Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 2:27 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 2106 449 76 Max 55 20 7 2115 468 80 Sum 2625 949 293 101277 22051 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5933 a.u. unit-cell volume = 434.4599 (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)= 7.593313 celldm(2)= 1.000000 celldm(3)= 0.992333 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.002640 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.002640 0.999997 0.000000 ) a(3) = ( 0.000000 0.000000 0.992333 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.002640 -0.000000 ) b(2) = ( 0.000000 1.000003 -0.000000 ) b(3) = ( 0.000000 0.000000 1.007726 ) 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) = ( 0.0089051 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178101 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267152 0.0267858 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356203 0.0357144 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445253 0.0446430 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0534304 0.0535716 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0623355 0.0625002 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712405 0.0714288 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0801456 0.0803574 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890506 0.0892860 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979557 0.0982146 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068608 0.1071432 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1157659 0.1160718 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246709 0.1250004 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1335760 0.1339290 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1424810 0.1428576 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1513861 0.1517862 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1602912 0.1607148 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1691962 0.1696434 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1781013 0.1785721 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1870064 0.1875007 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1959114 0.1964293 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2048165 0.2053579 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2137216 0.2142865 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2226266 0.2232151 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2315317 0.2321437 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2404368 0.2410723 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2493418 0.2500009 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2582469 0.2589295 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2671520 0.2678581 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2760570 0.2767867 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2849621 0.2857153 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2938672 0.2946439 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3027722 0.3035725 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3116773 0.3125011 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3205824 0.3214297 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3294874 0.3303583 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3383925 0.3392869 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3472976 0.3482155 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3562026 0.3571441 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3651077 0.3660727 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3740127 0.3750013 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3829178 0.3839299 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3918229 0.3928585 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4007279 0.4017871 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4096330 0.4107157 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4185381 0.4196443 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4274431 0.4285729 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4363482 0.4375015 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4452533 0.4464301 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4541583 0.4553587 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4630634 0.4642873 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4719685 0.4732159 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4808735 0.4821445 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4897786 0.4910731 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4986837 0.5000017 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4986837 0.5000017 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4858969 0.5000017 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4731101 0.5000017 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4603234 0.5000017 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4475366 0.5000017 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4347499 0.5000017 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4219631 0.5000017 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4091763 0.5000017 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3963896 0.5000017 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3836028 0.5000017 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3708161 0.5000017 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3580293 0.5000017 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3452425 0.5000017 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3324558 0.5000017 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3196690 0.5000017 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3068823 0.5000017 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2940955 0.5000017 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2813087 0.5000017 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2685220 0.5000017 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2557352 0.5000017 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2429485 0.5000017 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2301617 0.5000017 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2173749 0.5000017 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2045882 0.5000017 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1918014 0.5000017 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1790146 0.5000017 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1662279 