.1424 13.1424 14.9205 14.9205 k =-0.1429 0.1424 0.0000 ( 2759 PWs) bands (ev): -45.9896 -45.9896 -22.7087 -22.7087 -22.0763 -22.0763 -22.0278 -22.0278 -14.3957 -14.3957 -6.5152 -6.5152 -5.8921 -5.8921 -5.7972 -5.7972 -0.9065 -0.9065 0.9685 0.9685 1.0782 1.0782 7.5624 7.5624 7.8444 7.8444 8.0297 8.0297 8.3504 8.3504 8.6303 8.6303 9.2295 9.2295 9.3086 9.3086 9.6436 9.6436 9.7916 9.7916 12.9279 12.9279 12.9687 12.9687 13.1805 13.1805 14.9449 14.9449 k =-0.1518 0.1513 0.0000 ( 2759 PWs) bands (ev): -45.9896 -45.9896 -22.7093 -22.7093 -22.0774 -22.0774 -22.0281 -22.0281 -14.3909 -14.3909 -6.5137 -6.5137 -5.8911 -5.8911 -5.7947 -5.7947 -0.9000 -0.9000 0.9717 0.9717 1.0910 1.0910 7.5112 7.5112 7.8126 7.8126 8.0149 8.0149 8.2885 8.2885 8.5931 8.5931 9.2358 9.2358 9.2561 9.2561 9.6180 9.6180 9.7777 9.7777 12.9700 12.9700 13.0023 13.0024 13.2198 13.2198 14.9697 14.9697 k =-0.1607 0.1602 0.0000 ( 2759 PWs) bands (ev): -45.9896 -45.9896 -22.7101 -22.7101 -22.0786 -22.0786 -22.0283 -22.0283 -14.3860 -14.3860 -6.5120 -6.5120 -5.8901 -5.8901 -5.7918 -5.7918 -0.8935 -0.8935 0.9750 0.9750 1.1035 1.1035 7.4587 7.4587 7.7791 7.7791 7.9996 7.9996 8.2254 8.2254 8.5552 8.5552 9.2028 9.2028 9.2447 9.2447 9.5915 9.5915 9.7651 9.7651 13.0125 13.0125 13.0377 13.0377 13.2600 13.2600 14.9946 14.9946 k =-0.1696 0.1691 0.0000 ( 2753 PWs) bands (ev): -45.9895 -45.9895 -22.7108 -22.7108 -22.0798 -22.0798 -22.0286 -22.0286 -14.3810 -14.3810 -6.5099 -6.5099 -5.8891 -5.8891 -5.7886 -5.7886 -0.8873 -0.8873 0.9783 0.9783 1.1154 1.1154 7.4055 7.4055 7.7439 7.7439 7.9837 7.9837 8.1612 8.1612 8.5167 8.5167 9.1529 9.1529 9.2528 9.2528 9.5642 9.5642 9.7541 9.7541 13.0549 13.0549 13.0749 13.0749 13.3011 13.3011 15.0195 15.0195 k =-0.1786 0.1780 0.0000 ( 2744 PWs) bands (ev): -45.9895 -45.9895 -22.7115 -22.7115 -22.0810 -22.0810 -22.0289 -22.0289 -14.3759 -14.3759 -6.5075 -6.5075 -5.8879 -5.8879 -5.7853 -5.7853 -0.8812 -0.8812 0.9817 0.9817 1.1267 1.1267 7.3519 7.3519 7.7070 7.7070 7.9664 7.9664 8.0970 8.0970 8.4779 8.4779 9.1053 9.1053 9.2617 9.2617 9.5359 9.5359 9.7447 9.7447 13.0966 13.0966 13.1144 13.1144 13.3429 13.3429 15.0442 15.0442 k =-0.1875 0.1869 0.0000 ( 2736 PWs) bands (ev): -45.9894 -45.9894 -22.7122 -22.7122 -22.0823 -22.0823 -22.0291 -22.0291 -14.3706 -14.3706 -6.5047 -6.5047 -5.8868 -5.8868 -5.7816 -5.7816 -0.8754 -0.8754 0.9851 0.9851 1.1372 1.1372 7.2983 7.2983 7.6687 7.6687 7.9456 7.9456 8.0348 8.0348 8.4388 8.4388 9.0607 9.0607 9.2713 9.2713 9.5069 9.5069 9.7372 9.7372 13.1373 13.1373 13.1561 13.1561 13.3854 13.3854 15.0688 15.0688 k =-0.1964 0.1958 0.0000 ( 2732 PWs) bands (ev): -45.9893 -45.9893 -22.7130 -22.7130 -22.0836 -22.0836 -22.0294 -22.0294 -14.3653 -14.3653 -6.5014 -6.5014 -5.8856 -5.8856 -5.7779 -5.7779 -0.8698 -0.8698 0.9885 0.9885 1.1468 1.1468 7.2449 7.2449 7.6289 7.6289 7.9137 7.9137 7.9824 7.9824 8.3996 8.3996 9.0196 9.0196 9.2814 9.2814 9.4772 9.4772 9.7316 9.7316 13.1773 13.1773 13.1994 13.1994 13.4284 13.4284 15.0930 15.0930 k =-0.2054 0.2047 0.0000 ( 2732 PWs) bands (ev): -45.9893 -45.9893 -22.7138 -22.7138 -22.0849 -22.0849 -22.0297 -22.0297 -14.3599 -14.3599 -6.4976 -6.4976 -5.8844 -5.8844 -5.7740 -5.7740 -0.8646 -0.8646 0.9919 0.9919 1.1555 1.1555 7.1919 7.1919 7.5879 7.5879 7.8612 7.8612 7.9493 7.9493 8.3605 8.3605 8.9825 8.9825 9.2918 9.2918 9.4470 9.4470 9.7280 9.7280 13.2172 13.2172 13.2435 13.2435 13.4719 13.4719 15.1168 15.1168 k =-0.2143 0.2136 0.0000 ( 2742 PWs) bands (ev): -45.9892 -45.9892 -22.7147 -22.7147 -22.0863 -22.0863 -22.0301 -22.0301 -14.3545 -14.3545 -6.4933 -6.4933 -5.8831 -5.8831 -5.7700 -5.7700 -0.8597 -0.8597 0.9951 0.9951 1.1631 1.1631 7.1396 7.1396 7.5459 7.5459 7.7959 7.7959 7.9279 7.9279 8.3216 8.3216 8.9497 8.9497 9.3024 9.3024 9.4163 9.4163 9.7264 9.7264 13.2572 13.2572 13.2878 13.2878 13.5158 13.5158 15.1401 15.1401 k =-0.2232 0.2225 0.0000 ( 2738 PWs) bands (ev): -45.9892 -45.9892 -22.7156 -22.7156 -22.0877 -22.0877 -22.0304 -22.0304 -14.3491 -14.3491 -6.4884 -6.4884 -5.8818 -5.8818 -5.7660 -5.7660 -0.8553 -0.8553 0.9982 0.9982 1.1697 1.1697 7.0881 7.0881 7.5029 7.5029 7.7259 7.7259 7.9104 7.9104 8.2829 8.2829 8.9216 8.9216 9.3127 9.3127 9.3857 9.3857 9.7269 9.7269 13.2975 13.2975 13.3320 13.3320 13.5599 13.5599 15.1628 15.1628 k =-0.2321 0.2314 0.0000 ( 2742 PWs) bands (ev): -45.9891 -45.9891 -22.7164 -22.7164 -22.0891 -22.0891 -22.0307 -22.0307 -14.3437 -14.3437 -6.4829 -6.4829 -5.8805 -5.8805 -5.7620 -5.7620 -0.8512 -0.8512 1.0010 1.0010 1.1752 1.1752 7.0376 7.0376 7.4593 7.4593 7.6538 7.6538 7.8943 7.8943 8.2446 8.2446 8.8982 8.8982 9.3208 9.3208 9.3572 9.3572 9.7294 9.7294 13.3380 13.3380 13.3759 13.3759 13.6042 13.6042 15.1848 15.1848 k =-0.2411 0.2403 0.0000 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7173 -22.7173 -22.0905 -22.0905 -22.0311 -22.0311 -14.3383 -14.3383 -6.4766 -6.4766 -5.8792 -5.8792 -5.7581 -5.7581 -0.8475 -0.8475 1.0036 1.0036 1.1796 1.1796 6.9882 6.9882 7.4151 7.4151 7.5807 7.5807 7.8788 7.8788 8.2068 8.2068 8.8799 8.8799 9.3123 9.3123 9.3451 9.3451 9.7340 9.7340 13.3786 13.3786 13.4194 13.4194 13.6486 13.6486 15.2062 15.2062 k =-0.2500 0.2492 0.0000 ( 2746 PWs) bands (ev): -45.9890 -45.9890 -22.7182 -22.7182 -22.0919 -22.0919 -22.0314 -22.0314 -14.3329 -14.3329 -6.4697 -6.4697 -5.8778 -5.8778 -5.7544 -5.7544 -0.8443 -0.8443 1.0058 1.0058 1.1831 1.1831 6.9399 6.9399 7.3706 7.3706 7.5071 7.5071 7.8637 7.8637 8.1695 8.1695 8.8666 8.8666 9.2843 9.2843 9.3524 9.3524 9.7405 9.7405 13.4192 13.4192 13.4622 13.4622 13.6929 13.6929 15.2267 15.2267 k =-0.2589 0.2582 0.0000 ( 2742 PWs) bands (ev): -45.9890 -45.9890 -22.7190 -22.7190 -22.0932 -22.0932 -22.0317 -22.0317 -14.3276 -14.3276 -6.4621 -6.4621 -5.8764 -5.8764 -5.7510 -5.7510 -0.8415 -0.8415 1.0075 1.0075 1.1857 1.1857 6.8928 6.8928 7.3260 7.3260 7.4334 7.4334 7.8489 7.8489 8.1330 8.1330 8.8584 8.8584 9.2531 9.2531 9.3627 9.3627 9.7490 9.7490 13.4597 13.4597 13.5043 13.5043 13.7371 13.7371 15.2465 15.2465 k =-0.2679 0.2671 0.0000 ( 2732 PWs) bands (ev): -45.9889 -45.9889 -22.7198 -22.7198 -22.0945 -22.0945 -22.0320 -22.0320 -14.3224 -14.3224 -6.4536 -6.4536 -5.8750 -5.8750 -5.7478 -5.7478 -0.8392 -0.8392 1.0087 1.0087 1.1874 1.1874 6.8469 6.8469 7.2812 7.2812 7.3601 7.3601 7.8343 7.8343 8.0972 8.0972 8.8552 8.8552 9.2215 9.2215 9.3734 9.3734 9.7592 9.7592 13.5000 13.5000 13.5455 13.5455 13.7810 13.7810 15.2654 15.2654 k =-0.2768 0.2760 0.0000 ( 2732 PWs) bands (ev): -45.9889 -45.9889 -22.7206 -22.7206 -22.0959 -22.0959 -22.0323 -22.0323 -14.3173 -14.3173 -6.4444 -6.4444 -5.8736 -5.8736 -5.7450 -5.7450 -0.8373 -0.8373 1.0093 1.0093 1.1886 1.1886 6.8023 6.8023 7.2361 7.2361 7.2878 7.2878 7.8198 7.8198 8.0622 8.0622 8.8570 8.8570 9.1898 9.1898 9.3841 9.3841 9.7711 9.7711 13.5400 13.5400 13.5859 13.5859 13.8245 13.8245 15.2833 15.2833 k =-0.2857 0.2849 0.0000 ( 2740 PWs) bands (ev): -45.9888 -45.9888 -22.7215 -22.7215 -22.0973 -22.0973 -22.0326 -22.0326 -14.3122 -14.3122 -6.4345 -6.4345 -5.8722 -5.8722 -5.7427 -5.7427 -0.8359 -0.8359 1.0091 1.0091 1.1892 1.1892 6.7589 6.7589 7.1895 7.1895 7.2183 7.2183 7.8056 7.8056 8.0281 8.0281 8.8635 8.8635 9.1585 9.1585 9.3947 9.3947 9.7845 9.7845 13.5795 13.5795 13.6252 13.6252 13.8676 13.8676 15.3004 15.3004 k =-0.2946 0.2938 0.0000 ( 2742 PWs) bands (ev): -45.9888 -45.9888 -22.7224 -22.7224 -22.0987 -22.0987 -22.0329 -22.0329 -14.3073 -14.3073 -6.4237 -6.4237 -5.8709 -5.8709 -5.7409 -5.7409 -0.8350 -0.8350 1.0080 1.0080 1.1895 1.1895 6.7168 6.7168 7.1341 7.1341 7.1593 7.1593 7.7916 7.7916 7.9950 7.9950 8.8746 8.8746 9.1275 9.1275 9.4051 9.4051 9.7993 9.7993 13.6185 13.6185 13.6634 13.6634 13.9101 13.9101 15.3164 15.3164 k =-0.3036 0.3027 0.0000 ( 2738 PWs) bands (ev): -45.9887 -45.9887 -22.7232 -22.7232 -22.1000 -22.1000 -22.0332 -22.0332 -14.3025 -14.3025 -6.4121 -6.4121 -5.8695 -5.8695 -5.7396 -5.7396 -0.8344 -0.8344 1.0061 1.0061 1.1897 1.1897 6.6760 6.6760 7.0682 7.0682 7.1129 7.1129 7.7778 7.7778 7.9629 7.9629 8.8900 8.8900 9.0970 9.0970 9.4153 9.4153 9.8153 9.8153 13.6568 13.6568 13.7004 13.7004 13.9518 13.9518 15.3315 15.3315 k =-0.3125 0.3116 0.0000 ( 2744 PWs) bands (ev): -45.9887 -45.9887 -22.7240 -22.7240 -22.1013 -22.1013 -22.0335 -22.0335 -14.2979 -14.2979 -6.3997 -6.3997 -5.8681 -5.8681 -5.7390 -5.7390 -0.8343 -0.8343 1.0032 1.0032 1.1898 1.1898 6.6365 6.6365 7.0011 7.0011 7.0702 7.0702 7.7643 7.7643 7.9318 7.9318 8.9094 8.9094 9.0672 9.0672 9.4251 9.4251 9.8323 9.8323 13.6943 13.6943 13.7362 13.7362 13.9928 13.9928 15.3456 15.3456 k =-0.3214 0.3205 0.0000 ( 2740 PWs) bands (ev): -45.9886 -45.9886 -22.7247 -22.7247 -22.1025 -22.1025 -22.0337 -22.0337 -14.2934 -14.2934 -6.3865 -6.3865 -5.8668 -5.8668 -5.7391 -5.7391 -0.8346 -0.8346 0.9994 0.9994 1.1901 1.1901 6.5983 6.5983 6.9351 6.9351 7.0293 7.0293 7.7510 7.7510 7.9019 7.9019 8.9325 8.9325 9.0383 9.0383 9.4348 9.4348 9.8501 9.8501 13.7310 13.7310 13.7707 13.7707 14.0327 14.0327 15.3587 15.3587 k =-0.3304 0.3294 0.0000 ( 2738 PWs) bands (ev): -45.9886 -45.9886 -22.7255 -22.7255 -22.1037 -22.1037 -22.0340 -22.0340 -14.2891 -14.2891 -6.3726 -6.3726 -5.8655 -5.8655 -5.7399 -5.7399 -0.8352 -0.8352 0.9946 0.9946 1.1906 1.1906 6.5613 6.5613 6.8711 6.8711 6.9898 6.9898 7.7381 7.7381 7.8732 7.8732 8.9585 8.9585 9.0104 9.0104 9.4442 9.4442 9.8684 9.8684 13.7666 13.7666 13.8039 13.8039 14.0715 14.0715 15.3708 15.3708 k =-0.3393 0.3383 0.0000 ( 2738 PWs) bands (ev): -45.9885 -45.9885 -22.7262 -22.7262 -22.1049 -22.1049 -22.0342 -22.0342 -14.2850 -14.2850 -6.3580 -6.3580 -5.8642 -5.8642 -5.7415 -5.7415 -0.8361 -0.8361 0.9890 0.9890 1.1914 1.1914 6.5255 6.5255 6.8093 6.8093 6.9517 6.9517 7.7255 7.7255 7.8457 7.8457 8.9788 8.9788 8.9920 8.9920 9.4534 9.4534 9.8872 9.8872 13.8010 13.8010 13.8357 13.8357 14.1092 14.1092 15.3819 15.3819 k =-0.3482 0.3472 0.0000 ( 2738 PWs) bands (ev): -45.9885 -45.9885 -22.7269 -22.7269 -22.1060 -22.1060 -22.0345 -22.0345 -14.2810 -14.2810 -6.3427 -6.3427 -5.8629 -5.8629 -5.7439 -5.7439 -0.8374 -0.8374 0.9825 0.9825 1.1925 1.1925 6.4909 6.4909 6.7502 6.7502 6.9151 6.9151 7.7132 7.7132 7.8195 7.8195 8.9556 8.9556 9.0207 9.0207 9.4624 9.4624 9.9062 9.9062 13.8342 13.8342 13.8661 13.8661 14.1454 14.1454 15.3921 15.3921 k =-0.3571 0.3561 0.0000 ( 2744 PWs) bands (ev): -45.9884 -45.9884 -22.7276 -22.7276 -22.1071 -22.1071 -22.0347 -22.0347 -14.2773 -14.2773 -6.3267 -6.3267 -5.8617 -5.8617 -5.7471 -5.7471 -0.8389 -0.8389 0.9755 0.9755 1.1939 1.1939 6.4575 6.4575 6.6940 6.6940 6.8800 6.8800 7.7014 7.7014 7.7946 7.7946 8.9307 8.9307 9.0540 9.0540 9.4711 9.4711 9.9252 9.9252 13.8660 13.8660 13.8951 13.8951 14.1802 14.1802 15.4013 15.4013 k =-0.3661 0.3650 0.0000 ( 2744 PWs) bands (ev): -45.9884 -45.9884 -22.7283 -22.7283 -22.1082 -22.1082 -22.0349 -22.0349 -14.2737 -14.2737 -6.3103 -6.3103 -5.8606 -5.8606 -5.7512 -5.7512 -0.8407 -0.8407 0.9679 0.9679 1.1956 1.1956 6.4252 6.4252 6.6410 6.6410 6.8466 6.8466 7.6900 7.6900 7.7710 7.7710 8.9068 8.9068 9.0889 9.0889 9.4797 9.4797 9.9441 9.9441 13.8962 13.8963 13.9226 13.9226 14.2135 14.2135 15.4095 15.4095 k =-0.3750 0.3739 0.0000 ( 2734 PWs) bands (ev): -45.9884 -45.9884 -22.7289 -22.7289 -22.1091 -22.1091 -22.0351 -22.0351 -14.2704 -14.2704 -6.2933 -6.2933 -5.8595 -5.8595 -5.7561 -5.7561 -0.8426 -0.8426 0.9600 0.9600 1.1975 1.1975 6.3940 6.3940 6.5914 6.5914 6.8149 6.8149 7.6791 7.6791 7.7488 7.7488 8.8841 8.8841 9.1248 9.1248 9.4880 9.4880 9.9626 9.9626 13.9249 13.9249 13.9487 13.9487 14.2450 14.2450 15.4169 15.4169 k =-0.3839 0.3828 0.0000 ( 2732 PWs) bands (ev): -45.9883 -45.9883 -22.7294 -22.7294 -22.1100 -22.1100 -22.0353 -22.0353 -14.2672 -14.2672 -6.2760 -6.2760 -5.8585 -5.8585 -5.7619 -5.7619 -0.8447 -0.8447 0.9519 0.9519 1.1995 1.1995 6.3638 6.3638 6.5454 6.5454 6.7851 6.7851 7.6687 7.6687 7.7280 7.7280 8.8627 8.8627 9.1610 9.1610 9.4962 9.4962 9.9806 9.9806 13.9517 13.9517 13.9733 13.9733 14.2747 14.2747 15.4234 15.4234 k =-0.3929 0.3917 0.0000 ( 2738 PWs) bands (ev): -45.9883 -45.9883 -22.7300 -22.7300 -22.1109 -22.1109 -22.0355 -22.0355 -14.2643 -14.2643 -6.2583 -6.2583 -5.8575 -5.8575 -5.7685 -5.7685 -0.8469 -0.8469 0.9437 0.9437 1.2017 1.2017 6.3346 6.3346 6.5034 6.5034 6.7571 6.7571 7.6588 7.6588 7.7087 7.7087 8.8427 8.8427 9.1970 9.1970 9.5043 9.5043 9.9980 9.9980 13.9766 13.9766 13.9966 13.9966 14.3025 14.3025 15.4291 15.4291 k =-0.4018 0.4006 0.0000 ( 2738 PWs) bands (ev): -45.9883 -45.9883 -22.7305 -22.7305 -22.1117 -22.1117 -22.0357 -22.0357 -14.2616 -14.2616 -6.2405 -6.2405 -5.8567 -5.8567 -5.7759 -5.7759 -0.8491 -0.8491 0.9357 0.9357 1.2040 1.2040 6.3063 6.3063 6.4653 6.4653 6.7311 6.7311 7.6496 7.6496 7.6908 7.6908 8.8241 8.8241 9.2321 9.2321 9.5123 9.5123 10.0145 10.0145 13.9995 13.9995 14.0184 14.0184 14.3283 14.3283 15.4341 15.4341 k =-0.4107 0.4095 0.0000 ( 2744 PWs) bands (ev): -45.9882 -45.9882 -22.7310 -22.7310 -22.1125 -22.1125 -22.0359 -22.0359 -14.2592 -14.2592 -6.2227 -6.2227 -5.8559 -5.8559 -5.7839 -5.7839 -0.8513 -0.8513 0.9280 0.9280 1.2062 1.2062 6.2792 6.2792 6.4314 6.4314 6.7071 6.7071 7.6410 7.6410 7.6744 7.6744 8.8070 8.8070 9.2658 9.2658 9.5202 9.5202 10.0301 10.0301 14.0202 14.0202 14.0389 14.0389 14.3520 14.3520 15.4383 15.4383 k =-0.4196 0.4184 0.0000 ( 2744 PWs) bands (ev): -45.9882 -45.9882 -22.7315 -22.7315 -22.1132 -22.1132 -22.0360 -22.0360 -14.2569 -14.2569 -6.2050 -6.2050 -5.8552 -5.8552 -5.7924 -5.7924 -0.8534 -0.8534 0.9206 0.9206 1.2084 1.2084 6.2535 6.2535 6.4015 6.4015 6.6852 6.6852 7.6330 7.6330 7.6595 7.6595 8.7914 8.7914 9.2975 9.2975 9.5281 9.5281 10.0447 10.0447 14.0388 14.0388 14.0579 14.0579 14.3736 14.3736 15.4419 15.4419 k =-0.4286 0.4273 0.0000 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7318 -22.7318 -22.1138 -22.1138 -22.0361 -22.0361 -14.2549 -14.2549 -6.1876 -6.1876 -5.8547 -5.8547 -5.8014 -5.8014 -0.8555 -0.8555 0.9138 0.9138 1.2105 1.2105 6.2292 6.2292 6.3755 6.3755 6.6655 6.6655 7.6258 7.6258 7.6461 7.6461 8.7773 8.7773 9.3267 9.3267 9.5361 9.5361 10.0580 10.0580 14.0552 14.0552 14.0752 14.0752 14.3930 14.3930 15.4449 15.4449 k =-0.4375 0.4362 0.0000 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7322 -22.7322 -22.1144 -22.1144 -22.0362 -22.0362 -14.2531 -14.2531 -6.1707 -6.1707 -5.8544 -5.8544 -5.8106 -5.8106 -0.8574 -0.8574 0.9075 0.9075 1.2125 1.2125 6.2069 6.2069 6.3532 6.3532 6.6480 6.6480 7.6194 7.6194 7.6343 7.6343 8.7649 8.7649 9.3528 9.3528 9.5440 9.5440 10.0700 10.0700 14.0696 14.0696 14.0909 14.0909 14.4102 14.4102 15.4474 15.4474 k =-0.4464 0.4451 0.0000 ( 2736 PWs) bands (ev): -45.9881 -45.9881 -22.7325 -22.7325 -22.1148 -22.1148 -22.0363 -22.0363 -14.2516 -14.2516 -6.1547 -6.1547 -5.8543 -5.8543 -5.8196 -5.8196 -0.8592 -0.8592 0.9019 0.9019 1.2142 1.2142 6.1869 6.1869 6.3344 6.3344 6.6327 6.6327 7.6137 7.6137 7.6240 7.6240 8.7540 8.7540 9.3756 9.3756 9.5518 9.5518 10.0806 10.0806 14.0820 14.0820 14.1047 14.1047 14.4251 14.4251 15.4494 15.4494 k =-0.4554 0.4540 0.0000 ( 2736 PWs) bands (ev): -45.9881 -45.9881 -22.7327 -22.7327 -22.1152 -22.1152 -22.0364 -22.0364 -14.2503 -14.2503 -6.1399 -6.1399 -5.8547 -5.8547 -5.8280 -5.8280 -0.8607 -0.8607 0.8971 0.8971 1.2158 1.2158 6.1693 6.1693 6.3189 6.3189 6.6198 6.6198 7.6088 7.6088 7.6153 7.6153 8.7448 8.7448 9.3946 9.3946 9.5594 9.5594 10.0897 10.0897 14.0924 14.0924 14.1165 14.1165 14.4377 14.4377 15.4510 15.4510 k =-0.4643 0.4629 0.0000 ( 2732 PWs) bands (ev): -45.9881 -45.9881 -22.7329 -22.7329 -22.1155 -22.1155 -22.0365 -22.0365 -14.2492 -14.2492 -6.1268 -6.1268 -5.8557 -5.8557 -5.8351 -5.8351 -0.8620 -0.8620 0.8930 0.8930 1.2171 1.2171 6.1546 6.1546 6.3064 6.3064 6.6091 6.6091 7.6047 7.6047 7.6082 7.6082 8.7373 8.7373 9.4099 9.4099 9.5664 9.5664 10.0973 10.0973 14.1009 14.1009 14.1263 14.1263 14.4480 14.4480 15.4523 15.4523 k =-0.4732 0.4718 0.0000 ( 2726 PWs) bands (ev): -45.9881 -45.9881 -22.7330 -22.7330 -22.1158 -22.1158 -22.0365 -22.0365 -14.2484 -14.2484 -6.1156 -6.1156 -5.8577 -5.8577 -5.8403 -5.8403 -0.8631 -0.8631 0.8898 0.8898 1.2181 1.2181 6.1430 6.1430 6.2969 6.2969 6.6008 6.6008 7.6012 7.6012 7.6030 7.6030 8.7314 8.7314 9.4215 9.4215 9.5725 9.5725 10.1032 10.1032 14.1075 14.1075 14.1339 14.1339 14.4561 14.4561 15.4532 15.4532 k =-0.4821 0.4807 0.0000 ( 2730 PWs) bands (ev): -45.9881 -45.9881 -22.7332 -22.7332 -22.1160 -22.1160 -22.0365 -22.0365 -14.2478 -14.2478 -6.1072 -6.1072 -5.8604 -5.8604 -5.8432 -5.8432 -0.8638 -0.8638 0.8875 0.8875 1.2189 1.2189 6.1346 6.1346 6.2901 6.2901 6.5948 6.5948 7.5980 7.5980 7.5999 7.5999 8.7272 8.7272 9.4296 9.4296 9.5773 9.5773 10.1075 10.1075 14.1122 14.1122 14.1394 14.1394 14.4618 14.4618 15.4538 15.4538 k =-0.4911 0.4896 0.0000 ( 2724 PWs) bands (ev): -45.9881 -45.9881 -22.7332 -22.7332 -22.1160 -22.1160 -22.0365 -22.0365 -14.2474 -14.2474 -6.1018 -6.1018 -5.8627 -5.8627 -5.8445 -5.8445 -0.8643 -0.8643 0.8861 0.8861 1.2194 1.2194 6.1295 6.1295 6.2861 6.2861 6.5912 6.5912 7.5958 7.5958 7.5984 7.5984 8.7246 8.7246 9.4344 9.4344 9.5803 9.5803 10.1101 10.1101 14.1150 14.1150 14.1427 14.1427 14.4652 14.4652 15.4542 15.4542 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7333 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1000 -6.1000 -5.8636 -5.8636 -5.8449 -5.8449 -0.8644 -0.8644 0.8857 0.8857 1.2195 1.2195 6.1278 6.1278 6.2848 6.2848 6.5900 6.5900 7.5950 7.5950 7.5979 7.5979 8.7238 8.7238 9.4360 9.4360 9.5813 9.5813 10.1110 10.1110 14.1159 14.1159 14.1438 14.1438 14.4664 14.4664 15.4543 15.4543 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7333 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1000 -6.1000 -5.8636 -5.8636 -5.8449 -5.8449 -0.8644 -0.8644 0.8857 0.8857 1.2195 1.2195 6.1278 6.1278 6.2848 6.2848 6.5900 6.5900 7.5950 7.5950 7.5979 7.5979 8.7238 8.7238 9.4360 9.4360 9.5813 9.5813 10.1110 10.1110 14.1159 14.1159 14.1438 14.1438 14.4664 14.4664 15.4543 15.4543 k =-0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1001 -6.1000 -5.8640 -5.8632 -5.8452 -5.8445 -0.8645 -0.8644 0.8856 0.8858 1.2195 1.2195 6.1278 6.1278 6.2847 6.2848 6.5901 6.5901 7.5944 7.5953 7.5977 7.5985 8.7238 8.7238 9.4355 9.4364 9.5807 9.5818 10.1109 10.1110 14.1159 14.1159 14.1438 14.1438 14.4663 14.4664 15.4543 15.4543 k =-0.4985 0.5000-0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1001 -6.1000 -5.8640 -5.8632 -5.8452 -5.8445 -0.8645 -0.8644 0.8856 0.8858 1.2195 1.2195 6.1278 6.1278 6.2847 6.2848 6.5901 6.5901 7.5944 7.5953 7.5977 7.5985 8.7238 8.7238 9.4355 9.4364 9.5807 9.5818 10.1109 10.1110 14.1159 14.1159 14.1438 14.1438 14.4663 14.4664 15.4543 15.4543 k =-0.4985 0.5000 0.0126 ( 2730 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0367 -22.0366 -14.2472 -14.2472 -6.0994 -6.0991 -5.8638 -5.8629 -5.8450 -5.8443 -0.8671 -0.8639 0.8843 0.8846 1.2152 1.2195 6.1273 6.1288 6.2874 6.2877 6.5901 6.5901 7.5950 7.5961 7.5984 7.5996 8.7191 8.7196 9.4367 9.4377 9.5814 9.5825 10.1110 10.1111 14.1162 14.1171 14.1434 14.1442 14.4666 14.4669 15.4590 15.4603 k =-0.4985 0.5000 0.0252 ( 2730 PWs) bands (ev): -45.9881 -45.9881 -22.7334 -22.7332 -22.1161 -22.1161 -22.0369 -22.0367 -14.2469 -14.2469 -6.0970 -6.0967 -5.8630 -5.8620 -5.8443 -5.8436 -0.8719 -0.8655 0.8807 0.8810 1.2067 1.2152 6.1273 6.1302 6.2955 6.2959 6.5900 6.5901 7.5964 7.5983 7.6012 7.6028 8.7056 8.7065 9.4404 9.4414 9.5834 9.5847 10.1113 10.1114 14.1179 14.1198 14.1432 14.1445 14.4677 14.4682 15.4743 15.4769 k =-0.4985 0.5000 0.0378 ( 2736 PWs) bands (ev): -45.9881 -45.9881 -22.7336 -22.7333 -22.1161 -22.1161 -22.0374 -22.0370 -14.2464 -14.2464 -6.0931 -6.0926 -5.8618 -5.8605 -5.8432 -5.8425 -0.8788 -0.8693 0.8747 0.8750 1.1940 1.2067 6.1278 6.1318 6.3092 6.3096 6.5900 6.5900 7.5986 7.6010 7.6066 7.6083 8.6835 8.6849 9.4465 9.4476 9.5868 9.5882 10.1118 10.1120 14.1206 14.1239 14.1437 14.1449 14.4696 14.4703 15.4998 15.5036 k =-0.4985 0.5000 0.0504 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7337 -22.7334 -22.1161 -22.1160 -22.0379 -22.0374 -14.2456 -14.2456 -6.0875 -6.0869 -5.8600 -5.8584 -5.8415 -5.8408 -0.8878 -0.8751 0.8663 0.8667 1.1774 1.1940 6.1286 6.1333 6.3284 6.3287 6.5899 6.5899 7.6015 7.6044 7.6142 7.6160 8.6535 8.6552 9.4549 9.4560 9.5915 9.5931 10.1126 10.1127 14.1239 14.1293 14.1457 14.1461 14.4723 14.4732 15.5352 15.5400 k =-0.4985 0.5000 0.0631 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7339 -22.7335 -22.1160 -22.1160 -22.0385 -22.0379 -14.2447 -14.2447 -6.0805 -6.0797 -5.8577 -5.8558 -5.8395 -5.8388 -0.8987 -0.8831 0.8557 0.8561 1.1569 1.1774 6.1296 6.1348 6.3530 6.3533 6.5898 6.5898 7.6049 7.6086 7.6239 7.6258 8.6160 8.6180 9.4654 9.4665 9.5976 9.5994 10.1135 10.1136 14.1270 14.1350 14.1489 14.1500 14.4758 14.4769 15.5795 15.5853 k =-0.4985 0.5000 0.0757 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7342 -22.7336 -22.1160 -22.1160 -22.0392 -22.0385 -14.2435 -14.2435 -6.0719 -6.0709 -5.8549 -5.8527 -5.8370 -5.8363 -0.9116 -0.8930 0.8429 0.8434 1.1329 1.1571 6.1306 6.1359 6.3827 6.3833 6.5897 6.5897 7.6090 7.6134 7.6354 7.6373 8.5718 8.5740 9.4779 9.4791 9.6050 9.6069 10.1146 10.1148 14.1299 14.1399 14.1549 14.1572 14.4800 14.4812 15.6321 15.6386 k =-0.4985 0.5000 0.0883 ( 2738 PWs) bands (ev): -45.9880 -45.9880 -22.7344 -22.7338 -22.1159 -22.1159 -22.0400 -22.0393 -14.2422 -14.2422 -6.0618 -6.0607 -5.8516 -5.8491 -5.8341 -5.8334 -0.9262 -0.9049 0.8280 0.8286 1.1056 1.1332 6.1315 6.1369 6.4172 6.4182 6.5895 6.5897 7.6133 7.6187 7.6484 7.6505 8.5216 8.5239 9.4924 9.4935 9.6137 9.6158 10.1160 10.1161 14.1331 14.1438 14.1644 14.1668 14.4849 14.4862 15.6921 15.6992 k =-0.4985 0.5000 0.1009 ( 2742 PWs) bands (ev): -45.9880 -45.9880 -22.7347 -22.7341 -22.1159 -22.1159 -22.0409 -22.0401 -14.2407 -14.2407 -6.0503 -6.0490 -5.8478 -5.8450 -5.8307 -5.8300 -0.9426 -0.9186 0.8112 0.8118 1.0754 1.1062 6.1323 6.1376 6.4564 6.4576 6.5894 6.5897 7.6179 7.6243 7.6628 7.6650 8.4663 8.4686 9.5088 9.5099 9.6238 9.6260 10.1175 10.1176 14.1371 14.1481 14.1765 14.1787 14.4905 14.4919 15.7584 15.7659 k =-0.4985 0.5000 0.1135 ( 2756 PWs) bands (ev): -45.9880 -45.9880 -22.7351 -22.7343 -22.1159 -22.1158 -22.0420 -22.0411 -14.2390 -14.2390 -6.0375 -6.0360 -5.8435 -5.8404 -5.8270 -5.8263 -0.9606 -0.9341 0.7925 0.7932 1.0424 1.0761 6.1330 6.1380 6.4998 6.5008 6.5894 6.5901 7.6225 7.6300 7.6781 7.6806 8.4068 8.4090 9.5269 9.5280 9.6353 9.6375 10.1192 10.1193 14.1423 14.1533 14.1904 14.1923 14.4968 14.4982 15.8301 15.8379 k =-0.4985 0.5000 0.1261 ( 2755 PWs) bands (ev): -45.9879 -45.9879 -22.7354 -22.7346 -22.1158 -22.1157 -22.0431 -22.0421 -14.2372 -14.2371 -6.0234 -6.0217 -5.8388 -5.8354 -5.8229 -5.8222 -0.9801 -0.9513 0.7721 0.7729 1.0072 1.0435 6.1334 6.1383 6.5463 6.5470 6.5896 6.5916 7.6267 7.6355 7.6940 7.6968 8.3442 8.3461 9.5469 9.5479 9.6482 9.6504 10.1210 10.1212 14.1490 14.1600 14.2060 14.2077 14.5036 14.5051 15.9063 15.9143 k =-0.4985 0.5000 0.1387 ( 2752 PWs) bands (ev): -45.9879 -45.9879 -22.7358 -22.7349 -22.1157 -22.1156 -22.0443 -22.0432 -14.2351 -14.2351 -6.0081 -6.0062 -5.8337 -5.8299 -5.8185 -5.8177 -1.0010 -0.9700 0.7502 0.7510 0.9699 1.0086 6.1337 6.1383 6.5812 6.5863 6.6009 6.6071 7.6301 7.6402 7.7101 7.7132 8.2797 8.2812 9.5685 9.5696 9.6625 9.6648 10.1231 10.1233 14.1574 14.1682 14.2230 14.2245 14.5110 14.5126 15.9860 15.9941 k =-0.4985 0.5000 0.1513 ( 2744 PWs) bands (ev): -45.9879 -45.9879 -22.7361 -22.7352 -22.1156 -22.1155 -22.0455 -22.0444 -14.2330 -14.2330 -5.9916 -5.9896 -5.8281 -5.8241 -5.8136 -5.8129 -1.0230 -0.9900 0.7269 0.7278 0.9310 0.9717 6.1338 6.1381 6.5862 6.5882 6.6526 6.6552 7.6320 7.6435 7.7257 7.7294 8.2150 8.2159 9.5919 9.5930 9.6783 9.6806 10.1252 10.1255 14.1676 14.1781 14.2413 14.2427 14.5189 14.5205 16.0682 16.0765 k =-0.4985 0.5000 0.1640 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7366 -22.7355 -22.1155 -22.1154 -22.0469 -22.0456 -14.2307 -14.2307 -5.9742 -5.9719 -5.8223 -5.8179 -5.8085 -5.8078 -1.0461 -1.0114 0.7023 0.7033 0.8908 0.9332 6.1336 6.1377 6.5870 6.5884 6.7086 6.7096 7.6315 7.6442 7.7403 7.7446 8.1518 8.1524 9.6169 9.6181 9.6957 9.6979 10.1275 10.1278 14.1794 14.1897 14.2609 14.2621 14.5273 14.5289 16.1520 16.1603 k =-0.4985 0.5000 0.1766 ( 2746 PWs) bands (ev): -45.9878 -45.9878 -22.7370 -22.7359 -22.1154 -22.1154 -22.0483 -22.0470 -14.2283 -14.2283 -5.9558 -5.9533 -5.8161 -5.8113 -5.8031 -5.8023 -1.0702 -1.0339 0.6767 0.6778 0.8495 0.8933 6.1332 6.1370 6.5873 6.5884 6.7661 6.7666 7.6269 7.6404 7.7531 7.7578 8.0924 8.0943 9.6434 9.6447 9.7146 9.7168 10.1299 10.1303 14.1930 14.2029 14.2816 14.2827 14.5361 14.5376 16.2365 16.2448 k =-0.4985 0.5000 0.1892 ( 2740 PWs) bands (ev): -45.9877 -45.9877 -22.7374 -22.7363 -22.1153 -22.1152 -22.0497 -22.0483 -14.2258 -14.2258 -5.9366 -5.9338 -5.8096 -5.8045 -5.7974 -5.7966 -1.0950 -1.0574 0.6502 0.6514 0.8076 0.8525 6.1325 6.1360 6.5875 6.5884 6.8240 6.8261 7.6159 7.6294 7.7634 7.7683 8.0410 8.0449 9.6715 9.6729 9.7351 9.7373 10.1325 10.1329 14.2082 14.2177 14.3033 14.3043 14.5452 14.5467 16.3206 16.3290 k =-0.4985 0.5000 0.2018 ( 2740 PWs) bands (ev): -45.9877 -45.9877 -22.7378 -22.7367 -22.1152 -22.1151 -22.0512 -22.0498 -14.2232 -14.2232 -5.9167 -5.9136 -5.8029 -5.7974 -5.7914 -5.7906 -1.1203 -1.0817 0.6230 0.6244 0.7652 0.8109 6.1314 6.1347 6.5876 6.5885 6.8825 6.8866 7.5954 7.6075 7.7710 7.7754 8.0019 8.0081 9.7011 9.7026 9.7571 9.7593 10.1351 10.1357 14.2249 14.2340 14.3259 14.3268 14.5546 14.5561 16.4034 16.4119 k =-0.4985 0.5000 0.2144 ( 2738 PWs) bands (ev): -45.9877 -45.9877 -22.7383 -22.7371 -22.1151 -22.1150 -22.0527 -22.0513 -14.2206 -14.2206 -5.8963 -5.8928 -5.7961 -5.7901 -5.7852 -5.7844 -1.1462 -1.1066 0.5952 0.5968 0.7228 0.7689 6.1300 6.1331 6.5877 6.5886 6.9411 6.9475 7.5629 7.5727 7.7760 7.7802 7.9775 7.9856 9.7319 9.7335 9.7807 9.7829 10.1378 10.1385 14.2429 14.2516 14.3493 14.3502 14.5642 14.5657 16.4838 16.4925 k =-0.4985 0.5000 0.2270 ( 2732 PWs) bands (ev): -45.9876 -45.9876 -22.7387 -22.7375 -22.1149 -22.1149 -22.0542 -22.0527 -14.2179 -14.2179 -5.8755 -5.8715 -5.7891 -5.7826 -5.7788 -5.7780 -1.1723 -1.1321 0.5670 0.5688 0.6806 0.7267 6.1281 6.1309 6.5879 6.5887 6.9993 7.0082 7.5181 7.5254 7.7788 7.7855 7.9670 7.9760 9.7639 9.7657 9.8058 9.8080 10.1406 10.1414 14.2623 14.2705 14.3733 14.3742 14.5740 14.5755 16.5607 16.5699 k =-0.4985 0.5000 0.2396 ( 2736 PWs) bands (ev): -45.9876 -45.9876 -22.7392 -22.7380 -22.1148 -22.1148 -22.0557 -22.0543 -14.2152 -14.2151 -5.8545 -5.8499 -5.7820 -5.7749 -5.7720 -5.7712 -1.1985 -1.1580 0.5387 0.5407 0.6388 0.6847 6.1257 6.1283 6.5881 6.5888 7.0563 7.0681 7.4637 7.4689 7.7812 7.7922 7.9664 7.9755 9.7970 9.7988 9.8323 9.8346 10.1434 10.1444 14.2827 14.2905 14.3979 14.3987 14.5839 14.5854 16.6331 16.6429 k =-0.4985 0.5000 0.2522 ( 2728 PWs) bands (ev): -45.9875 -45.9875 -22.7396 -22.7384 -22.1147 -22.1146 -22.0572 -22.0558 -14.2124 -14.2124 -5.8336 -5.8282 -5.7750 -5.7670 -5.7651 -5.7641 -1.2246 -1.1840 0.5102 0.5126 0.5977 0.6431 6.1227 6.1251 6.5882 6.5889 7.1112 7.1263 7.4034 7.4074 7.7849 7.8004 7.9718 7.9808 9.8309 9.8327 9.8600 9.8624 10.1463 10.1475 14.3041 14.3115 14.4230 14.4237 14.5938 14.5953 16.6999 16.7106 k =-0.4985 0.5000 0.2649 ( 2724 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7389 -22.1146 -22.1145 -22.0587 -22.0573 -14.2096 -14.2096 -5.8132 -5.8065 -5.7679 -5.7592 -5.7578 -5.7563 -1.2506 -1.2101 0.4819 0.4846 0.5576 0.6020 6.1190 6.1212 6.5884 6.5891 7.1620 7.1808 7.3418 7.3451 7.7902 7.8101 7.9805 7.9891 9.8653 9.8673 9.8889 9.8915 10.1492 10.1506 14.3262 14.3333 14.4483 14.4490 14.6037 14.6052 16.7600 16.7721 k =-0.4985 0.5000 0.2775 ( 2738 PWs) bands (ev): -45.9874 -45.9874 -22.7406 -22.7394 -22.1145 -22.1145 -22.0603 -22.0589 -14.2069 -14.2069 -5.7938 -5.7853 -5.7610 -5.7516 -5.7500 -5.7473 -1.2762 -1.2361 0.4537 0.4570 0.5187 0.5618 6.1146 6.1166 6.5887 6.5893 7.1996 7.2193 7.2925 7.2931 7.7971 7.8210 7.9907 7.9991 9.9002 9.9022 9.9187 9.9216 10.1521 10.1538 14.3489 14.3557 14.4737 14.4744 14.6135 14.6150 16.8126 16.8264 k =-0.4985 0.5000 0.2901 ( 2740 PWs) bands (ev): -45.9874 -45.9874 -22.7411 -22.7399 -22.1144 -22.1144 -22.0618 -22.0604 -14.2042 -14.2041 -5.7764 -5.7655 -5.7540 -5.7442 -5.7410 -5.7365 -1.3012 -1.2618 0.4259 0.4298 0.4812 0.5226 6.1094 6.1112 6.5889 6.5895 7.1832 7.1902 7.2928 7.3091 7.8056 7.8333 8.0014 8.0096 9.9352 9.9373 9.9493 9.9526 10.1550 10.1571 14.3721 14.3785 14.4992 14.4999 14.6232 14.6246 16.8572 16.8730 k =-0.4985 0.5000 0.3027 ( 2740 PWs) bands (ev): -45.9874 -45.9874 -22.7416 -22.7404 -22.1143 -22.1143 -22.0633 -22.0619 -14.2015 -14.2015 -5.7620 -5.7503 -5.7459 -5.7368 -5.7290 -5.7230 -1.3256 -1.2870 0.3984 0.4032 0.4454 0.4846 6.1033 6.1049 6.5892 6.5897 7.1284 7.1315 7.3296 7.3533 7.8159 7.8468 8.0122 8.0202 9.9699 9.9720 9.9805 9.9842 10.1579 10.1605 14.3955 14.4016 14.5245 14.5252 14.6326 14.6341 16.8935 16.9117 k =-0.4985 0.5000 0.3153 ( 2740 PWs) bands (ev): -45.9873 -45.9873 -22.7420 -22.7409 -22.1142 -22.1142 -22.0647 -22.0633 -14.1989 -14.1989 -5.7507 -5.7424 -5.7357 -5.7296 -5.7123 -5.7069 -1.3492 -1.3117 0.3714 0.3774 0.4116 0.4481 6.0962 6.0976 6.5894 6.5900 7.0695 7.0716 7.3696 7.3975 7.8280 7.8617 8.0225 8.0304 10.0042 10.0061 10.0122 10.0163 10.1609 10.1640 14.4190 14.4248 14.5496 14.5502 14.6418 14.6433 16.9218 16.9426 k =-0.4985 0.5000 0.3279 ( 2750 PWs) bands (ev): -45.9873 -45.9873 -22.7425 -22.7414 -22.1142 -22.1141 -22.0661 -22.0648 -14.1963 -14.1963 -5.7418 -5.7361 -5.7272 -5.7226 -5.6934 -5.6893 -1.3718 -1.3357 0.3448 0.3524 0.3800 0.4132 6.0881 6.0893 6.5897 6.5902 7.0123 7.0140 7.4075 7.4383 7.8421 7.8779 8.0322 8.0401 10.0377 10.0388 10.0443 10.0484 10.1639 10.1678 14.4423 14.4479 14.5742 14.5748 14.6506 14.6522 16.9428 16.9664 k =-0.4985 0.5000 0.3405 ( 2752 PWs) bands (ev): -45.9872 -45.9872 -22.7429 -22.7418 -22.1141 -22.1140 -22.0674 -22.0661 -14.1939 -14.1939 -5.7343 -5.7302 -5.7197 -5.7158 -5.6743 -5.6712 -1.3933 -1.3587 