0.5000017 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1534411 0.5000017 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406544 0.5000017 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1278676 0.5000017 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1150808 0.5000017 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022941 0.5000017 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0895073 0.5000017 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0767206 0.5000017 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0639338 0.5000017 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511470 0.5000017 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383603 0.5000017 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255735 0.5000017 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127868 0.5000017 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000017 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000017 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000017 0.0125966), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000017 0.0251932), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000017 0.0377897), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000017 0.0503863), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000017 0.0629829), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000017 0.0755795), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000017 0.0881761), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000017 0.1007726), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000017 0.1133692), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000017 0.1259658), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000017 0.1385624), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000017 0.1511590), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000017 0.1637556), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000017 0.1763521), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000017 0.1889487), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000017 0.2015453), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000017 0.2141419), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000017 0.2267385), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000017 0.2393350), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000017 0.2519316), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000017 0.2645282), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000017 0.2771248), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000017 0.2897214), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000017 0.3023179), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000017 0.3149145), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000017 0.3275111), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000017 0.3401077), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000017 0.3527043), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000017 0.3653008), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000017 0.3778974), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000017 0.3904940), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000017 0.4030906), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000017 0.4156872), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000017 0.4282837), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000017 0.4408803), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000017 0.4534769), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000017 0.4660735), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000017 0.4786701), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000017 0.4912667), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000017 0.5038632), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000017 0.5038632), wk = 0.0021008 k( 140) = ( 0.0127868 0.5000017 0.5038632), wk = 0.0021008 k( 141) = ( 0.0255735 0.5000017 0.5038632), wk = 0.0021008 k( 142) = ( 0.0383603 0.5000017 0.5038632), wk = 0.0021008 k( 143) = ( 0.0511470 0.5000017 0.5038632), wk = 0.0021008 k( 144) = ( 0.0639338 0.5000017 0.5038632), wk = 0.0021008 k( 145) = ( 0.0767206 0.5000017 0.5038632), wk = 0.0021008 k( 146) = ( 0.0895073 0.5000017 0.5038632), wk = 0.0021008 k( 147) = ( 0.1022941 0.5000017 0.5038632), wk = 0.0021008 k( 148) = ( 0.1150808 0.5000017 0.5038632), wk = 0.0021008 k( 149) = ( 0.1278676 0.5000017 0.5038632), wk = 0.0021008 k( 150) = ( 0.1406544 0.5000017 0.5038632), wk = 0.0021008 k( 151) = ( 0.1534411 0.5000017 0.5038632), wk = 0.0021008 k( 152) = ( 0.1662279 0.5000017 0.5038632), wk = 0.0021008 k( 153) = ( 0.1790146 0.5000017 0.5038632), wk = 0.0021008 k( 154) = ( 0.1918014 0.5000017 0.5038632), wk = 0.0021008 k( 155) = ( 0.2045882 0.5000017 0.5038632), wk = 0.0021008 k( 156) = ( 0.2173749 0.5000017 0.5038632), wk = 0.0021008 k( 157) = ( 0.2301617 0.5000017 0.5038632), wk = 0.0021008 k( 158) = ( 0.2429485 0.5000017 0.5038632), wk = 0.0021008 k( 159) = ( 0.2557352 0.5000017 0.5038632), wk = 0.0021008 k( 160) = ( 0.2685220 0.5000017 0.5038632), wk = 0.0021008 k( 161) = ( 0.2813087 0.5000017 0.5038632), wk = 0.0021008 k( 162) = ( 0.2940955 0.5000017 0.5038632), wk = 0.0021008 k( 163) = ( 0.3068823 0.5000017 0.5038632), wk = 0.0021008 k( 164) = ( 0.3196690 0.5000017 0.5038632), wk = 0.0021008 k( 165) = ( 0.3324558 0.5000017 0.5038632), wk = 0.0021008 k( 166) = ( 0.3452425 0.5000017 0.5038632), wk = 0.0021008 k( 167) = ( 0.3580293 0.5000017 0.5038632), wk = 0.0021008 k( 168) = ( 0.3708161 0.5000017 0.5038632), wk = 0.0021008 k( 169) = ( 0.3836028 0.5000017 0.5038632), wk = 0.0021008 k( 170) = ( 0.3963896 0.5000017 0.5038632), wk = 0.0021008 k( 171) = ( 0.4091763 0.5000017 0.5038632), wk = 0.0021008 k( 172) = ( 0.4219631 0.5000017 0.5038632), wk = 0.0021008 k( 173) = ( 0.4347499 0.5000017 0.5038632), wk = 0.0021008 k( 174) = ( 0.4475366 0.5000017 0.5038632), wk = 0.0021008 k( 175) = ( 0.4603234 0.5000017 0.5038632), wk = 0.0021008 k( 176) = ( 0.4731101 0.5000017 0.5038632), wk = 0.0021008 k( 177) = ( 0.4858969 0.5000017 0.5038632), wk = 0.0021008 k( 178) = ( 0.4986837 0.5000017 0.5038632), wk = 0.0021008 k( 179) = ( 0.4986837 0.5000017 0.5038632), wk = 0.0021008 k( 180) = ( 0.4897786 0.4910731 0.5038632), wk = 0.0021008 k( 181) = ( 0.4808735 0.4821445 0.5038632), wk = 0.0021008 k( 182) = ( 0.4719685 0.4732159 0.5038632), wk = 0.0021008 k( 183) = ( 0.4630634 0.4642873 0.5038632), wk = 0.0021008 k( 184) = ( 0.4541583 0.4553587 0.5038632), wk = 0.0021008 k( 185) = ( 0.4452533 0.4464301 0.5038632), wk = 0.0021008 k( 186) = ( 0.4363482 0.4375015 0.5038632), wk = 0.0021008 k( 187) = ( 0.4274431 0.4285729 0.5038632), wk = 0.0021008 k( 188) = ( 0.4185381 0.4196443 0.5038632), wk = 0.0021008 k( 189) = ( 0.4096330 0.4107157 0.5038632), wk = 0.0021008 k( 190) = ( 0.4007279 0.4017871 0.5038632), wk = 0.0021008 k( 191) = ( 0.3918229 0.3928585 0.5038632), wk = 0.0021008 k( 192) = ( 0.3829178 0.3839299 0.5038632), wk = 0.0021008 k( 193) = ( 0.3740127 0.3750013 0.5038632), wk = 0.0021008 k( 194) = ( 0.3651077 0.3660727 0.5038632), wk = 0.0021008 k( 195) = ( 0.3562026 0.3571441 0.5038632), wk = 0.0021008 k( 196) = ( 0.3472976 0.3482155 0.5038632), wk = 0.0021008 k( 197) = ( 0.3383925 0.3392869 0.5038632), wk = 0.0021008 k( 198) = ( 0.3294874 0.3303583 0.5038632), wk = 0.0021008 k( 199) = ( 0.3205824 0.3214297 0.5038632), wk = 0.0021008 k( 200) = ( 0.3116773 0.3125011 0.5038632), wk = 0.0021008 k( 201) = ( 0.3027722 0.3035725 0.5038632), wk = 0.0021008 k( 202) = ( 0.2938672 0.2946439 0.5038632), wk = 0.0021008 k( 203) = ( 0.2849621 0.2857153 0.5038632), wk = 0.0021008 k( 204) = ( 0.2760570 0.2767867 0.5038632), wk = 0.0021008 k( 205) = ( 0.2671520 0.2678581 0.5038632), wk = 0.0021008 k( 206) = ( 0.2582469 0.2589295 0.5038632), wk = 0.0021008 k( 207) = ( 0.2493418 0.2500009 0.5038632), wk = 0.0021008 k( 208) = ( 0.2404368 0.2410723 0.5038632), wk = 0.0021008 k( 209) = ( 0.2315317 0.2321437 0.5038632), wk = 0.0021008 k( 210) = ( 0.2226266 0.2232151 0.5038632), wk = 0.0021008 k( 211) = ( 0.2137216 0.2142865 0.5038632), wk = 0.0021008 k( 212) = ( 0.2048165 0.2053579 0.5038632), wk = 0.0021008 k( 213) = ( 0.1959114 0.1964293 0.5038632), wk = 0.0021008 k( 214) = ( 0.1870064 0.1875007 0.5038632), wk = 0.0021008 k( 215) = ( 0.1781013 0.1785721 0.5038632), wk = 0.0021008 k( 216) = ( 0.1691962 0.1696434 0.5038632), wk = 0.0021008 k( 217) = ( 0.1602912 0.1607148 0.5038632), wk = 0.0021008 k( 218) = ( 0.1513861 0.1517862 0.5038632), wk = 0.0021008 k( 219) = ( 0.1424810 0.1428576 0.5038632), wk = 0.0021008 k( 220) = ( 0.1335760 0.1339290 0.5038632), wk = 0.0021008 k( 221) = ( 0.1246709 0.1250004 0.5038632), wk = 0.0021008 k( 222) = ( 0.1157659 0.1160718 0.5038632), wk = 0.0021008 k( 223) = ( 0.1068608 0.1071432 0.5038632), wk = 0.0021008 k( 224) = ( 0.0979557 0.0982146 0.5038632), wk = 0.0021008 k( 225) = ( 0.0890506 0.0892860 0.5038632), wk = 0.0021008 k( 226) = ( 0.0801456 0.0803574 0.5038632), wk = 0.0021008 k( 227) = ( 0.0712405 0.0714288 0.5038632), wk = 0.0021008 k( 228) = ( 0.0623355 0.0625002 0.5038632), wk = 0.0021008 k( 229) = ( 0.0534304 0.0535716 0.5038632), wk = 0.0021008 k( 230) = ( 0.0445253 0.0446430 0.5038632), wk = 0.0021008 k( 231) = ( 0.0356203 0.0357144 0.5038632), wk = 0.0021008 k( 232) = ( 0.0267152 0.0267858 0.5038632), wk = 0.0021008 k( 233) = ( 0.0178101 0.0178572 0.5038632), wk = 0.0021008 k( 234) = ( 0.0089051 0.0089286 0.5038632), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5038632), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5038632), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4912667), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4786701), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4660735), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4534769), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4408803), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4282837), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4156872), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4030906), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3904940), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3778974), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3653008), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3527043), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3401077), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3275111), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3149145), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3023179), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2897214), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2771248), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2645282), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2519316), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2393350), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2267385), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2141419), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2015453), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1889487), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1763521), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1637556), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1511590), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1385624), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1259658), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1133692), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1007726), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0881761), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0755795), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0629829), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0503863), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0377897), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0251932), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125966), 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 0.0089050 -0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178101 -0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267151 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0356201 -0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0445252 -0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0534302 -0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0623352 -0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0712403 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0801453 -0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0890503 -0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0979554 -0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1068604 -0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1157654 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1246705 -0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1335755 -0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1424805 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1513856 -0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1602906 