0.3188 0.3284 0.3509 0.3801 6.0790 6.0801 6.5900 6.5905 6.9583 6.9597 7.4420 7.4748 7.8583 7.8952 8.0412 8.0491 10.0699 10.0702 10.0763 10.0801 10.1672 10.1722 14.4654 14.4707 14.5982 14.5988 14.6591 14.6607 16.9574 16.9838 k =-0.4985 0.5000 0.3531 ( 2758 PWs) bands (ev): -45.9872 -45.9872 -22.7433 -22.7423 -22.1140 -22.1140 -22.0687 -22.0675 -14.1916 -14.1916 -5.7277 -5.7247 -5.7127 -5.7092 -5.6555 -5.6533 -1.4136 -1.3808 0.2934 0.3054 0.3243 0.3489 6.0690 6.0698 6.5903 6.5907 6.9083 6.9095 7.4727 7.5064 7.8766 7.9134 8.0494 8.0575 10.0988 10.1016 10.1074 10.1106 10.1711 10.1777 14.4879 14.4930 14.6214 14.6221 14.6672 14.6688 16.9669 16.9958 k =-0.4985 0.5000 0.3658 ( 2760 PWs) bands (ev): -45.9872 -45.9872 -22.7437 -22.7427 -22.1139 -22.1139 -22.0698 -22.0687 -14.1894 -14.1894 -5.7218 -5.7195 -5.7062 -5.7030 -5.6376 -5.6359 -1.4326 -1.4018 0.2690 0.2834 0.3002 0.3200 6.0580 6.0587 6.5905 6.5909 6.8626 6.8636 7.4996 7.5331 7.8966 7.9323 8.0568 8.0650 10.1244 10.1316 10.1370 10.1380 10.1769 10.1857 14.5097 14.5146 14.6436 14.6443 14.6749 14.6765 16.9723 17.0036 k =-0.4985 0.5000 0.3784 ( 2754 PWs) bands (ev): -45.9871 -45.9871 -22.7439 -22.7431 -22.1138 -22.1138 -22.0709 -22.0698 -14.1873 -14.1873 -5.7164 -5.7146 -5.7001 -5.6972 -5.6207 -5.6194 -1.4502 -1.4215 0.2459 0.2625 0.2785 0.2936 6.0464 6.0469 6.5908 6.5912 6.8215 6.8223 7.5229 7.5552 7.9179 7.9515 8.0634 8.0718 10.1441 10.1564 10.1612 10.1649 10.1891 10.1984 14.5306 14.5353 14.6644 14.6652 14.6824 14.6839 16.9749 17.0079 k =-0.4985 0.5000 0.3910 ( 2746 PWs) bands (ev): -45.9871 -45.9871 -22.7442 -22.7434 -22.1138 -22.1137 -22.0718 -22.0708 -14.1854 -14.1854 -5.7116 -5.7101 -5.6945 -5.6918 -5.6050 -5.6039 -1.4662 -1.4399 0.2245 0.2426 0.2589 0.2699 6.0343 6.0347 6.5911 6.5914 6.7850 6.7857 7.5427 7.5731 7.9399 7.9704 8.0693 8.0778 10.1565 10.1659 10.1877 10.1910 10.2098 10.2164 14.5504 14.5549 14.6819 14.6832 14.6913 14.6923 16.9755 17.0093 k =-0.4985 0.5000 0.4036 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7445 -22.7438 -22.1137 -22.1137 -22.0727 -22.0718 -14.1837 -14.1837 -5.7072 -5.7060 -5.6893 -5.6868 -5.5905 -5.5897 -1.4806 -1.4568 0.2050 0.2237 0.2415 0.2490 6.0220 6.0222 6.5913 6.5916 6.7531 6.7537 7.5595 7.5873 7.9619 7.9886 8.0743 8.0832 10.1637 10.1701 10.2127 10.2153 10.2330 10.2373 14.5689 14.5732 14.6915 14.6934 14.7060 14.7065 16.9753 17.0075 k =-0.4985 0.5000 0.4162 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7448 -22.7441 -22.1136 -22.1136 -22.0735 -22.0727 -14.1822 -14.1821 -5.7033 -5.7023 -5.6846 -5.6824 -5.5775 -5.5769 -1.4933 -1.4722 0.1877 0.2059 0.2260 0.2312 6.0098 6.0100 6.5915 6.5918 6.7257 6.7262 7.5736 7.5983 7.9832 8.0056 8.0787 8.0878 10.1683 10.1728 10.2354 10.2376 10.2552 10.2581 14.5860 14.5900 14.6974 14.6992 14.7223 14.7227 16.9748 17.0000 k =-0.4985 0.5000 0.4288 ( 2758 PWs) bands (ev): -45.9871 -45.9871 -22.7450 -22.7444 -22.1136 -22.1136 -22.0742 -22.0735 -14.1808 -14.1808 -5.6999 -5.6991 -5.6805 -5.6785 -5.5660 -5.5655 -1.5043 -1.4859 0.1727 0.1894 0.2126 0.2161 5.9983 5.9984 6.5917 6.5920 6.7026 6.7030 7.5853 7.6067 8.0031 8.0210 8.0824 8.0917 10.1715 10.1748 10.2558 10.2575 10.2753 10.2774 14.6013 14.6050 14.7020 14.7039 14.7372 14.7376 16.9747 16.9819 k =-0.4985 0.5000 0.4414 ( 2764 PWs) bands (ev): -45.9870 -45.9870 -22.7452 -22.7447 -22.1136 -22.1135 -22.0748 -22.0742 -14.1796 -14.1796 -5.6970 -5.6964 -5.6769 -5.6752 -5.5561 -5.5557 -1.5134 -1.4979 0.1601 0.1747 0.2012 0.2037 5.9877 5.9877 6.5919 6.5921 6.6836 6.6839 7.5950 7.6129 8.0210 8.0345 8.0855 8.0949 10.1738 10.1763 10.2734 10.2748 10.2929 10.2944 14.6148 14.6182 14.7059 14.7076 14.7503 14.7506 16.9554 16.9692 k =-0.4985 0.5000 0.4540 ( 2768 PWs) bands (ev): -45.9870 -45.9870 -22.7453 -22.7449 -22.1136 -22.1135 -22.0753 -22.0748 -14.1786 -14.1786 -5.6946 -5.6941 -5.6739 -5.6725 -5.5479 -5.5476 -1.5206 -1.5081 0.1500 0.1621 0.1919 0.1937 5.9784 5.9784 6.5921 6.5922 6.6685 6.6687 7.6029 7.6172 8.0364 8.0456 8.0882 8.0973 10.1756 10.1775 10.2881 10.2892 10.3076 10.3088 14.6262 14.6291 14.7090 14.7106 14.7613 14.7616 16.9299 16.9385 k =-0.4985 0.5000 0.4666 ( 2774 PWs) bands (ev): -45.9870 -45.9870 -22.7454 -22.7451 -22.1135 -22.1135 -22.0757 -22.0753 -14.1779 -14.1779 -5.6927 -5.6923 -5.6715 -5.6704 -5.5414 -5.5412 -1.5259 -1.5164 0.1425 0.1518 0.1846 0.1859 5.9708 5.9708 6.5922 6.5923 6.6570 6.6571 7.6092 7.6199 8.0489 8.0545 8.0906 8.0988 10.1770 10.1783 10.2998 10.3007 10.3193 10.3202 14.6355 14.6378 14.7114 14.7127 14.7701 14.7703 16.9087 16.9145 k =-0.4985 0.5000 0.4793 ( 2782 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7453 -22.1135 -22.1135 -22.0759 -22.0757 -14.1773 -14.1773 -5.6913 -5.6911 -5.6697 -5.6690 -5.5368 -5.5367 -1.5292 -1.5229 0.1375 0.1438 0.1793 0.1804 5.9651 5.9652 6.5923 6.5924 6.6489 6.6490 7.6140 7.6212 8.0581 8.0608 8.0929 8.0993 10.1780 10.1788 10.3082 10.3089 10.3278 10.3285 14.6423 14.6440 14.7132 14.7142 14.7764 14.7766 16.8931 16.8970 k =-0.4985 0.5000 0.4919 ( 2788 PWs) bands (ev): -45.9870 -45.9870 -22.7456 -22.7455 -22.1135 -22.1135 -22.0761 -22.0760 -14.1770 -14.1770 -5.6905 -5.6903 -5.6685 -5.6682 -5.5340 -5.5339 -1.5306 -1.5274 0.1352 0.1384 0.1762 0.1771 5.9617 5.9617 6.5923 6.5924 6.6441 6.6442 7.6176 7.6212 8.0636 8.0646 8.0951 8.0988 10.1787 10.1791 10.3133 10.3139 10.3329 10.3335 14.6467 14.6476 14.7144 14.7149 14.7803 14.7804 16.8837 16.8863 k =-0.4985 0.5000 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6902 -5.6901 -5.6681 -5.6679 -5.5330 -5.5330 -1.5303 -1.5297 0.1353 0.1356 0.1751 0.1761 5.9605 5.9605 6.5923 6.5924 6.6425 6.6426 7.6197 7.6203 8.0656 8.0657 8.0968 8.0977 10.1790 10.1790 10.3150 10.3156 10.3346 10.3351 14.6485 14.6485 14.7149 14.7150 14.7816 14.7816 16.8807 16.8826 k =-0.4985 0.5000 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6902 -5.6901 -5.6681 -5.6679 -5.5330 -5.5330 -1.5303 -1.5297 0.1353 0.1356 0.1751 0.1761 5.9605 5.9605 6.5923 6.5924 6.6425 6.6426 7.6197 7.6203 8.0656 8.0657 8.0968 8.0977 10.1790 10.1790 10.3150 10.3156 10.3346 10.3351 14.6485 14.6485 14.7149 14.7150 14.7816 14.7816 16.8807 16.8826 k =-0.5000 0.4985 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6901 -5.6901 -5.6680 -5.6680 -5.5330 -5.5330 -1.5300 -1.5300 0.1354 0.1354 0.1756 0.1756 5.9605 5.9605 6.5923 6.5923 6.6425 6.6425 7.6200 7.6200 8.0657 8.0657 8.0973 8.0973 10.1791 10.1791 10.3153 10.3153 10.3349 10.3349 14.6485 14.6485 14.7150 14.7150 14.7816 14.7816 16.8817 16.8817 k =-0.5000 0.4985 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6901 -5.6901 -5.6680 -5.6680 -5.5330 -5.5330 -1.5300 -1.5300 0.1354 0.1354 0.1756 0.1756 5.9605 5.9605 6.5923 6.5923 6.6425 6.6425 7.6200 7.6200 8.0657 8.0657 8.0973 8.0973 10.1791 10.1791 10.3153 10.3153 10.3349 10.3349 14.6485 14.6485 14.7150 14.7150 14.7816 14.7816 16.8817 16.8817 k =-0.5000 0.4985 0.4919 ( 2788 PWs) bands (ev): -45.9870 -45.9870 -22.7456 -22.7455 -22.1135 -22.1135 -22.0761 -22.0760 -14.1770 -14.1770 -5.6904 -5.6903 -5.6685 -5.6682 -5.5340 -5.5339 -1.5306 -1.5274 0.1352 0.1383 0.1765 0.1767 5.9616 5.9616 6.5923 6.5923 6.6441 6.6441 7.6177 7.6212 8.0637 8.0646 8.0952 8.0988 10.1787 10.1791 10.3135 10.3138 10.3331 10.3333 14.6467 14.6476 14.7144 14.7149 14.7803 14.7804 16.8843 16.8858 k =-0.5000 0.4985 0.4793 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7453 -22.1135 -22.1135 -22.0760 -22.0757 -14.1773 -14.1773 -5.6913 -5.6911 -5.6696 -5.6690 -5.5368 -5.5367 -1.5293 -1.5229 0.1375 0.1438 0.1796 0.1801 5.9651 5.9651 6.5922 6.5923 6.6489 6.6490 7.6141 7.6212 8.0581 8.0608 8.0929 8.0993 10.1780 10.1789 10.3084 10.3088 10.3279 10.3284 14.6424 14.6440 14.7132 14.7142 14.7764 14.7766 16.8934 16.8968 k =-0.5000 0.4985 0.4666 ( 2772 PWs) bands (ev): -45.9870 -45.9870 -22.7454 -22.7451 -22.1135 -22.1135 -22.0756 -22.0753 -14.1779 -14.1779 -5.6927 -5.6923 -5.6714 -5.6704 -5.5414 -5.5412 -1.5259 -1.5164 0.1424 0.1517 0.1848 0.1856 5.9708 5.9708 6.5921 6.5923 6.6570 6.6571 7.6092 7.6199 8.0490 8.0545 8.0906 8.0988 10.1770 10.1783 10.2999 10.3006 10.3195 10.3201 14.6355 14.6378 14.7115 14.7128 14.7701 14.7703 16.9089 16.9143 k =-0.5000 0.4985 0.4540 ( 2768 PWs) bands (ev): -45.9870 -45.9870 -22.7453 -22.7449 -22.1135 -22.1135 -22.0753 -22.0748 -14.1786 -14.1786 -5.6946 -5.6941 -5.6738 -5.6725 -5.5479 -5.5476 -1.5206 -1.5081 0.1500 0.1621 0.1920 0.1934 5.9784 5.9784 6.5920 6.5922 6.6685 6.6687 7.6029 7.6172 8.0365 8.0457 8.0882 8.0973 10.1757 10.1775 10.2882 10.2892 10.3078 10.3088 14.6263 14.6292 14.7090 14.7106 14.7613 14.7616 16.9304 16.9388 k =-0.5000 0.4985 0.4414 ( 2764 PWs) bands (ev): -45.9870 -45.9870 -22.7452 -22.7447 -22.1136 -22.1135 -22.0748 -22.0742 -14.1796 -14.1796 -5.6970 -5.6964 -5.6768 -5.6752 -5.5561 -5.5557 -1.5134 -1.4979 0.1601 0.1747 0.2014 0.2035 5.9876 5.9877 6.5919 6.5921 6.6836 6.6839 7.5950 7.6129 8.0210 8.0345 8.0855 8.0949 10.1739 10.1764 10.2735 10.2747 10.2930 10.2944 14.6148 14.6182 14.7059 14.7077 14.7503 14.7506 16.9561 16.9751 k =-0.5000 0.4985 0.4288 ( 2760 PWs) bands (ev): -45.9871 -45.9871 -22.7450 -22.7444 -22.1136 -22.1136 -22.0742 -22.0735 -14.1808 -14.1808 -5.6999 -5.6991 -5.6804 -5.6785 -5.5660 -5.5655 -1.5043 -1.4859 0.1726 0.1894 0.2128 0.2159 5.9982 5.9984 6.5917 6.5919 6.7026 6.7030 7.5853 7.6067 8.0031 8.0211 8.0824 8.0917 10.1715 10.1749 10.2558 10.2574 10.2754 10.2774 14.6013 14.6051 14.7021 14.7039 14.7372 14.7376 16.9749 16.9817 k =-0.5000 0.4985 0.4162 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7448 -22.7441 -22.1136 -22.1136 -22.0735 -22.0727 -14.1822 -14.1821 -5.7033 -5.7023 -5.6846 -5.6824 -5.5775 -5.5769 -1.4934 -1.4722 0.1877 0.2058 0.2262 0.2310 6.0098 6.0100 6.5915 6.5917 6.7257 6.7262 7.5736 7.5983 7.9832 8.0057 8.0787 8.0878 10.1683 10.1729 10.2355 10.2375 10.2552 10.2581 14.5860 14.5900 14.6974 14.6993 14.7223 14.7227 16.9748 16.9999 k =-0.5000 0.4985 0.4036 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7445 -22.7438 -22.1137 -22.1137 -22.0727 -22.0718 -14.1837 -14.1837 -5.7072 -5.7060 -5.6893 -5.6868 -5.5905 -5.5897 -1.4807 -1.4568 0.2050 0.2236 0.2416 0.2489 6.0219 6.0222 6.5913 6.5916 6.7531 6.7537 7.5595 7.5873 7.9620 7.9887 8.0743 8.0832 10.1638 10.1702 10.2127 10.2153 10.2330 10.2373 14.5690 14.5732 14.6915 14.6934 14.7061 14.7065 16.9752 17.0074 k =-0.5000 0.4985 0.3910 ( 2744 PWs) bands (ev): -45.9871 -45.9871 -22.7442 -22.7434 -22.1137 -22.1137 -22.0717 -22.0708 -14.1854 -14.1854 -5.7116 -5.7101 -5.6944 -5.6917 -5.6050 -5.6039 -1.4662 -1.4399 0.2245 0.2426 0.2590 0.2697 6.0342 6.0346 6.5910 6.5914 6.7850 6.7857 7.5427 7.5731 7.9400 7.9704 8.0693 8.0779 10.1566 10.1659 10.1878 10.1910 10.2098 10.2165 14.5505 14.5550 14.6819 14.6832 14.6914 14.6923 16.9755 17.0092 k =-0.5000 0.4985 0.3784 ( 2752 PWs) bands (ev): -45.9871 -45.9871 -22.7439 -22.7431 -22.1138 -22.1138 -22.0709 -22.0698 -14.1873 -14.1873 -5.7164 -5.7146 -5.7001 -5.6971 -5.6207 -5.6194 -1.4502 -1.4216 0.2459 0.2625 0.2786 0.2935 6.0463 6.0469 6.5908 6.5911 6.8215 6.8223 7.5229 7.5553 7.9179 7.9515 8.0634 8.0718 10.1442 10.1565 10.1612 10.1648 10.1891 10.1984 14.5306 14.5353 14.6644 14.6652 14.6824 14.6839 16.9748 17.0078 k =-0.5000 0.4985 0.3658 ( 2760 PWs) bands (ev): -45.9872 -45.9872 -22.7437 -22.7427 -22.1139 -22.1139 -22.0698 -22.0687 -14.1894 -14.1894 -5.7218 -5.7195 -5.7062 -5.7030 -5.6377 -5.6359 -1.4327 -1.4018 0.2690 0.2833 0.3003 0.3199 6.0580 6.0587 6.5905 6.5909 6.8626 6.8636 7.4996 7.5332 7.8966 7.9323 8.0568 8.0650 10.1245 10.1316 10.1370 10.1380 10.1769 10.1857 14.5097 14.5146 14.6436 14.6443 14.6749 14.6765 16.9722 17.0035 k =-0.5000 0.4985 0.3531 ( 2760 PWs) bands (ev): -45.9872 -45.9872 -22.7433 -22.7423 -22.1140 -22.1140 -22.0687 -22.0675 -14.1916 -14.1916 -5.7277 -5.7247 -5.7127 -5.7092 -5.6556 -5.6533 -1.4137 -1.3809 0.2935 0.3053 0.3243 0.3488 6.0689 6.0698 6.5902 6.5907 6.9083 6.9095 7.4727 7.5064 7.8766 7.9134 8.0494 8.0575 10.0988 10.1016 10.1075 10.1106 10.1711 10.1778 14.4879 14.4930 14.6214 14.6221 14.6672 14.6688 16.9668 16.9958 k =-0.5000 0.4985 0.3405 ( 2752 PWs) bands (ev): -45.9872 -45.9872 -22.7429 -22.7418 -22.1141 -22.1140 -22.0674 -22.0661 -14.1939 -14.1939 -5.7342 -5.7302 -5.7196 -5.7157 -5.6743 -5.6713 -1.3933 -1.3588 0.3189 0.3283 0.3509 0.3800 6.0790 6.0800 6.5900 6.5904 6.9583 6.9597 7.4420 7.4748 7.8583 7.8952 8.0412 8.0491 10.0699 10.0703 10.0763 10.0802 10.1672 10.1722 14.4654 14.4707 14.5982 14.5989 14.6592 14.6607 16.9574 16.9837 k =-0.5000 0.4985 0.3279 ( 2752 PWs) bands (ev): -45.9873 -45.9873 -22.7425 -22.7414 -22.1142 -22.1141 -22.0661 -22.0648 -14.1963 -14.1963 -5.7417 -5.7361 -5.7271 -5.7225 -5.6935 -5.6894 -1.3718 -1.3357 0.3449 0.3523 0.3800 0.4131 6.0881 6.0893 6.5897 6.5902 7.0123 7.0140 7.4075 7.4384 7.8421 7.8779 8.0322 8.0401 10.0377 10.0389 10.0443 10.0485 10.1640 10.1679 14.4424 14.4479 14.5742 14.5749 14.6507 14.6522 16.9427 16.9663 k =-0.5000 0.4985 0.3153 ( 2740 PWs) bands (ev): -45.9873 -45.9873 -22.7420 -22.7409 -22.1142 -22.1142 -22.0647 -22.0633 -14.1989 -14.1989 -5.7506 -5.7424 -5.7355 -5.7296 -5.7125 -5.7071 -1.3492 -1.3117 0.3715 0.3773 0.4116 0.4480 6.0962 6.0976 6.5894 6.5899 7.0695 7.0716 7.3697 7.3976 7.8280 7.8617 8.0225 8.0304 10.0042 10.0061 10.0122 10.0163 10.1609 10.1640 14.4190 14.4248 14.5496 14.5503 14.6418 14.6433 16.9218 16.9426 k =-0.5000 0.4985 0.3027 ( 2740 PWs) bands (ev): -45.9874 -45.9874 -22.7416 -22.7404 -22.1143 -22.1143 -22.0633 -22.0619 -14.2015 -14.2015 -5.7619 -5.7502 -5.7456 -5.7368 -5.7291 -5.7232 -1.3256 -1.2870 0.3985 0.4031 0.4454 0.4846 6.1033 6.1048 6.5891 6.5897 7.1284 7.1315 7.3296 7.3534 7.8159 7.8468 8.0122 8.0201 9.9699 9.9721 9.9806 9.9843 10.1580 10.1605 14.3955 14.4016 14.5246 14.5252 14.6326 14.6341 16.8935 16.9116 k =-0.5000 0.4985 0.2901 ( 2740 PWs) bands (ev): -45.9874 -45.9874 -22.7411 -22.7399 -22.1144 -22.1144 -22.0618 -22.0604 -14.2042 -14.2041 -5.7763 -5.7653 -5.7540 -5.7441 -5.7411 -5.7368 -1.3012 -1.2618 0.4260 0.4297 0.4811 0.5225 6.1094 6.1112 6.5889 6.5895 7.1832 7.1902 7.2928 7.3091 7.8056 7.8333 8.0015 8.0096 9.9352 9.9373 9.9493 9.9526 10.1550 10.1571 14.3721 14.3785 14.4992 14.4999 14.6232 14.6247 16.8572 16.8730 k =-0.5000 0.4985 0.2775 ( 2736 PWs) bands (ev): -45.9874 -45.9874 -22.7406 -22.7394 -22.1145 -22.1145 -22.0603 -22.0588 -14.2069 -14.2069 -5.7937 -5.7851 -5.7610 -5.7514 -5.7499 -5.7478 -1.2762 -1.2361 0.4538 0.4568 0.5186 0.5617 6.1146 6.1166 6.5886 6.5892 7.1997 7.2193 7.2928 7.2929 7.7971 7.8210 7.9907 7.9990 9.9002 9.9022 9.9187 9.9216 10.1521 10.1538 14.3490 14.3557 14.4738 14.4744 14.6135 14.6150 16.8126 16.8263 k =-0.5000 0.4985 0.2649 ( 2724 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7389 -22.1146 -22.1145 -22.0587 -22.0573 -14.2096 -14.2096 -5.8131 -5.8064 -5.7679 -5.7590 -5.7577 -5.7568 -1.2506 -1.2101 0.4820 0.4845 0.5576 0.6020 6.1190 6.1212 6.5884 6.5891 7.1620 7.1808 7.3418 7.3451 7.7902 7.8100 7.9805 7.9891 9.8654 9.8673 9.8889 9.8915 10.1492 10.1507 14.3262 14.3333 14.4483 14.4490 14.6037 14.6052 16.7600 16.7721 k =-0.5000 0.4985 0.2522 ( 2728 PWs) bands (ev): -45.9875 -45.9875 -22.7396 -22.7384 -22.1147 -22.1146 -22.0572 -22.0558 -14.2124 -14.2124 -5.8335 -5.8281 -5.7749 -5.7668 -5.7650 -5.7645 -1.2247 -1.1840 0.5103 0.5125 0.5977 0.6430 6.1227 6.1251 6.5882 6.5889 7.1112 7.1263 7.4035 7.4074 7.7850 7.8003 7.9719 7.9807 9.8309 9.8328 9.8600 9.8625 10.1463 10.1475 14.3041 14.3115 14.4230 14.4237 14.5938 14.5953 16.6998 16.7106 k =-0.5000 0.4985 0.2396 ( 2736 PWs) bands (ev): -45.9876 -45.9876 -22.7392 -22.7380 -22.1148 -22.1148 -22.0557 -22.0543 -14.2151 -14.2151 -5.8544 -5.8498 -5.7820 -5.7748 -5.7719 -5.7716 -1.1985 -1.1580 0.5388 0.5406 0.6388 0.6847 6.1256 6.1283 6.5880 6.5887 7.0563 7.0681 7.4638 7.4689 7.7814 7.7920 7.9665 7.9754 9.7970 9.7988 9.8323 9.8346 10.1434 10.1445 14.2827 14.2906 14.3980 14.3987 14.5839 14.5854 16.6331 16.6429 k =-0.5000 0.4985 0.2270 ( 2736 PWs) bands (ev): -45.9876 -45.9876 -22.7387 -22.7376 -22.1150 -22.1149 -22.0542 -22.0527 -14.2179 -14.2179 -5.8754 -5.8715 -5.7891 -5.7825 -5.7786 -5.7782 -1.1723 -1.1321 0.5671 0.5687 0.6806 0.7267 6.1280 6.1309 6.5879 6.5886 6.9993 7.0082 7.5182 7.5253 7.7792 7.7850 7.9671 7.9758 9.7640 9.7656 9.8059 9.8080 10.1406 10.1415 14.2623 14.2706 14.3734 14.3742 14.5740 14.5755 16.5607 16.5699 k =-0.5000 0.4985 0.2144 ( 2736 PWs) bands (ev): -45.9877 -45.9877 -22.7383 -22.7371 -22.1151 -22.1150 -22.0527 -22.0512 -14.2206 -14.2206 -5.8962 -5.8927 -5.7961 -5.7901 -5.7851 -5.7847 -1.1462 -1.1067 0.5953 0.5967 0.7228 0.7688 6.1299 6.1330 6.5877 6.5885 6.9411 6.9475 7.5630 7.5726 7.7773 7.7788 7.9777 7.9854 9.7320 9.7335 9.7808 9.7829 10.1378 10.1385 14.2430 14.2516 14.3493 14.3502 14.5642 14.5658 16.4837 16.4925 k =-0.5000 0.4985 0.2018 ( 2740 PWs) bands (ev): -45.9877 -45.9877 -22.7378 -22.7367 -22.1152 -22.1151 -22.0512 -22.0498 -14.2232 -14.2232 -5.9166 -5.9135 -5.8029 -5.7974 -5.7913 -5.7909 -1.1204 -1.0817 0.6230 0.6243 0.7652 0.8108 6.1314 6.1347 6.5876 6.5885 6.8825 6.8866 7.5955 7.6074 7.7724 7.7739 8.0020 8.0079 9.7012 9.7025 9.7572 9.7593 10.1351 10.1357 14.2249 14.2340 14.3259 14.3269 14.5546 14.5562 16.4034 16.4119 k =-0.5000 0.4985 0.1892 ( 2740 PWs) bands (ev): -45.9877 -45.9877 -22.7374 -22.7363 -22.1153 -22.1152 -22.0497 -22.0483 -14.2258 -14.2258 -5.9365 -5.9337 -5.8096 -5.8045 -5.7972 -5.7968 -1.0950 -1.0574 0.6503 0.6514 0.8075 0.8524 6.1324 6.1360 6.5875 6.5884 6.8240 6.8261 7.6160 7.6292 7.7644 7.7673 8.0411 8.0448 9.6717 9.6729 9.7352 9.7373 10.1325 10.1330 14.2082 14.2177 14.3033 14.3043 14.5452 14.5468 16.3206 16.3290 k =-0.5000 0.4985 0.1766 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7370 -22.7359 -22.1154 -22.1154 -22.0483 -22.0470 -14.2283 -14.2283 -5.9557 -5.9532 -5.8161 -5.8114 -5.8029 -5.8026 -1.0702 -1.0339 0.6768 0.6777 0.8495 0.8933 6.1332 6.1370 6.5873 6.5884 6.7661 6.7666 7.6270 7.6403 7.7539 7.7570 8.0925 8.0941 9.6436 9.6446 9.7147 9.7168 10.1300 10.1304 14.1930 14.2029 14.2816 14.2827 14.5361 14.5377 16.2365 16.2448 k =-0.5000 0.4985 0.1640 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7366 -22.7355 -22.1155 -22.1155 -22.0469 -22.0456 -14.2307 -14.2307 -5.9741 -5.9718 -5.8223 -5.8179 -5.8083 -5.8080 -1.0461 -1.0114 0.7024 0.7032 0.8907 0.9332 6.1336 6.1377 6.5870 6.5884 6.7085 6.7095 7.6316 7.6441 7.7410 7.7438 8.1520 8.1521 9.6171 9.6179 9.6958 9.6979 10.1275 10.1279 14.1795 14.1897 14.2609 14.2621 14.5273 14.5289 16.1520 16.1603 k =-0.5000 0.4985 0.1513 ( 2740 PWs) bands (ev): -45.9879 -45.9879 -22.7361 -22.7352 -22.1156 -22.1155 -22.0455 -22.0444 -14.2330 -14.2330 -5.9916 -5.9895 -5.8281 -5.8241 -5.8135 -5.8131 -1.0230 -0.9901 0.7269 0.7277 0.9310 0.9717 6.1338 6.1381 6.5863 6.5883 6.6525 6.6551 7.6321 7.6434 7.7264 7.7287 8.2150 8.2158 9.5921 9.5928 9.6785 9.6805 10.1253 10.1255 14.1676 14.1782 14.2414 14.2427 14.5190 14.5205 16.0682 16.0765 k =-0.5000 0.4985 0.1387 ( 2752 PWs) bands (ev): -45.9879 -45.9879 -22.7358 -22.7349 -22.1157 -22.1156 -22.0443 -22.0432 -14.2351 -14.2351 -6.0080 -6.0062 -5.8336 -5.8300 -5.8183 -5.8180 -1.0010 -0.9700 0.7502 0.7509 0.9699 1.0086 6.1337 6.1383 6.5815 6.5866 6.6006 6.6068 7.6302 7.6401 7.7107 7.7126 8.2797 8.2812 9.5689 9.5693 9.6627 9.6647 10.1231 10.1233 14.1575 14.1683 14.2230 14.2245 14.5111 14.5126 15.9860 15.9941 k =-0.5000 0.4985 0.1261 ( 2754 PWs) bands (ev): -45.9879 -45.9879 -22.7354 -22.7346 -22.1158 -22.1157 -22.0431 -22.0421 -14.2371 -14.2371 -6.0234 -6.0217 -5.8387 -5.8354 -5.8227 -5.8224 -0.9801 -0.9513 0.7722 0.7728 1.0072 1.0435 6.1334 6.1382 6.5466 6.5470 6.5895 6.5914 7.6268 7.6353 7.6947 7.6961 8.3442 8.3461 9.5473 9.5475 9.6483 9.6503 10.1211 10.1212 14.1491 14.1600 14.2060 14.2077 14.5036 14.5052 15.9063 15.9143 k =-0.5000 0.4985 0.1135 ( 2756 PWs) bands (ev): -45.9880 -45.9880 -22.7351 -22.7343 -22.1159 -22.1158 -22.0420 -22.0411 -14.2390 -14.2390 -6.0375 -6.0360 -5.8435 -5.8405 -5.8268 -5.8266 -0.9606 -0.9341 0.7926 0.7931 1.0424 1.0761 6.1329 6.1380 6.4999 6.5008 6.5893 6.5899 7.6226 7.6299 7.6787 7.6799 8.4068 8.4089 9.5275 9.5275 9.6355 9.6374 10.1192 10.1193 14.1423 14.1534 14.1904 14.1924 14.4968 14.4983 15.8301 15.8379 k =-0.5000 0.4985 0.1009 ( 2740 PWs) bands (ev): -45.9880 -45.9880 -22.7347 -22.7340 -22.1159 -22.1159 -22.0409 -22.0401 -14.2407 -14.2407 -6.0503 -6.0490 -5.8477 -5.8450 -5.8305 -5.8303 -0.9426 -0.9186 0.8112 0.8117 1.0754 1.1061 6.1323 6.1375 6.4565 6.4576 6.5894 6.5896 7.6181 7.6241 7.6634 7.6643 8.4663 8.4685 9.5093 9.5094 9.6240 9.6259 10.1175 10.1176 14.1371 14.1481 14.1765 14.1787 14.4905 14.4920 15.7584 15.7659 k =-0.5000 0.4985 0.0883 ( 2738 PWs) bands (ev): -45.9880 -45.9880 -22.7344 -22.7338 -22.1159 -22.1159 -22.0400 -22.0393 -14.2422 -14.2422 -6.0618 -6.0606 -5.8515 -5.8492 -5.8338 -5.8336 -0.9262 -0.9049 0.8281 0.8285 1.1056 1.1332 6.1315 6.1368 6.4173 6.4182 6.5895 6.5896 7.6135 7.6185 7.6491 7.6498 8.5216 8.5238 9.4929 9.4931 9.6139 9.6157 10.1160 10.1161 14.1331 14.1439 14.1645 14.1669 14.4849 14.4863 15.6921 15.6992 k =-0.5000 0.4985 0.0757 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7342 -22.7336 -22.1160 -22.1160 -22.0392 -22.0385 -14.2435 -14.2435 -6.0718 -6.0709 -5.8548 -5.8528 -5.8367 -5.8366 -0.9116 -0.8930 0.8430 0.8433 1.1329 1.1571 6.1306 6.1359 6.3827 6.3833 6.5896 6.5896 7.6092 7.6132 7.6361 7.6366 8.5718 8.5739 9.4783 9.4787 9.6052 9.6068 10.1147 10.1147 14.1300 14.1399 14.1550 14.1572 14.4800 14.4812 15.6321 15.6387 k =-0.5000 0.4985 0.0631 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7339 -22.7335 -22.1160 -22.1160 -22.0385 -22.0379 -14.2447 -14.2447 -6.0804 -6.0796 -5.8576 -5.8559 -5.8392 -5.8391 -0.8987 -0.8831 0.8558 0.8561 1.1569 1.1774 6.1296 6.1347 6.3531 6.3532 6.5897 6.5897 7.6052 7.6083 7.6246 7.6250 8.6160 8.6180 9.4658 9.4662 9.5978 9.5992 10.1136 10.1136 14.1271 14.1350 14.1489 14.1500 14.4758 14.4769 15.5795 15.5853 k =-0.5000 0.4985 0.0504 ( 2736 PWs) bands (ev): -45.9880 -45.9880 -22.7337 -22.7334 -22.1161 -22.1160 -22.0379 -22.0374 -14.2456 -14.2456 -6.0875 -6.0868 -5.8599 -5.8585 -5.8413 -5.8412 -0.8878 -0.8751 0.8664 0.8666 1.1774 1.1940 6.1286 6.1333 6.3285 6.3286 6.5898 6.5898 7.6017 7.6041 7.6150 7.6152 8.6534 8.6552 9.4552 9.4557 9.5918 9.5930 10.1126 10.1127 14.1239 14.1293 14.1457 14.1461 14.4723 14.4733 15.5352 15.5400 k =-0.5000 0.4985 0.0378 ( 2736 PWs) bands (ev): -45.9881 -45.9881 -22.7336 -22.7333 -22.1161 -22.1161 -22.0374 -22.0370 -14.2464 -14.2464 -6.0930 -6.0925 -5.8616 -5.8606 -5.8429 -5.8428 -0.8788 -0.8693 0.8748 0.8749 1.1940 1.2067 6.1278 6.1317 6.3092 6.3096 6.5899 6.5899 7.5990 7.6006 7.6074 7.6075 8.6835 8.6849 9.4469 9.4472 9.5871 9.5880 10.1119 10.1119 14.1207 14.1240 14.1437 14.1450 14.4696 14.4704 15.4998 15.5037 k =-0.5000 0.4985 0.0252 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7334 -22.7332 -22.1161 -22.1161 -22.0369 -22.0367 -14.2469 -14.2469 -6.0969 -6.0966 -5.8628 -5.8622 -5.8440 -5.8440 -0.8719 -0.8655 0.8808 0.8809 1.2067 1.2152 6.1273 6.1302 6.2955 6.2959 6.5900 6.5900 7.5969 7.5978 7.6019 7.6020 8.7055 8.7065 9.4408 9.4411 9.5838 9.5844 10.1114 10.1114 14.1179 14.1198 14.1432 14.1445 14.4677 14.4682 15.4743 15.4769 k =-0.5000 0.4985 0.0126 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7332 -22.1161 -22.1161 -22.0367 -22.0366 -14.2472 -14.2472 -6.0993 -6.0991 -5.8635 -5.8632 -5.8447 -5.8447 -0.8671 -0.8639 0.8844 0.8845 1.2152 1.2195 6.1273 6.1288 6.2873 6.2876 6.5900 6.5900 7.5955 7.5958 7.5988 7.5989 8.7191 8.7196 9.4371 9.4373 9.5819 9.5822 10.1111 10.1111 14.1162 14.1171 14.1434 14.1442 14.4667 14.4669 15.4590 15.4603 k =-0.5000 0.4985 0.0000 ( 2728 PWs) bands (ev): -45.9881 -45.9881 -22.7333 -22.7333 -22.1161 -22.1161 -22.0366 -22.0366 -14.2473 -14.2473 -6.1000 -6.1000 -5.8636 -5.8636 -5.8449 -5.8449 -0.8644 -0.8644 0.8857 0.8857 1.2195 1.2195 6.1278 6.1278 6.2848 6.2848 6.5900 6.5900 7.5950 7.5950 7.5979 7.5979 8.7238 8.7238 9.4360 9.4360 9.5813 9.5813 10.1110 10.1110 14.1159 14.1159 14.1438 14.1438 14.4664 14.4664 15.4543 15.4543 k = 0.0000 0.0000 0.5045 ( 2762 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7175 -22.0656 -22.0656 -22.0635 -22.0635 -14.3130 -14.3130 -6.7842 -6.7842 -5.8639 -5.8639 -5.4731 -5.4731 -0.7671 -0.7671 1.1396 1.1396 1.2672 1.2672 6.4501 6.4501 7.5924 7.5924 7.6153 7.6153 8.1232 8.1232 8.1632 8.1632 8.7037 8.7037 8.8101 8.8101 9.2105 9.2105 9.3402 9.3402 12.9222 12.9222 14.0199 14.0199 14.1614 14.1614 14.7578 14.7578 k =-0.0089 0.0089 0.5045 ( 2766 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7175 -22.0657 -22.0657 -22.0635 -22.0635 -14.3129 -14.3129 -6.7835 -6.7835 -5.8637 -5.8637 -5.4735 -5.4735 -0.7673 -0.7673 1.1395 1.1395 1.2665 1.2665 6.4497 6.4497 7.5927 7.5927 7.6151 7.6151 8.1169 8.1169 8.1596 8.1596 8.7080 8.7080 8.8156 8.8156 9.2079 9.2079 9.3388 9.3388 12.9241 12.9241 14.0200 14.0200 14.1614 14.1614 14.7609 14.7609 k =-0.0179 0.0178 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7175 -22.7175 -22.0657 -22.0657 -22.0636 -22.0636 -14.3126 -14.3126 -6.7812 -6.7812 -5.8633 -5.8633 -5.4745 -5.4745 -0.7679 -0.7679 1.1391 1.1391 1.2647 1.2647 6.4487 6.4487 7.5936 7.5936 7.6143 7.6143 8.0975 8.0975 8.1505 8.1505 8.7206 8.7206 8.8317 8.8317 9.2001 9.2001 9.3344 9.3344 12.9298 12.9298 14.0204 14.0204 14.1616 14.1616 14.7701 14.7701 k =-0.0268 0.0267 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7176 -22.7176 -22.0658 -22.0658 -22.0637 -22.0637 -14.3120 -14.3120 -6.7775 -6.7775 -5.8626 -5.8626 -5.4763 -5.4763 -0.7688 -0.7688 1.1384 1.1384 1.2616 1.2616 6.4470 6.4470 7.5950 7.5950 7.6131 7.6131 8.0655 8.0655 8.1382 8.1382 8.7402 8.7402 8.8567 8.8567 9.1872 9.1872 9.3271 9.3271 12.9393 12.9393 14.0212 14.0212 14.1620 14.1620 14.7854 14.7854 k =-0.0357 0.0356 0.5045 ( 2762 PWs) bands (ev): -45.9889 -45.9889 -22.7178 -22.7178 -22.0660 -22.0660 -22.0639 -22.0639 -14.3113 -14.3113 -6.7723 -6.7723 -5.8616 -5.8616 -5.4787 -5.4787 -0.7702 -0.7702 1.1372 1.1372 1.2575 1.2575 6.4446 6.4446 7.5968 7.5968 7.6114 7.6114 8.0232 8.0232 8.1238 8.1238 8.7656 8.7656 8.8887 8.8887 9.1692 9.1692 9.3173 9.3173 12.9525 12.9525 14.0222 14.0222 14.1625 14.1625 14.8066 14.8066 k =-0.0446 0.0445 0.5045 ( 2758 PWs) bands (ev): -45.9889 -45.9889 -22.7180 -22.7180 -22.0662 -22.0662 -22.0641 -22.0641 -14.3103 -14.3103 -6.7656 -6.7656 -5.8604 -5.8604 -5.4818 -5.4818 -0.7720 -0.7720 1.1354 1.1354 1.2524 1.2524 6.4416 6.4416 7.5986 7.5986 7.6096 7.6096 7.9734 7.9734 8.1077 8.1077 8.7957 8.7957 8.9256 8.9256 9.1465 9.1465 9.3049 9.3049 12.9693 12.9693 14.0236 14.0236 14.1632 14.1632 14.8336 14.8336 k =-0.0536 0.0534 0.5045 ( 2754 PWs) bands (ev): -45.9888 -45.9888 -22.7182 -22.7182 -22.0665 -22.0665 -22.0643 -22.0643 -14.3091 -14.3091 -6.7575 -6.7575 -5.8589 -5.8589 -5.4854 -5.4854 -0.7744 -0.7744 1.1328 1.1328 1.2466 1.2466 6.4380 6.4380 7.5995 7.5995 7.6083 7.6083 7.9184 7.9184 8.0905 8.0905 8.8296 8.8296 8.9656 8.9656 9.1190 9.1190 9.2905 9.2905 12.9897 12.9897 14.0255 14.0255 14.1642 14.1642 14.8662 14.8662 k =-0.0625 0.0623 0.5045 ( 2760 PWs) bands (ev): -45.9888 -45.9888 -22.7185 -22.7185 -22.0669 -22.0669 -22.0645 -22.0645 -14.3077 -14.3077 -6.7479 -6.7479 -5.8571 -5.8571 -5.4897 -5.4897 -0.7773 -0.7773 1.1290 1.1290 1.2402 1.2402 6.4339 6.4339 7.5981 7.5981 7.6089 7.6089 7.8599 7.8599 8.0725 8.0725 8.8668 8.8668 9.0073 9.0073 9.0872 9.0872 9.2743 9.2743 13.0133 13.0133 14.0278 14.0278 14.1655 14.1655 14.9042 14.9042 k =-0.0714 0.0712 0.5045 ( 2758 PWs) bands (ev): -45.9888 -45.9888 -22.7188 -22.7188 -22.0674 -22.0674 -22.0648 -22.0648 -14.3060 -14.3060 -6.7369 -6.7369 -5.8551 -5.8551 -5.4944 -5.4944 -0.7807 -0.7807 1.1238 1.1238 1.2336 1.2336 6.4294 6.4294 7.5946 7.5946 7.6109 7.6109 7.7993 7.7993 8.0543 8.0543 8.9065 8.9065 9.0463 9.0463 9.0548 9.0548 9.2567 9.2567 13.0402 13.0402 14.0306 14.0306 14.1671 14.1671 14.9473 14.9473 k =-0.0804 0.0801 0.5045 ( 2752 PWs) bands (ev): -45.9888 -45.9888 -22.7191 -22.7191 -22.0679 -22.0679 -22.0650 -22.0650 -14.3042 -14.3042 -6.7246 -6.7246 -5.8528 -5.8528 -5.4996 -5.4996 -0.7849 -0.7849 1.1168 1.1168 1.2270 1.2270 6.4244 6.4244 7.5899 7.5899 7.6132 7.6132 7.7377 7.7377 8.0362 8.0362 8.9477 8.9477 9.0117 9.0117 9.0930 9.0930 9.2381 9.2381 13.0701 13.0701 14.0341 14.0341 14.1691 14.1691 14.9954 14.9954 k =-0.0893 0.0890 0.5045 ( 2752 PWs) bands (ev): -45.9887 -45.9887 -22.7195 -22.7195 -22.0685 -22.0685 -22.0652 -22.0652 -14.3022 -14.3022 -6.7108 -6.7108 -5.8502 -5.8502 -5.5053 -5.5053 -0.7898 -0.7898 1.1077 1.1077 1.2207 1.2207 6.4190 6.4190 7.5840 7.5840 7.6151 7.6151 7.6761 7.6761 8.0185 8.0185 8.9627 8.9627 8.9970 8.9970 9.1351 9.1351 9.2192 9.2192 13.1028 13.1028 14.0382 14.0382 14.1715 14.1715 15.0480 15.0480 k =-0.0982 0.0979 0.5045 ( 2754 PWs) bands (ev): -45.9887 -45.9887 -22.7200 -22.7200 -22.0693 -22.0693 -22.0655 -22.0655 -14.3000 -14.3000 -6.6957 -6.6957 -5.8475 -5.8475 -5.5112 -5.5112 -0.7954 -0.7954 1.0964 1.0964 1.2147 1.2147 6.4134 6.4134 7.5762 7.5762 7.6133 7.6133 7.6192 7.6192 8.0014 8.0014 8.9183 8.9183 9.0399 9.0399 9.1756 9.1756 9.2012 9.2012 13.1382 13.1382 14.0430 14.0430 14.1745 14.1745 15.1049 15.1049 k =-0.1071 0.1068 0.5045 ( 2756 PWs) bands (ev): -45.9887 -45.9887 -22.7204 -22.7204 -22.0701 -22.0701 -22.0657 -22.0657 -14.2977 -14.2977 -6.6793 -6.6793 -5.8444 -5.8444 -5.5175 -5.5175 -0.8020 -0.8020 1.0829 1.0829 1.2089 1.2089 6.4076 6.4076 7.5485 7.5485 7.5762 7.5762 7.6170 7.6170 7.9851 7.9851 8.8687 8.8687 9.0862 9.0862 9.1799 9.1799 9.2192 9.2192 13.1760 13.1760 14.0486 14.0486 14.1781 14.1781 15.1657 15.1657 k =-0.1161 0.1157 0.5045 ( 2760 PWs) bands (ev): -45.9886 -45.9886 -22.7210 -22.7210 -22.0709 -22.0709 -22.0660 -22.0660 -14.2951 -14.2951 -6.6617 -6.6617 -5.8412 -5.8412 -5.5239 -5.5239 -0.8094 -0.8094 1.0671 1.0671 1.2032 1.2032 6.4015 6.4015 7.4926 7.4926 7.5656 7.5656 7.6158 7.6158 7.9697 7.9697 8.8164 