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1691957 -0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1781007 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1870057 -0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1959108 -0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2048158 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2137208 -0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2226259 -0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2315309 -0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2404359 -0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2493410 -0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2582460 -0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2671510 -0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2760561 -0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2849611 -0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2938661 -0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3027712 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3116762 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3205812 -0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3294863 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3383913 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3472963 -0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3562014 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3651064 -0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3740114 -0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3829165 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3918215 -0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4007265 -0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4096316 -0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4185366 -0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4274416 -0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4363467 -0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4452517 -0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4541567 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4630618 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4719668 -0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4808719 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4897769 -0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4986819 -0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4986819 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4986837 0.5000017 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4986837 0.5000017 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4986837 0.5000017 0.0125966), wk = 0.0021008 k( 338) = ( -0.4986837 0.5000017 0.0251932), wk = 0.0021008 k( 339) = ( -0.4986837 0.5000017 0.0377897), wk = 0.0021008 k( 340) = ( -0.4986837 0.5000017 0.0503863), wk = 0.0021008 k( 341) = ( -0.4986837 0.5000017 0.0629829), wk = 0.0021008 k( 342) = ( -0.4986837 0.5000017 0.0755795), wk = 0.0021008 k( 343) = ( -0.4986837 0.5000017 0.0881761), wk = 0.0021008 k( 344) = ( -0.4986837 0.5000017 0.1007726), wk = 0.0021008 k( 345) = ( -0.4986837 0.5000017 0.1133692), wk = 0.0021008 k( 346) = ( -0.4986837 0.5000017 0.1259658), wk = 0.0021008 k( 347) = ( -0.4986837 0.5000017 0.1385624), wk = 0.0021008 k( 348) = ( -0.4986837 0.5000017 0.1511590), wk = 0.0021008 k( 349) = ( -0.4986837 0.5000017 0.1637556), wk = 0.0021008 k( 350) = ( -0.4986837 0.5000017 0.1763521), wk = 0.0021008 k( 351) = ( -0.4986837 0.5000017 0.1889487), wk = 0.0021008 k( 352) = ( -0.4986837 0.5000017 0.2015453), wk = 0.0021008 k( 353) = ( -0.4986837 0.5000017 0.2141419), wk = 0.0021008 k( 354) = ( -0.4986837 0.5000017 0.2267385), wk = 0.0021008 k( 355) = ( -0.4986837 0.5000017 0.2393350), wk = 0.0021008 k( 356) = ( -0.4986837 0.5000017 0.2519316), wk = 0.0021008 k( 357) = ( -0.4986837 0.5000017 0.2645282), wk = 0.0021008 k( 358) = ( -0.4986837 0.5000017 0.2771248), wk = 0.0021008 k( 359) = ( -0.4986837 0.5000017 0.2897214), wk = 0.0021008 k( 360) = ( -0.4986837 0.5000017 0.3023179), wk = 0.0021008 k( 361) = ( -0.4986837 0.5000017 0.3149145), wk = 0.0021008 k( 362) = ( -0.4986837 0.5000017 0.3275111), wk = 0.0021008 k( 363) = ( -0.4986837 0.5000017 0.3401077), wk = 0.0021008 k( 364) = ( -0.4986837 0.5000017 0.3527043), wk = 0.0021008 k( 365) = ( -0.4986837 0.5000017 0.3653008), wk = 0.0021008 k( 366) = ( -0.4986837 0.5000017 0.3778974), wk = 0.0021008 k( 367) = ( -0.4986837 0.5000017 0.3904940), wk = 0.0021008 k( 368) = ( -0.4986837 0.5000017 0.4030906), wk = 0.0021008 k( 369) = ( -0.4986837 0.5000017 0.4156872), wk = 0.0021008 k( 370) = ( -0.4986837 0.5000017 0.4282837), wk = 0.0021008 k( 371) = ( -0.4986837 0.5000017 0.4408803), wk = 0.0021008 k( 372) = ( -0.4986837 0.5000017 0.4534769), wk = 0.0021008 k( 373) = ( -0.4986837 0.5000017 0.4660735), wk = 0.0021008 k( 374) = ( -0.4986837 0.5000017 0.4786701), wk = 0.0021008 k( 375) = ( -0.4986837 0.5000017 0.4912667), wk = 0.0021008 k( 376) = ( -0.4986837 0.5000017 0.5038632), wk = 0.0021008 k( 377) = ( -0.4986837 0.5000017 0.5038632), wk = 0.0021008 k( 378) = ( -0.5000000 0.4986819 0.5038632), wk = 0.0021008 k( 379) = ( -0.5000000 0.4986819 0.5038632), wk = 0.0021008 k( 380) = ( -0.5000000 0.4986819 0.4912667), wk = 0.0021008 k( 381) = ( -0.5000000 0.4986819 0.4786701), wk = 0.0021008 k( 382) = ( -0.5000000 0.4986819 0.4660735), wk = 0.0021008 k( 383) = ( -0.5000000 0.4986819 0.4534769), wk = 0.0021008 k( 384) = ( -0.5000000 0.4986819 0.4408803), wk = 0.0021008 k( 385) = ( -0.5000000 0.4986819 0.4282837), wk = 0.0021008 k( 386) = ( -0.5000000 0.4986819 0.4156872), wk = 0.0021008 k( 387) = ( -0.5000000 0.4986819 0.4030906), wk = 0.0021008 k( 388) = ( -0.5000000 0.4986819 0.3904940), wk = 0.0021008 k( 389) = ( -0.5000000 0.4986819 0.3778974), wk = 0.0021008 k( 390) = ( -0.5000000 0.4986819 0.3653008), wk = 0.0021008 k( 391) = ( -0.5000000 0.4986819 0.3527043), wk = 0.0021008 k( 392) = ( -0.5000000 0.4986819 0.3401077), wk = 0.0021008 k( 393) = ( -0.5000000 0.4986819 0.3275111), wk = 0.0021008 k( 394) = ( -0.5000000 0.4986819 0.3149145), wk = 0.0021008 k( 395) = ( -0.5000000 0.4986819 0.3023179), wk = 0.0021008 k( 396) = ( -0.5000000 0.4986819 0.2897214), wk = 0.0021008 k( 397) = ( -0.5000000 0.4986819 0.2771248), wk = 0.0021008 k( 398) = ( -0.5000000 0.4986819 0.2645282), wk = 0.0021008 k( 399) = ( -0.5000000 0.4986819 0.2519316), wk = 0.0021008 k( 400) = ( -0.5000000 0.4986819 0.2393350), wk = 0.0021008 k( 401) = ( -0.5000000 0.4986819 0.2267385), wk = 0.0021008 k( 402) = ( -0.5000000 0.4986819 0.2141419), wk = 0.0021008 k( 403) = ( -0.5000000 0.4986819 0.2015453), wk = 0.0021008 k( 404) = ( -0.5000000 0.4986819 0.1889487), wk = 0.0021008 k( 405) = ( -0.5000000 0.4986819 0.1763521), wk = 0.0021008 k( 406) = ( -0.5000000 0.4986819 0.1637556), wk = 0.0021008 k( 407) = ( -0.5000000 0.4986819 0.1511590), wk = 0.0021008 k( 408) = ( -0.5000000 0.4986819 0.1385624), wk = 0.0021008 k( 409) = ( -0.5000000 0.4986819 0.1259658), wk = 0.0021008 k( 410) = ( -0.5000000 0.4986819 0.1133692), wk = 0.0021008 k( 411) = ( -0.5000000 0.4986819 0.1007726), wk = 0.0021008 k( 412) = ( -0.5000000 0.4986819 0.0881761), wk = 0.0021008 k( 413) = ( -0.5000000 0.4986819 0.0755795), wk = 0.0021008 k( 414) = ( -0.5000000 0.4986819 0.0629829), wk = 0.0021008 k( 415) = ( -0.5000000 0.4986819 0.0503863), wk = 0.0021008 k( 416) = ( -0.5000000 0.4986819 0.0377897), wk = 0.0021008 k( 417) = ( -0.5000000 0.4986819 0.0251932), wk = 0.0021008 k( 418) = ( -0.5000000 0.4986819 0.0125966), wk = 0.0021008 k( 419) = ( -0.5000000 0.4986819 -0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5038632), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089050 0.5038632), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178101 0.5038632), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267151 0.5038632), wk = 0.0021008 k( 424) = ( -0.0357143 0.0356201 0.5038632), wk = 0.0021008 k( 425) = ( -0.0446429 0.0445252 0.5038632), wk = 0.0021008 k( 426) = ( -0.0535714 0.0534302 0.5038632), wk = 0.0021008 k( 427) = ( -0.0625000 0.0623352 0.5038632), wk = 0.0021008 k( 428) = ( -0.0714286 0.0712403 0.5038632), wk = 0.0021008 k( 429) = ( -0.0803571 0.0801453 0.5038632), wk = 0.0021008 k( 430) = ( -0.0892857 0.0890503 0.5038632), wk = 0.0021008 k( 431) = ( -0.0982143 0.0979554 0.5038632), wk = 0.0021008 k( 432) = ( -0.1071429 0.1068604 0.5038632), wk = 0.0021008 k( 433) = ( -0.1160714 0.1157654 0.5038632), wk = 0.0021008 k( 434) = ( -0.1250000 0.1246705 0.5038632), wk = 0.0021008 k( 435) = ( -0.1339286 0.1335755 0.5038632), wk = 0.0021008 k( 436) = ( -0.1428571 0.1424805 0.5038632), wk = 0.0021008 k( 437) = ( -0.1517857 0.1513856 0.5038632), wk = 0.0021008 k( 438) = ( -0.1607143 0.1602906 0.5038632), wk = 0.0021008 k( 439) = ( -0.1696429 0.1691957 0.5038632), wk = 0.0021008 k( 440) = ( -0.1785714 0.1781007 0.5038632), wk = 0.0021008 k( 441) = ( -0.1875000 0.1870057 0.5038632), wk = 0.0021008 k( 442) = ( -0.1964286 0.1959108 0.5038632), wk = 0.0021008 k( 443) = ( -0.2053571 0.2048158 0.5038632), wk = 0.0021008 k( 444) = ( -0.2142857 0.2137208 0.5038632), wk = 0.0021008 k( 445) = ( -0.2232143 0.2226259 0.5038632), wk = 0.0021008 k( 446) = ( -0.2321429 0.2315309 0.5038632), wk = 0.0021008 k( 447) = ( -0.2410714 0.2404359 0.5038632), wk = 0.0021008 k( 448) = ( -0.2500000 0.2493410 0.5038632), wk = 0.0021008 k( 449) = ( -0.2589286 0.2582460 0.5038632), wk = 0.0021008 k( 450) = ( -0.2678571 0.2671510 0.5038632), wk = 0.0021008 k( 451) = ( -0.2767857 0.2760561 0.5038632), wk = 0.0021008 k( 452) = ( -0.2857143 0.2849611 0.5038632), wk = 0.0021008 k( 453) = ( -0.2946429 0.2938661 0.5038632), wk = 0.0021008 k( 454) = ( -0.3035714 0.3027712 0.5038632), wk = 0.0021008 k( 455) = ( -0.3125000 0.3116762 0.5038632), wk = 0.0021008 k( 456) = ( -0.3214286 0.3205812 0.5038632), wk = 0.0021008 k( 457) = ( -0.3303571 0.3294863 0.5038632), wk = 0.0021008 k( 458) = ( -0.3392857 0.3383913 0.5038632), wk = 0.0021008 k( 459) = ( -0.3482143 0.3472963 0.5038632), wk = 0.0021008 k( 460) = ( -0.3571429 0.3562014 0.5038632), wk = 0.0021008 k( 461) = ( -0.3660714 0.3651064 0.5038632), wk = 0.0021008 k( 462) = ( -0.3750000 0.3740114 0.5038632), wk = 0.0021008 k( 463) = ( -0.3839286 0.3829165 0.5038632), wk = 0.0021008 k( 464) = ( -0.3928571 0.3918215 0.5038632), wk = 0.0021008 k( 465) = ( -0.4017857 0.4007265 0.5038632), wk = 0.0021008 k( 466) = ( -0.4107143 0.4096316 0.5038632), wk = 0.0021008 k( 467) = ( -0.4196429 0.4185366 0.5038632), wk = 0.0021008 k( 468) = ( -0.4285714 0.4274416 0.5038632), wk = 0.0021008 k( 469) = ( -0.4375000 0.4363467 0.5038632), wk = 0.0021008 k( 470) = ( -0.4464286 0.4452517 0.5038632), wk = 0.0021008 k( 471) = ( -0.4553571 0.4541567 0.5038632), wk = 0.0021008 k( 472) = ( -0.4642857 0.4630618 0.5038632), wk = 0.0021008 k( 473) = ( -0.4732143 0.4719668 0.5038632), wk = 0.0021008 k( 474) = ( -0.4821429 0.4808719 0.5038632), wk = 0.0021008 k( 475) = ( -0.4910714 0.4897769 0.5038632), wk = 0.0021008 k( 476) = ( -0.5000000 0.4986819 0.5038632), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089051 0.0089051 0.0000000), wk = 0.0021008 k( 3) = ( 0.0178101 0.0178101 0.0000000), wk = 0.0021008 k( 4) = ( 0.0267152 0.0267152 0.0000000), wk = 0.0021008 k( 5) = ( 0.0356203 0.0356203 0.0000000), wk = 0.0021008 k( 6) = ( 0.0445253 0.0445253 0.0000000), wk = 0.0021008 k( 7) = ( 0.0534304 0.0534304 0.0000000), wk = 0.0021008 k( 8) = ( 0.0623355 0.0623355 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712405 0.0712405 0.0000000), wk = 0.0021008 k( 10) = ( 0.0801456 0.0801456 0.0000000), wk = 0.0021008 k( 11) = ( 0.0890506 0.0890506 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979557 0.0979557 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068608 0.1068608 0.0000000), wk = 0.0021008 k( 14) = ( 0.1157659 0.1157659 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246709 0.1246709 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1335760 0.1335760 0.0000000), wk = 0.0021008 k( 17) = ( 0.1424810 0.1424811 0.0000000), wk = 0.0021008 k( 18) = ( 0.1513861 0.1513861 0.0000000), wk = 0.0021008 k( 19) = ( 0.1602912 0.1602912 0.0000000), wk = 0.0021008 k( 20) = ( 0.1691962 0.1691962 0.0000000), wk = 0.0021008 k( 21) = ( 0.1781013 0.1781013 0.0000000), wk = 0.0021008 k( 22) = ( 0.1870064 0.1870064 0.0000000), wk = 0.0021008 k( 23) = ( 0.1959114 0.1959114 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2048165 0.2048165 0.0000000), wk = 0.0021008 k( 25) = ( 0.2137216 0.2137216 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2226266 0.2226266 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2315317 0.2315317 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2404368 0.2404368 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2493418 0.2493418 0.0000000), wk = 0.0021008 k( 30) = ( 0.2582469 0.2582469 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2671520 0.2671520 0.0000000), wk = 0.0021008 k( 32) = ( 0.2760570 0.2760570 0.0000000), wk = 0.0021008 k( 33) = ( 0.2849621 0.2849621 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2938672 0.2938672 