8.8164 9.1336 9.1336 9.1629 9.1629 9.2584 9.2585 13.2159 13.2159 14.0550 14.0550 14.1824 14.1824 15.2303 15.2303 k =-0.1250 0.1246 0.5045 ( 2752 PWs) bands (ev): -45.9886 -45.9886 -22.7215 -22.7215 -22.0718 -22.0718 -22.0662 -22.0662 -14.2924 -14.2924 -6.6428 -6.6428 -5.8377 -5.8377 -5.5305 -5.5305 -0.8177 -0.8177 1.0493 1.0493 1.1973 1.1973 6.3954 6.3954 7.4367 7.4367 7.5564 7.5564 7.6131 7.6131 7.9553 7.9553 8.7619 8.7619 9.1471 9.1471 9.1818 9.1818 9.2971 9.2971 13.2579 13.2579 14.0622 14.0622 14.1873 14.1873 15.2981 15.2981 k =-0.1339 0.1335 0.5045 ( 2748 PWs) bands (ev): -45.9886 -45.9886 -22.7220 -22.7220 -22.0728 -22.0728 -22.0665 -22.0665 -14.2896 -14.2896 -6.6227 -6.6227 -5.8340 -5.8340 -5.5371 -5.5371 -0.8270 -0.8270 1.0297 1.0297 1.1909 1.1909 6.3893 6.3893 7.3833 7.3833 7.5467 7.5467 7.6084 7.6084 7.9419 7.9419 8.7057 8.7057 9.1332 9.1332 9.2304 9.2304 9.3348 9.3348 13.3017 13.3017 14.0703 14.0703 14.1931 14.1931 15.3690 15.3690 k =-0.1429 0.1424 0.5045 ( 2748 PWs) bands (ev): -45.9885 -45.9885 -22.7226 -22.7226 -22.0738 -22.0738 -22.0667 -22.0667 -14.2866 -14.2866 -6.6014 -6.6014 -5.8302 -5.8302 -5.5438 -5.5438 -0.8373 -0.8373 1.0084 1.0084 1.1838 1.1838 6.3831 6.3831 7.3329 7.3329 7.5360 7.5360 7.6015 7.6015 7.9295 7.9295 8.6483 8.6483 9.1220 9.1220 9.2791 9.2791 9.3715 9.3715 13.3470 13.3470 14.0793 14.0793 14.1997 14.1997 15.4425 15.4425 k =-0.1518 0.1513 0.5045 ( 2756 PWs) bands (ev): -45.9885 -45.9885 -22.7232 -22.7232 -22.0750 -22.0750 -22.0671 -22.0671 -14.2834 -14.2834 -6.5791 -6.5791 -5.8261 -5.8261 -5.5503 -5.5503 -0.8487 -0.8487 0.9857 0.9857 1.1756 1.1756 6.3771 6.3771 7.2862 7.2862 7.5243 7.5243 7.5920 7.5920 7.9181 7.9181 8.5902 8.5902 9.1137 9.1137 9.3278 9.3278 9.4072 9.4072 13.3936 13.3936 14.0892 14.0892 14.2071 14.2071 15.5183 15.5183 k =-0.1607 0.1602 0.5045 ( 2756 PWs) bands (ev): -45.9884 -45.9884 -22.7239 -22.7239 -22.0761 -22.0761 -22.0673 -22.0673 -14.2802 -14.2802 -6.5557 -6.5557 -5.8219 -5.8219 -5.5568 -5.5568 -0.8610 -0.8610 0.9616 0.9616 1.1661 1.1661 6.3711 6.3711 7.2434 7.2434 7.5113 7.5113 7.5797 7.5797 7.9076 7.9076 8.5319 8.5319 9.1088 9.1088 9.3761 9.3761 9.4420 9.4420 13.4414 13.4414 14.0999 14.0999 14.2156 14.2156 15.5962 15.5962 k =-0.1696 0.1691 0.5045 ( 2750 PWs) bands (ev): -45.9884 -45.9884 -22.7245 -22.7245 -22.0773 -22.0773 -22.0676 -22.0676 -14.2768 -14.2768 -6.5313 -6.5313 -5.8174 -5.8174 -5.5630 -5.5630 -0.8745 -0.8745 0.9364 0.9364 1.1550 1.1550 6.3652 6.3652 7.2050 7.2050 7.4969 7.4969 7.5647 7.5647 7.8981 7.8981 8.4741 8.4741 9.1077 9.1077 9.4237 9.4237 9.4762 9.4762 13.4900 13.4900 14.1116 14.1116 14.2249 14.2249 15.6757 15.6757 k =-0.1786 0.1780 0.5045 ( 2754 PWs) bands (ev): -45.9883 -45.9883 -22.7252 -22.7252 -22.0785 -22.0785 -22.0679 -22.0679 -14.2734 -14.2734 -6.5060 -6.5060 -5.8129 -5.8129 -5.5690 -5.5690 -0.8889 -0.8889 0.9101 0.9101 1.1421 1.1421 6.3594 6.3594 7.1712 7.1712 7.4810 7.4810 7.5467 7.5467 7.8893 7.8893 8.4173 8.4173 9.1104 9.1104 9.4700 9.4700 9.5103 9.5103 13.5394 13.5394 14.1241 14.1241 14.2353 14.2353 15.7566 15.7566 k =-0.1875 0.1869 0.5045 ( 2754 PWs) bands (ev): -45.9883 -45.9883 -22.7260 -22.7260 -22.0798 -22.0798 -22.0682 -22.0682 -14.2698 -14.2698 -6.4798 -6.4798 -5.8082 -5.8082 -5.5746 -5.5746 -0.9044 -0.9044 0.8830 0.8830 1.1273 1.1273 6.3538 6.3538 7.1424 7.1424 7.4632 7.4632 7.5257 7.5257 7.8812 7.8812 8.3622 8.3622 9.1172 9.1172 9.5138 9.5138 9.5453 9.5453 13.5892 13.5892 14.1375 14.1375 14.2467 14.2467 15.8386 15.8386 k =-0.1964 0.1958 0.5045 ( 2754 PWs) bands (ev): -45.9883 -45.9883 -22.7267 -22.7267 -22.0811 -22.0811 -22.0685 -22.0685 -14.2662 -14.2662 -6.4528 -6.4528 -5.8033 -5.8033 -5.5799 -5.5799 -0.9208 -0.9208 0.8552 0.8552 1.1105 1.1105 6.3483 6.3483 7.1186 7.1186 7.4433 7.4433 7.5019 7.5019 7.8736 7.8736 8.3094 8.3094 9.1280 9.1280 9.5533 9.5533 9.5830 9.5830 13.6393 13.6393 14.1517 14.1517 14.2592 14.2592 15.9212 15.9212 k =-0.2054 0.2047 0.5045 ( 2754 PWs) bands (ev): -45.9882 -45.9882 -22.7274 -22.7274 -22.0824 -22.0824 -22.0688 -22.0688 -14.2625 -14.2625 -6.4251 -6.4251 -5.7984 -5.7984 -5.5847 -5.5847 -0.9382 -0.9382 0.8266 0.8266 1.0915 1.0915 6.3429 6.3429 7.1000 7.1000 7.4211 7.4211 7.4755 7.4755 7.8664 7.8664 8.2597 8.2597 9.1429 9.1429 9.5879 9.5879 9.6239 9.6239 13.6896 13.6896 14.1667 14.1667 14.2726 14.2726 16.0041 16.0041 k =-0.2143 0.2136 0.5045 ( 2750 PWs) bands (ev): -45.9881 -45.9881 -22.7282 -22.7282 -22.0837 -22.0837 -22.0691 -22.0691 -14.2588 -14.2588 -6.3966 -6.3966 -5.7933 -5.7933 -5.5891 -5.5891 -0.9565 -0.9565 0.7976 0.7976 1.0702 1.0702 6.3377 6.3377 7.0867 7.0867 7.3964 7.3964 7.4465 7.4465 7.8594 7.8594 8.2138 8.2138 9.1616 9.1616 9.6194 9.6194 9.6662 9.6662 13.7398 13.7398 14.1824 14.1824 14.2871 14.2871 16.0871 16.0871 k =-0.2232 0.2225 0.5045 ( 2746 PWs) bands (ev): -45.9881 -45.9881 -22.7289 -22.7289 -22.0850 -22.0850 -22.0694 -22.0694 -14.2550 -14.2550 -6.3676 -6.3676 -5.7882 -5.7882 -5.5930 -5.5930 -0.9757 -0.9757 0.7682 0.7682 1.0467 1.0467 6.3324 6.3324 7.0787 7.0787 7.3689 7.3689 7.4154 7.4154 7.8526 7.8526 8.1722 8.1722 9.1840 9.1840 9.6491 9.6491 9.7085 9.7085 13.7898 13.7898 14.1989 14.1989 14.3025 14.3025 16.1697 16.1697 k =-0.2321 0.2314 0.5045 ( 2750 PWs) bands (ev): -45.9880 -45.9880 -22.7297 -22.7297 -22.0864 -22.0864 -22.0698 -22.0698 -14.2512 -14.2512 -6.3381 -6.3381 -5.7830 -5.7830 -5.5963 -5.5963 -0.9957 -0.9957 0.7384 0.7384 1.0210 1.0210 6.3271 6.3271 7.0759 7.0759 7.3386 7.3386 7.3822 7.3822 7.8457 7.8457 8.1354 8.1354 9.2099 9.2099 9.6777 9.6777 9.7501 9.7501 13.8394 13.8394 14.2160 14.2160 14.3189 14.3189 16.2515 16.2515 k =-0.2411 0.2403 0.5045 ( 2748 PWs) bands (ev): -45.9880 -45.9880 -22.7305 -22.7305 -22.0878 -22.0878 -22.0701 -22.0701 -14.2473 -14.2473 -6.3081 -6.3081 -5.7777 -5.7777 -5.5991 -5.5991 -1.0164 -1.0164 0.7085 0.7085 0.9931 0.9931 6.3218 6.3218 7.0781 7.0781 7.3056 7.3056 7.3474 7.3474 7.8387 7.8387 8.1039 8.1039 9.2389 9.2389 9.7057 9.7057 9.7906 9.7906 13.8885 13.8885 14.2337 14.2337 14.3361 14.3361 16.3322 16.3322 k =-0.2500 0.2492 0.5045 ( 2744 PWs) bands (ev): -45.9879 -45.9879 -22.7312 -22.7312 -22.0891 -22.0891 -22.0704 -22.0704 -14.2435 -14.2435 -6.2778 -6.2778 -5.7725 -5.7725 -5.6013 -5.6013 -1.0379 -1.0379 0.6784 0.6784 0.9631 0.9631 6.3163 6.3163 7.0851 7.0851 7.2701 7.2701 7.3112 7.3112 7.8317 7.8317 8.0777 8.0777 9.2709 9.2709 9.7330 9.7330 9.8299 9.8299 13.9370 13.9370 14.2519 14.2519 14.3542 14.3542 16.4114 16.4114 k =-0.2589 0.2582 0.5045 ( 2740 PWs) bands (ev): -45.9879 -45.9879 -22.7320 -22.7320 -22.0905 -22.0905 -22.0707 -22.0707 -14.2397 -14.2397 -6.2472 -6.2472 -5.7671 -5.7671 -5.6029 -5.6029 -1.0599 -1.0599 0.6484 0.6484 0.9311 0.9311 6.3105 6.3105 7.0964 7.0964 7.2327 7.2327 7.2739 7.2739 7.8248 7.8248 8.0565 8.0565 9.3055 9.3055 9.7599 9.7599 9.8677 9.8677 13.9848 13.9848 14.2706 14.2706 14.3731 14.3731 16.4885 16.4885 k =-0.2679 0.2671 0.5045 ( 2748 PWs) bands (ev): -45.9878 -45.9878 -22.7328 -22.7328 -22.0919 -22.0919 -22.0710 -22.0710 -14.2359 -14.2359 -6.2164 -6.2164 -5.7618 -5.7618 -5.6039 -5.6039 -1.0825 -1.0825 0.6184 0.6184 0.8974 0.8974 6.3042 6.3042 7.1106 7.1106 7.1948 7.1948 7.2359 7.2359 7.8182 7.8182 8.0401 8.0401 9.3424 9.3424 9.7865 9.7865 9.9041 9.9041 14.0316 14.0316 14.2897 14.2897 14.3926 14.3926 16.5631 16.5631 k =-0.2768 0.2760 0.5045 ( 2738 PWs) bands (ev): -45.9878 -45.9878 -22.7336 -22.7336 -22.0932 -22.0932 -22.0713 -22.0713 -14.2321 -14.2321 -6.1856 -6.1856 -5.7565 -5.7565 -5.6043 -5.6043 -1.1055 -1.1055 0.5887 0.5887 0.8620 0.8620 6.2975 6.2975 7.1200 7.1200 7.1646 7.1646 7.1974 7.1974 7.8123 7.8123 8.0278 8.0278 9.3812 9.3812 9.8128 9.8128 9.9390 9.9390 14.0775 14.0775 14.3091 14.3091 14.4127 14.4127 16.6346 16.6346 k =-0.2857 0.2849 0.5045 ( 2734 PWs) bands (ev): -45.9877 -45.9877 -22.7343 -22.7343 -22.0945 -22.0945 -22.0716 -22.0716 -14.2284 -14.2284 -6.1547 -6.1547 -5.7512 -5.7512 -5.6041 -5.6041 -1.1289 -1.1289 0.5593 0.5593 0.8253 0.8253 6.2901 6.2901 7.0972 7.0972 7.1586 7.1586 7.1694 7.1694 7.8074 7.8074 8.0190 8.0190 9.4218 9.4218 9.8389 9.8389 9.9724 9.9724 14.1224 14.1224 14.3288 14.3288 14.4332 14.4332 16.7024 16.7024 k =-0.2946 0.2938 0.5045 ( 2738 PWs) bands (ev): -45.9877 -45.9877 -22.7351 -22.7351 -22.0959 -22.0959 -22.0719 -22.0719 -14.2247 -14.2247 -6.1240 -6.1240 -5.7460 -5.7460 -5.6034 -5.6034 -1.1526 -1.1526 0.5303 0.5303 0.7875 0.7875 6.2818 6.2818 7.0582 7.0582 7.1200 7.1200 7.1933 7.1933 7.8037 7.8037 8.0132 8.0132 9.4637 9.4637 9.8649 9.8649 10.0041 10.0041 14.1660 14.1660 14.3486 14.3486 14.4542 14.4542 16.7659 16.7659 k =-0.3036 0.3027 0.5045 ( 2742 PWs) bands (ev): -45.9876 -45.9876 -22.7359 -22.7359 -22.0972 -22.0972 -22.0722 -22.0722 -14.2212 -14.2212 -6.0935 -6.0935 -5.7408 -5.7408 -5.6020 -5.6020 -1.1765 -1.1765 0.5017 0.5017 0.7487 0.7487 6.2726 6.2726 7.0173 7.0173 7.0816 7.0816 7.2223 7.2223 7.8016 7.8016 8.0097 8.0097 9.5067 9.5067 9.8907 9.8907 10.0342 10.0342 14.2085 14.2085 14.3685 14.3685 14.4754 14.4754 16.8244 16.8244 k =-0.3125 0.3116 0.5045 ( 2742 PWs) bands (ev): -45.9876 -45.9876 -22.7366 -22.7366 -22.0984 -22.0984 -22.0725 -22.0725 -14.2176 -14.2176 -6.0633 -6.0633 -5.7358 -5.7358 -5.6002 -5.6002 -1.2004 -1.2004 0.4737 0.4737 0.7094 0.7094 6.2623 6.2623 6.9769 6.9769 7.0437 7.0437 7.2540 7.2540 7.8013 7.8013 8.0082 8.0082 9.5506 9.5506 9.9165 9.9165 10.0628 10.0628 14.2497 14.2497 14.3884 14.3884 14.4967 14.4967 16.8772 16.8772 k =-0.3214 0.3205 0.5045 ( 2742 PWs) bands (ev): -45.9875 -45.9875 -22.7373 -22.7373 -22.0997 -22.0997 -22.0728 -22.0728 -14.2142 -14.2142 -6.0335 -6.0335 -5.7308 -5.7308 -5.5978 -5.5978 -1.2244 -1.2244 0.4464 0.4464 0.6696 0.6696 6.2507 6.2507 6.9378 6.9378 7.0064 7.0064 7.2875 7.2875 7.8028 7.8028 8.0081 8.0081 9.5949 9.5949 9.9423 9.9423 10.0897 10.0897 14.2894 14.2894 14.4082 14.4082 14.5180 14.5180 16.9234 16.9234 k =-0.3304 0.3294 0.5045 ( 2738 PWs) bands (ev): -45.9875 -45.9875 -22.7380 -22.7380 -22.1009 -22.1009 -22.0730 -22.0730 -14.2109 -14.2109 -6.0042 -6.0042 -5.7259 -5.7259 -5.5950 -5.5950 -1.2482 -1.2482 0.4199 0.4199 0.6299 0.6299 6.2377 6.2377 6.9007 6.9007 6.9700 6.9700 7.3217 7.3217 7.8066 7.8066 8.0093 8.0093 9.6394 9.6394 9.9680 9.9680 10.1151 10.1151 14.3278 14.3278 14.4278 14.4278 14.5393 14.5393 16.9625 16.9625 k =-0.3393 0.3383 0.5045 ( 2734 PWs) bands (ev): -45.9874 -45.9874 -22.7387 -22.7387 -22.1020 -22.1020 -22.0733 -22.0733 -14.2077 -14.2077 -5.9756 -5.9756 -5.7211 -5.7211 -5.5918 -5.5918 -1.2718 -1.2718 0.3941 0.3941 0.5903 0.5903 6.2233 6.2233 6.8661 6.8661 6.9347 6.9347 7.3561 7.3561 7.8126 7.8126 8.0114 8.0114 9.6838 9.6838 9.9937 9.9937 10.1389 10.1389 14.3646 14.3646 14.4471 14.4471 14.5603 14.5603 16.9939 16.9939 k =-0.3482 0.3472 0.5045 ( 2742 PWs) bands (ev): -45.9874 -45.9874 -22.7394 -22.7394 -22.1032 -22.1032 -22.0736 -22.0736 -14.2046 -14.2046 -5.9478 -5.9478 -5.7165 -5.7165 -5.5882 -5.5882 -1.2951 -1.2951 0.3693 0.3693 0.5512 0.5512 6.2074 6.2074 6.8341 6.8341 6.9005 6.9005 7.3898 7.3898 7.8211 7.8211 8.0142 8.0142 9.7279 9.7279 10.0193 10.0193 10.1611 10.1611 14.3999 14.3999 14.4660 14.4660 14.5809 14.5809 17.0174 17.0174 k =-0.3571 0.3561 0.5045 ( 2742 PWs) bands (ev): -45.9873 -45.9873 -22.7400 -22.7400 -22.1043 -22.1043 -22.0738 -22.0738 -14.2016 -14.2016 -5.9208 -5.9208 -5.7120 -5.7120 -5.5844 -5.5844 -1.3179 -1.3179 0.3454 0.3454 0.5129 0.5129 6.1902 6.1902 6.8052 6.8052 6.8676 6.8676 7.4221 7.4221 7.8323 7.8323 8.0176 8.0176 9.7713 9.7713 10.0448 10.0448 10.1818 10.1818 14.4336 14.4336 14.4846 14.4846 14.6011 14.6011 17.0329 17.0329 k =-0.3661 0.3650 0.5045 ( 2748 PWs) bands (ev): -45.9873 -45.9873 -22.7406 -22.7406 -22.1053 -22.1053 -22.0741 -22.0741 -14.1987 -14.1987 -5.8948 -5.8948 -5.7077 -5.7077 -5.5802 -5.5802 -1.3402 -1.3402 0.3226 0.3226 0.4756 0.4756 6.1718 6.1718 6.7792 6.7792 6.8361 6.8361 7.4524 7.4524 7.8461 7.8461 8.0215 8.0215 9.8139 9.8139 10.0701 10.0701 10.2011 10.2011 14.4655 14.4655 14.5026 14.5026 14.6207 14.6207 17.0409 17.0409 k =-0.3750 0.3739 0.5045 ( 2748 PWs) bands (ev): -45.9873 -45.9873 -22.7412 -22.7412 -22.1063 -22.1063 -22.0743 -22.0743 -14.1961 -14.1961 -5.8698 -5.8698 -5.7036 -5.7036 -5.5759 -5.5759 -1.3618 -1.3618 0.3008 0.3008 0.4395 0.4395 6.1525 6.1525 6.7562 6.7562 6.8062 6.8062 7.4800 7.4800 7.8627 7.8627 8.0255 8.0255 9.8552 9.8552 10.0951 10.0951 10.2189 10.2189 14.4955 14.4955 14.5202 14.5202 14.6395 14.6395 17.0421 17.0421 k =-0.3839 0.3828 0.5045 ( 2744 PWs) bands (ev): -45.9872 -45.9872 -22.7417 -22.7417 -22.1072 -22.1072 -22.0745 -22.0745 -14.1935 -14.1935 -5.8461 -5.8461 -5.6997 -5.6997 -5.5715 -5.5715 -1.3826 -1.3826 0.2802 0.2802 0.4050 0.4050 6.1325 6.1325 6.7361 6.7361 6.7779 6.7779 7.5047 7.5047 7.8817 7.8817 8.0298 8.0298 9.8951 9.8951 10.1198 10.1198 10.2352 10.2352 14.5232 14.5232 14.5377 14.5377 14.6576 14.6576 17.0374 17.0374 k =-0.3929 0.3917 0.5045 ( 2744 PWs) bands (ev): -45.9872 -45.9872 -22.7422 -22.7422 -22.1081 -22.1081 -22.0747 -22.0747 -14.1911 -14.1911 -5.8236 -5.8236 -5.6960 -5.6960 -5.5670 -5.5670 -1.4025 -1.4025 0.2608 0.2608 0.3722 0.3722 6.1122 6.1122 6.7187 6.7187 6.7514 6.7514 7.5263 7.5263 7.9028 7.9028 8.0341 8.0341 9.9333 9.9333 10.1440 10.1440 10.2502 10.2502 14.5466 14.5466 14.5568 14.5568 14.6748 14.6748 17.0280 17.0280 k =-0.4018 0.4006 0.5045 ( 2744 PWs) bands (ev): -45.9872 -45.9872 -22.7427 -22.7427 -22.1089 -22.1089 -22.0749 -22.0749 -14.1889 -14.1889 -5.8026 -5.8026 -5.6924 -5.6924 -5.5626 -5.5626 -1.4213 -1.4213 0.2426 0.2426 0.3414 0.3414 6.0919 6.0919 6.7038 6.7038 6.7267 6.7267 7.5449 7.5449 7.9254 7.9254 8.0384 8.0384 9.9696 9.9696 10.1674 10.1674 10.2639 10.2639 14.5640 14.5640 14.5792 14.5792 14.6909 14.6909 17.0149 17.0149 k =-0.4107 0.4095 0.5045 ( 2744 PWs) bands (ev): -45.9871 -45.9871 -22.7432 -22.7432 -22.1097 -22.1097 -22.0751 -22.0751 -14.1869 -14.1869 -5.7831 -5.7831 -5.6891 -5.6891 -5.5582 -5.5582 -1.4390 -1.4390 0.2257 0.2257 0.3128 0.3128 6.0721 6.0721 6.6910 6.6910 6.7040 6.7040 7.5606 7.5606 7.9488 7.9488 8.0427 8.0427 10.0036 10.0036 10.1900 10.1900 10.2763 10.2763 14.5785 14.5785 14.6015 14.6015 14.7060 14.7060 16.9995 16.9995 k =-0.4196 0.4184 0.5045 ( 2744 PWs) bands (ev): -45.9871 -45.9871 -22.7436 -22.7436 -22.1103 -22.1103 -22.0752 -22.0752 -14.1850 -14.1850 -5.7652 -5.7652 -5.6860 -5.6860 -5.5540 -5.5540 -1.4554 -1.4554 0.2101 0.2101 0.2866 0.2866 6.0531 6.0531 6.6802 6.6802 6.6833 6.6833 7.5738 7.5738 7.9723 7.9723 8.0467 8.0467 10.0352 10.0352 10.2114 10.2114 10.2874 10.2874 14.5915 14.5915 14.6224 14.6224 14.7198 14.7198 16.9826 16.9826 k =-0.4286 0.4273 0.5045 ( 2744 PWs) bands (ev): -45.9871 -45.9871 -22.7439 -22.7439 -22.1110 -22.1110 -22.0753 -22.0753 -14.1833 -14.1833 -5.7490 -5.7490 -5.6832 -5.6832 -5.5500 -5.5500 -1.4704 -1.4704 0.1957 0.1957 0.2629 0.2629 6.0352 6.0352 6.6643 6.6643 6.6714 6.6714 7.5849 7.5849 7.9952 7.9952 8.0505 8.0505 10.0642 10.0642 10.2315 10.2315 10.2972 10.2972 14.6032 14.6032 14.6413 14.6413 14.7324 14.7324 16.9652 16.9652 k =-0.4375 0.4362 0.5045 ( 2756 PWs) bands (ev): -45.9871 -45.9871 -22.7443 -22.7443 -22.1116 -22.1116 -22.0755 -22.0755 -14.1818 -14.1818 -5.7347 -5.7347 -5.6805 -5.6805 -5.5463 -5.5463 -1.4839 -1.4839 0.1827 0.1827 0.2420 0.2420 6.0187 6.0187 6.6476 6.6476 6.6639 6.6639 7.5940 7.5940 8.0168 8.0168 8.0541 8.0541 10.0903 10.0903 10.2500 10.2500 10.3059 10.3059 14.6136 14.6136 14.6583 14.6583 14.7437 14.7437 16.9482 16.9482 k =-0.4464 0.4451 0.5045 ( 2772 PWs) bands (ev): -45.9871 -45.9871 -22.7447 -22.7447 -22.1121 -22.1121 -22.0757 -22.0757 -14.1805 -14.1805 -5.7223 -5.7223 -5.6780 -5.6780 -5.5430 -5.5430 -1.4959 -1.4959 0.1710 0.1710 0.2239 0.2239 6.0039 6.0039 6.6331 6.6331 6.6578 6.6578 7.6014 7.6014 8.0364 8.0364 8.0574 8.0574 10.1133 10.1133 10.2667 10.2667 10.3134 10.3134 14.6227 14.6227 14.6731 14.6731 14.7536 14.7536 16.9321 16.9321 k =-0.4554 0.4540 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7450 -22.7450 -22.1126 -22.1126 -22.0758 -22.0758 -14.1794 -14.1794 -5.7119 -5.7119 -5.6756 -5.6756 -5.5400 -5.5400 -1.5061 -1.5061 0.1607 0.1607 0.2088 0.2088 5.9910 5.9910 6.6207 6.6207 6.6529 6.6529 7.6074 7.6074 8.0529 8.0529 8.0612 8.0612 10.1330 10.1330 10.2812 10.2812 10.3198 10.3198 14.6305 14.6305 14.6858 14.6858 14.7621 14.7621 16.9176 16.9176 k =-0.4643 0.4629 0.5045 ( 2780 PWs) bands (ev): -45.9870 -45.9870 -22.7451 -22.7451 -22.1129 -22.1129 -22.0759 -22.0759 -14.1785 -14.1785 -5.7036 -5.7036 -5.6734 -5.6734 -5.5376 -5.5376 -1.5146 -1.5146 0.1520 0.1520 0.1966 0.1966 5.9802 5.9802 6.6105 6.6105 6.6490 6.6490 7.6121 7.6121 8.0607 8.0607 8.0706 8.0706 10.1494 10.1494 10.2934 10.2934 10.3251 10.3251 14.6369 14.6369 14.6962 14.6962 14.7691 14.7691 16.9052 16.9052 k =-0.4732 0.4718 0.5045 ( 2788 PWs) bands (ev): -45.9870 -45.9870 -22.7453 -22.7453 -22.1132 -22.1132 -22.0760 -22.0760 -14.1778 -14.1778 -5.6975 -5.6975 -5.6713 -5.6713 -5.5356 -5.5356 -1.5213 -1.5213 0.1449 0.1449 0.1872 0.1872 5.9716 5.9716 6.6026 6.6026 6.6461 6.6461 7.6156 7.6156 8.0631 8.0631 8.0819 8.0819 10.1623 10.1623 10.3029 10.3029 10.3292 10.3292 14.6420 14.6420 14.7044 14.7044 14.7746 14.7746 16.8951 16.8951 k =-0.4821 0.4807 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7454 -22.7454 -22.1134 -22.1134 -22.0760 -22.0760 -14.1773 -14.1773 -5.6933 -5.6933 -5.6696 -5.6696 -5.5342 -5.5342 -1.5261 -1.5261 0.1397 0.1397 0.1807 0.1807 5.9655 5.9655 6.5969 6.5969 6.6441 6.6441 7.6181 7.6181 8.0646 8.0646 8.0903 8.0903 10.1716 10.1716 10.3098 10.3098 10.3323 10.3323 14.6456 14.6456 14.7103 14.7103 14.7785 14.7785 16.8877 16.8877 k =-0.4911 0.4896 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0760 -22.0760 -14.1770 -14.1770 -5.6909 -5.6909 -5.6684 -5.6684 -5.5333 -5.5333 -1.5291 -1.5291 0.1365 0.1365 0.1768 0.1768 5.9617 5.9617 6.5935 6.5935 6.6429 6.6429 7.6196 7.6196 8.0654 8.0654 8.0955 8.0955 10.1772 10.1772 10.3140 10.3140 10.3342 10.3342 14.6478 14.6478 14.7138 14.7138 14.7808 14.7808 16.8832 16.8832 k =-0.5000 0.4985 0.5045 ( 2784 PWs) bands (ev): -45.9870 -45.9870 -22.7455 -22.7455 -22.1135 -22.1135 -22.0761 -22.0761 -14.1769 -14.1769 -5.6901 -5.6901 -5.6680 -5.6680 -5.5330 -5.5330 -1.5300 -1.5300 0.1354 0.1354 0.1756 0.1756 5.9605 5.9605 6.5923 6.5923 6.6425 6.6425 7.6200 7.6200 8.0657 8.0657 8.0973 8.0973 10.1791 10.1791 10.3153 10.3153 10.3349 10.3349 14.6485 14.6485 14.7150 14.7150 14.7816 14.7816 16.8817 16.8817 Writing output data file BaTiO3.save init_run : 4.49s CPU 13.21s WALL ( 1 calls) electrons : 769.75s CPU 779.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 769.71s CPU 779.61s WALL ( 1 calls) v_of_rho : 0.21s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.21s CPU 0.59s WALL ( 1 calls) newd : 0.50s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 476 calls) cegterg : 735.04s CPU 741.45s WALL ( 1303 calls) Called by sum_band: Called by *egterg: h_psi : 271.52s CPU 283.72s WALL ( 22656 calls) s_psi : 30.98s CPU 31.69s WALL ( 22656 calls) g_psi : 0.63s CPU 0.71s WALL ( 20877 calls) cdiaghg : 321.78s CPU 316.97s WALL ( 21353 calls) cegterg:over : 64.09s CPU 60.51s WALL ( 20877 calls) cegterg:upda : 7.73s CPU 12.15s WALL ( 20877 calls) cegterg:last : 8.03s CPU 9.23s WALL ( 3226 calls) Called by h_psi: h_psi:vloc : 209.67s CPU 220.32s WALL ( 22656 calls) h_psi:vnl : 61.56s CPU 62.67s WALL ( 22656 calls) add_vuspsi : 18.51s CPU 23.19s WALL ( 22656 calls) General routines calbec : 42.98s CPU 39.35s WALL ( 22656 calls) fft : 0.40s CPU 1.17s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 195.14s CPU 201.96s WALL ( 1799500 calls) interpolate : 0.02s CPU 0.12s WALL ( 4 calls) davcio : 0.05s CPU 1.71s WALL ( 952 calls) Parallel routines fft_scatter : 139.88s CPU 143.50s WALL ( 1799523 calls) PWSCF : 13m57.34s CPU 15m32.70s WALL This run was terminated on: 16:20:50 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=