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3027722 0.3027722 0.0000000), wk = 0.0021008 k( 36) = ( 0.3116773 0.3116773 0.0000000), wk = 0.0021008 k( 37) = ( 0.3205824 0.3205824 0.0000000), wk = 0.0021008 k( 38) = ( 0.3294874 0.3294874 0.0000000), wk = 0.0021008 k( 39) = ( 0.3383925 0.3383925 0.0000000), wk = 0.0021008 k( 40) = ( 0.3472976 0.3472976 0.0000000), wk = 0.0021008 k( 41) = ( 0.3562026 0.3562026 0.0000000), wk = 0.0021008 k( 42) = ( 0.3651077 0.3651077 0.0000000), wk = 0.0021008 k( 43) = ( 0.3740127 0.3740127 0.0000000), wk = 0.0021008 k( 44) = ( 0.3829178 0.3829178 0.0000000), wk = 0.0021008 k( 45) = ( 0.3918229 0.3918229 0.0000000), wk = 0.0021008 k( 46) = ( 0.4007279 0.4007279 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4096330 0.4096330 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4185381 0.4185381 0.0000000), wk = 0.0021008 k( 49) = ( 0.4274431 0.4274431 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4363482 0.4363482 0.0000000), wk = 0.0021008 k( 51) = ( 0.4452533 0.4452533 0.0000000), wk = 0.0021008 k( 52) = ( 0.4541583 0.4541583 0.0000000), wk = 0.0021008 k( 53) = ( 0.4630634 0.4630634 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4719685 0.4719685 0.0000000), wk = 0.0021008 k( 55) = ( 0.4808735 0.4808735 0.0000000), wk = 0.0021008 k( 56) = ( 0.4897786 0.4897786 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4986837 0.4986837 0.0000000), wk = 0.0021008 k( 58) = ( 0.4986837 0.4986837 0.0000000), wk = 0.0021008 k( 59) = ( 0.4858969 0.4987174 0.0000000), wk = 0.0021008 k( 60) = ( 0.4731101 0.4987512 0.0000000), wk = 0.0021008 k( 61) = ( 0.4603234 0.4987849 0.0000000), wk = 0.0021008 k( 62) = ( 0.4475366 0.4988187 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4347499 0.4988524 0.0000000), wk = 0.0021008 k( 64) = ( 0.4219631 0.4988862 0.0000000), wk = 0.0021008 k( 65) = ( 0.4091763 0.4989199 0.0000000), wk = 0.0021008 k( 66) = ( 0.3963896 0.4989537 0.0000000), wk = 0.0021008 k( 67) = ( 0.3836028 0.4989874 0.0000000), wk = 0.0021008 k( 68) = ( 0.3708161 0.4990212 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3580293 0.4990549 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3452425 0.4990887 0.0000000), wk = 0.0021008 k( 71) = ( 0.3324558 0.4991224 0.0000000), wk = 0.0021008 k( 72) = ( 0.3196690 0.4991562 0.0000000), wk = 0.0021008 k( 73) = ( 0.3068823 0.4991899 0.0000000), wk = 0.0021008 k( 74) = ( 0.2940955 0.4992237 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2813087 0.4992575 0.0000000), wk = 0.0021008 k( 76) = ( 0.2685220 0.4992912 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2557352 0.4993249 0.0000000), wk = 0.0021008 k( 78) = ( 0.2429485 0.4993587 0.0000000), wk = 0.0021008 k( 79) = ( 0.2301617 0.4993925 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2173749 0.4994262 0.0000000), wk = 0.0021008 k( 81) = ( 0.2045882 0.4994600 0.0000000), wk = 0.0021008 k( 82) = ( 0.1918014 0.4994937 0.0000000), wk = 0.0021008 k( 83) = ( 0.1790146 0.4995275 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1662279 0.4995612 0.0000000), wk = 0.0021008 k( 85) = ( 0.1534411 0.4995950 0.0000000), wk = 0.0021008 k( 86) = ( 0.1406544 0.4996287 0.0000000), wk = 0.0021008 k( 87) = ( 0.1278676 0.4996625 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1150808 0.4996962 0.0000000), wk = 0.0021008 k( 89) = ( 0.1022941 0.4997300 0.0000000), wk = 0.0021008 k( 90) = ( 0.0895073 0.4997637 0.0000000), wk = 0.0021008 k( 91) = ( 0.0767206 0.4997975 0.0000000), wk = 0.0021008 k( 92) = ( 0.0639338 0.4998312 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511470 0.4998650 0.0000000), wk = 0.0021008 k( 94) = ( 0.0383603 0.4998987 0.0000000), wk = 0.0021008 k( 95) = ( 0.0255735 0.4999325 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127868 0.4999663 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) = ( 0.0127868 0.4999663 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255735 0.4999325 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383603 0.4998987 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511470 0.4998650 0.5000000), wk = 0.0021008 k( 144) = ( 0.0639338 0.4998312 0.5000000), wk = 0.0021008 k( 145) = ( 0.0767206 0.4997975 0.5000000), wk = 0.0021008 k( 146) = ( 0.0895073 0.4997637 0.5000000), wk = 0.0021008 k( 147) = ( 0.1022941 0.4997300 0.5000000), wk = 0.0021008 k( 148) = ( 0.1150808 0.4996962 0.5000000), wk = 0.0021008 k( 149) = ( 0.1278676 0.4996625 0.5000000), wk = 0.0021008 k( 150) = ( 0.1406544 0.4996287 0.5000000), wk = 0.0021008 k( 151) = ( 0.1534411 0.4995950 0.5000000), wk = 0.0021008 k( 152) = ( 0.1662279 0.4995612 0.5000000), wk = 0.0021008 k( 153) = ( 0.1790146 0.4995275 0.5000000), wk = 0.0021008 k( 154) = ( 0.1918014 0.4994937 0.5000000), wk = 0.0021008 k( 155) = ( 0.2045882 0.4994600 0.5000000), wk = 0.0021008 k( 156) = ( 0.2173749 0.4994262 0.5000000), wk = 0.0021008 k( 157) = ( 0.2301617 0.4993925 0.5000000), wk = 0.0021008 k( 158) = ( 0.2429485 0.4993587 0.5000000), wk = 0.0021008 k( 159) = ( 0.2557352 0.4993249 0.5000000), wk = 0.0021008 k( 160) = ( 0.2685220 0.4992912 0.5000000), wk = 0.0021008 k( 161) = ( 0.2813087 0.4992575 0.5000000), wk = 0.0021008 k( 162) = ( 0.2940955 0.4992237 0.5000000), wk = 0.0021008 k( 163) = ( 0.3068823 0.4991899 0.5000000), wk = 0.0021008 k( 164) = ( 0.3196690 0.4991562 0.5000000), wk = 0.0021008 k( 165) = ( 0.3324558 0.4991224 0.5000000), wk = 0.0021008 k( 166) = ( 0.3452425 0.4990887 0.5000000), wk = 0.0021008 k( 167) = ( 0.3580293 0.4990549 0.5000000), wk = 0.0021008 k( 168) = ( 0.3708161 0.4990212 0.5000000), wk = 0.0021008 k( 169) = ( 0.3836028 0.4989874 0.5000000), wk = 0.0021008 k( 170) = ( 0.3963896 0.4989537 0.5000000), wk = 0.0021008 k( 171) = ( 0.4091763 0.4989199 0.5000000), wk = 0.0021008 k( 172) = ( 0.4219631 0.4988862 0.5000000), wk = 0.0021008 k( 173) = ( 0.4347499 0.4988524 0.5000000), wk = 0.0021008 k( 174) = ( 0.4475366 0.4988187 0.5000000), wk = 0.0021008 k( 175) = ( 0.4603234 0.4987849 0.5000000), wk = 0.0021008 k( 176) = ( 0.4731101 0.4987512 0.5000000), wk = 0.0021008 k( 177) = ( 0.4858969 0.4987174 0.5000000), wk = 0.0021008 k( 178) = ( 0.4986837 0.4986837 0.5000000), wk = 0.0021008 k( 179) = ( 0.4986837 0.4986837 0.5000000), wk = 0.0021008 k( 180) = ( 0.4897786 0.4897786 0.5000000), wk = 0.0021008 k( 181) = ( 0.4808735 0.4808735 0.5000000), wk = 0.0021008 k( 182) = ( 0.4719685 0.4719685 0.5000000), wk = 0.0021008 k( 183) = ( 0.4630634 0.4630634 0.5000000), wk = 0.0021008 k( 184) = ( 0.4541583 0.4541583 0.5000000), wk = 0.0021008 k( 185) = ( 0.4452533 0.4452533 0.5000000), wk = 0.0021008 k( 186) = ( 0.4363482 0.4363482 0.5000000), wk = 0.0021008 k( 187) = ( 0.4274431 0.4274431 0.5000000), wk = 0.0021008 k( 188) = ( 0.4185381 0.4185381 0.5000000), wk = 0.0021008 k( 189) = ( 0.4096330 0.4096330 0.5000000), wk = 0.0021008 k( 190) = ( 0.4007279 0.4007279 0.5000000), wk = 0.0021008 k( 191) = ( 0.3918229 0.3918229 0.5000000), wk = 0.0021008 k( 192) = ( 0.3829178 0.3829178 0.5000000), wk = 0.0021008 k( 193) = ( 0.3740127 0.3740127 0.5000000), wk = 0.0021008 k( 194) = ( 0.3651077 0.3651077 0.5000000), wk = 0.0021008 k( 195) = ( 0.3562026 0.3562026 0.5000000), wk = 0.0021008 k( 196) = ( 0.3472976 0.3472976 0.5000000), wk = 0.0021008 k( 197) = ( 0.3383925 0.3383925 0.5000000), wk = 0.0021008 k( 198) = ( 0.3294874 0.3294874 0.5000000), wk = 0.0021008 k( 199) = ( 0.3205824 0.3205824 0.5000000), wk = 0.0021008 k( 200) = ( 0.3116773 0.3116773 0.5000000), wk = 0.0021008 k( 201) = ( 0.3027722 0.3027722 0.5000000), wk = 0.0021008 k( 202) = ( 0.2938672 0.2938672 0.5000000), wk = 0.0021008 k( 203) = ( 0.2849621 0.2849621 0.5000000), wk = 0.0021008 k( 204) = ( 0.2760570 0.2760570 0.5000000), wk = 0.0021008 k( 205) = ( 0.2671520 0.2671520 0.5000000), wk = 0.0021008 k( 206) = ( 0.2582469 0.2582469 0.5000000), wk = 0.0021008 k( 207) = ( 0.2493418 0.2493418 0.5000000), wk = 0.0021008 k( 208) = ( 0.2404368 0.2404368 0.5000000), wk = 0.0021008 k( 209) = ( 0.2315317 0.2315317 0.5000000), wk = 0.0021008 k( 210) = ( 0.2226266 0.2226266 0.5000000), wk = 0.0021008 k( 211) = ( 0.2137216 0.2137216 0.5000000), wk = 0.0021008 k( 212) = ( 0.2048165 0.2048165 0.5000000), wk = 0.0021008 k( 213) = ( 0.1959114 0.1959114 0.5000000), wk = 0.0021008 k( 214) = ( 0.1870064 0.1870064 0.5000000), wk = 0.0021008 k( 215) = ( 0.1781013 0.1781013 0.5000000), wk = 0.0021008 k( 216) = ( 0.1691962 0.1691962 0.5000000), wk = 0.0021008 k( 217) = ( 0.1602912 0.1602912 0.5000000), wk = 0.0021008 k( 218) = ( 0.1513861 0.1513861 0.5000000), wk = 0.0021008 k( 219) = ( 0.1424810 0.1424811 0.5000000), wk = 0.0021008 k( 220) = ( 0.1335760 0.1335760 0.5000000), wk = 0.0021008 k( 221) = ( 0.1246709 0.1246709 0.5000000), wk = 0.0021008 k( 222) = ( 0.1157659 0.1157659 0.5000000), wk = 0.0021008 k( 223) = ( 0.1068608 0.1068608 0.5000000), wk = 0.0021008 k( 224) = ( 0.0979557 0.0979557 0.5000000), wk = 0.0021008 k( 225) = ( 0.0890506 0.0890506 0.5000000), wk = 0.0021008 k( 226) = ( 0.0801456 0.0801456 0.5000000), wk = 0.0021008 k( 227) = ( 0.0712405 0.0712405 0.5000000), wk = 0.0021008 k( 228) = ( 0.0623355 0.0623355 0.5000000), wk = 0.0021008 k( 229) = ( 0.0534304 0.0534304 0.5000000), wk = 0.0021008 k( 230) = ( 0.0445253 0.0445253 0.5000000), wk = 0.0021008 k( 231) = ( 0.0356203 0.0356203 0.5000000), wk = 0.0021008 k( 232) = ( 0.0267152 0.0267152 0.5000000), wk = 0.0021008 k( 233) = ( 0.0178101 0.0178101 0.5000000), wk = 0.0021008 k( 234) = ( 0.0089051 0.0089051 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) = ( -0.4986837 0.5013163 0.0000000), wk = 0.0021008 k( 336) = ( -0.4986837 0.5013163 0.0000000), wk = 0.0021008 k( 337) = ( -0.4986837 0.5013163 0.0125000), wk = 0.0021008 k( 338) = ( -0.4986837 0.5013163 0.0250000), wk = 0.0021008 k( 339) = ( -0.4986837 0.5013163 0.0375000), wk = 0.0021008 k( 340) = ( -0.4986837 0.5013163 0.0500000), wk = 0.0021008 k( 341) = ( -0.4986837 0.5013163 0.0625000), wk = 0.0021008 k( 342) = ( -0.4986837 0.5013163 0.0750000), wk = 0.0021008 k( 343) = ( -0.4986837 0.5013163 0.0875000), wk = 0.0021008 k( 344) = ( -0.4986837 0.5013163 0.1000000), wk = 0.0021008 k( 345) = ( -0.4986837 0.5013163 0.1125000), wk = 0.0021008 k( 346) = ( -0.4986837 0.5013163 0.1250000), wk = 0.0021008 k( 347) = ( -0.4986837 0.5013163 0.1375000), wk = 0.0021008 k( 348) = ( -0.4986837 0.5013163 0.1500000), wk = 0.0021008 k( 349) = ( -0.4986837 0.5013163 0.1625000), wk = 0.0021008 k( 350) = ( -0.4986837 0.5013163 0.1750000), wk = 0.0021008 k( 351) = ( -0.4986837 0.5013163 0.1875000), wk = 0.0021008 k( 352) = ( -0.4986837 0.5013163 0.2000000), wk = 0.0021008 k( 353) = ( -0.4986837 0.5013163 0.2125000), wk = 0.0021008 k( 354) = ( -0.4986837 0.5013163 0.2250000), wk = 0.0021008 k( 355) = ( -0.4986837 0.5013163 0.2375000), wk = 0.0021008 k( 356) = ( -0.4986837 0.5013163 0.2500000), wk = 0.0021008 k( 357) = ( -0.4986837 0.5013163 0.2625000), wk = 0.0021008 k( 358) = ( -0.4986837 0.5013163 0.2750000), wk = 0.0021008 k( 359) = ( -0.4986837 0.5013163 0.2875000), wk = 0.0021008 k( 360) = ( -0.4986837 0.5013163 0.3000000), wk = 0.0021008 k( 361) = ( -0.4986837 0.5013163 0.3125000), wk = 0.0021008 k( 362) = ( -0.4986837 0.5013163 0.3250000), wk = 0.0021008 k( 363) = ( -0.4986837 0.5013163 0.3375000), wk = 0.0021008 k( 364) = ( -0.4986837 0.5013163 0.3500000), wk = 0.0021008 k( 365) = ( -0.4986837 0.5013163 0.3625000), wk = 0.0021008 k( 366) = ( -0.4986837 0.5013163 0.3750000), wk = 0.0021008 k( 367) = ( -0.4986837 0.5013163 0.3875000), wk = 0.0021008 k( 368) = ( -0.4986837 0.5013163 0.4000000), wk = 0.0021008 k( 369) = ( -0.4986837 0.5013163 0.4125000), wk = 0.0021008 k( 370) = ( -0.4986837 0.5013163 0.4250000), wk = 0.0021008 k( 371) = ( -0.4986837 0.5013163 0.4375000), wk = 0.0021008 k( 372) = ( -0.4986837 0.5013163 0.4500000), wk = 0.0021008 k( 373) = ( -0.4986837 0.5013163 0.4625000), wk = 0.0021008 k( 374) = ( -0.4986837 0.5013163 0.4750000), wk = 0.0021008 k( 375) = ( -0.4986837 0.5013163 0.4875000), wk = 0.0021008 k( 376) = ( -0.4986837 0.5013163 0.5000000), wk = 0.0021008 k( 377) = ( -0.4986837 0.5013163 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: 101277 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22051 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 ( 2108) G-vector shells 0.01 Mb ( 1081) 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 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 51.9 secs Computing kpt #: 4 total cpu time spent up to now is 53.9 secs Computing kpt #: 5 total cpu time spent up to now is 57.0 secs Computing kpt #: 6 total cpu time spent up to now is 59.6 secs Computing kpt #: 7 total cpu time spent up to now is 61.8 secs Computing kpt #: 8 total cpu time spent up to now is 64.0 secs Computing kpt #: 9 total cpu time spent up to now is 65.6 secs Computing kpt #: 10 total cpu time spent up to now is 67.5 secs Computing kpt #: 11 total cpu time spent up to now is 68.8 secs Computing kpt #: 12 total cpu time spent up to now is 70.3 secs Computing kpt #: 13 total cpu time spent up to now is 72.0 secs Computing kpt #: 14 total cpu time spent up to now is 73.2 secs Computing kpt #: 15 total cpu time spent up to now is 74.6 secs Computing kpt #: 16 total cpu time spent up to now is 76.3 secs Computing kpt #: 17 total cpu time spent up to now is 77.9 secs Computing kpt #: 18 total cpu time spent up to now is 79.1 secs Computing kpt #: 19 total cpu time spent up to now is 80.4 secs Computing kpt #: 20 total cpu time spent up to now is 81.7 secs Computing kpt #: 21 total cpu time spent up to now is 83.2 secs Computing kpt #: 22 total cpu time spent up to now is 84.5 secs Computing kpt #: 23 total cpu time spent up to now is 85.7 secs Computing kpt #: 24 total cpu time spent up to now is 87.0 secs Computing kpt #: 25 total cpu time spent up to now is 88.3 secs Computing kpt #: 26 total cpu time spent up to now is 89.5 secs Computing kpt #: 27 total cpu time spent up to now is 90.8 secs Computing kpt #: 28 total cpu time spent up to now is 92.0 secs Computing kpt #: 29 total cpu time spent up to now is 93.3 secs Computing kpt #: 30 total cpu time spent up to now is 94.5 secs Computing kpt #: 31 total cpu time spent up to now is 96.0 secs Computing kpt #: 32 total cpu time spent up to now is 97.2 secs Computing kpt #: 33 total cpu time spent up to now is 98.4 secs Computing kpt #: 34 total cpu time spent up to now is 99.6 secs Computing kpt #: 35 total cpu time spent up to now is 100.8 secs Computing kpt #: 36 total cpu time spent up to now is 102.0 secs Computing kpt #: 37 total cpu time spent up to now is 103.3 secs Computing kpt #: 38 total cpu time spent up to now is 104.5 secs Computing kpt #: 39 total cpu time spent up to now is 105.8 secs Computing kpt #: 40 total cpu time spent up to now is 107.1 secs Computing kpt #: 41 total cpu time spent up to now is 108.3 secs Computing kpt #: 42 total cpu time spent up to now is 109.5 secs Computing kpt #: 43 total cpu time spent up to now is 110.9 secs Computing kpt #: 44 total cpu time spent up to now is 112.3 secs Computing kpt #: 45 total cpu time spent up to now is 113.5 secs Computing kpt #: 46 total cpu time spent up to now is 114.7 secs Computing kpt #: 47 total cpu time spent up to now is 116.1 secs Computing kpt #: 48 total cpu time spent up to now is 117.4 secs Computing kpt #: 49 total cpu time spent up to now is 118.5 secs Computing kpt #: 50 total cpu time spent up to now is 119.6 secs Computing kpt #: 51 total cpu time spent up to now is 120.7 secs Computing kpt #: 52 total cpu time spent up to now is 121.7 secs Computing kpt #: 53 total cpu time spent up to now is 122.6 secs Computing kpt #: 54 total cpu time spent up to now is 123.7 secs Computing kpt #: 55 total cpu time spent up to now is 124.8 secs Computing kpt #: 56 total cpu time spent up to now is 125.8 secs Computing kpt #: 57 total cpu time spent up to now is 126.8 secs Computing kpt #: 58 total cpu time spent up to now is 127.9 secs Computing kpt #: 59 total cpu time spent up to now is 128.9 secs Computing kpt #: 60 total cpu time spent up to now is 130.0 secs Computing kpt #: 61 total cpu time spent up to now is 131.1 secs Computing kpt #: 62 total cpu time spent up to now is 132.1 secs Computing kpt #: 63 total cpu time spent up to now is 133.2 secs Computing kpt #: 64 total cpu time spent up to now is 134.2 secs Computing kpt #: 65 total cpu time spent up to now is 135.4 secs Computing kpt #: 66 total cpu time spent up to now is 136.5 secs Computing kpt #: 67 total cpu time spent up to now is 137.8 secs Computing kpt #: 68 total cpu time spent up to now is 139.0 secs Computing kpt #: 69 total cpu time spent up to now is 140.3 secs Computing kpt #: 70 total cpu time spent up to now is 141.6 secs Computing kpt #: 71 total cpu time spent up to now is 143.0 secs Computing kpt #: 72 total cpu time spent up to now is 144.3 secs Computing kpt #: 73 total cpu time spent up to now is 145.4 secs Computing kpt #: 74 total cpu time spent up to now is 146.6 secs Computing kpt #: 75 total cpu time spent up to now is 147.9 secs Computing kpt #: 76 total cpu time spent up to now is 149.1 secs Computing kpt #: 77 total cpu time spent up to now is 150.3 secs Computing kpt #: 78 total cpu time spent up to now is 151.4 secs Computing kpt #: 79 total cpu time spent up to now is 152.8 secs Computing kpt #: 80 total cpu time spent up to now is 154.0 secs Computing kpt #: 81 total cpu time spent up to now is 155.4 secs Computing kpt #: 82 total cpu time spent up to now is 156.6 secs Computing kpt #: 83 total cpu time spent up to now is 157.8 secs Computing kpt #: 84 total cpu time spent up to now is 159.0 secs Computing kpt #: 85 total cpu time spent up to now is 160.2 secs Computing kpt #: 86 total cpu time spent up to now is 161.4 secs Computing kpt #: 87 total cpu time spent up to now is 162.7 secs Computing kpt #: 88 total cpu time spent up to now is 163.8 secs Computing kpt #: 89 total cpu time spent up to now is 165.1 secs Computing kpt #: 90 total cpu time spent up to now is 166.6 secs Computing kpt #: 91 total cpu time spent up to now is 167.8 secs Computing kpt #: 92 total cpu time spent up to now is 169.1 secs Computing kpt #: 93 total cpu time spent up to now is 170.3 secs Computing kpt #: 94 total cpu time spent up to now is 171.5 secs Computing kpt #: 95 total cpu time spent up to now is 173.0 secs Computing kpt #: 96 total cpu time spent up to now is 174.1 secs Computing kpt #: 97 total cpu time spent up to now is 175.3 secs Computing kpt #: 98 total cpu time spent up to now is 176.5 secs Computing kpt #: 99 total cpu time spent up to now is 177.7 secs Computing kpt #: 100 total cpu time spent up to now is 179.0 secs Computing kpt #: 101 total cpu time spent up to now is 180.2 secs Computing kpt #: 102 total cpu time spent up to now is 181.4 secs Computing kpt #: 103 total cpu time spent up to now is 182.6 secs Computing kpt #: 104 total cpu time spent up to now is 183.8 secs Computing kpt #: 105 total cpu time spent up to now is 185.0 secs Computing kpt #: 106 total cpu time spent up to now is 186.2 secs Computing kpt #: 107 total cpu time spent up to now is 187.4 secs Computing kpt #: 108 total cpu time spent up to now is 188.7 secs Computing kpt #: 109 total cpu time spent up to now is 189.9 secs Computing kpt #: 110 total cpu time spent up to now is 191.1 secs Computing kpt #: 111 total cpu time spent up to now is 192.3 secs Computing kpt #: 112 total cpu time spent up to now is 193.5 secs Computing kpt #: 113 total cpu time spent up to now is 194.9 secs Computing kpt #: 114 total cpu time spent up to now is 196.1 secs Computing kpt #: 115 total cpu time spent up to now is 197.3 secs Computing kpt #: 116 total cpu time spent up to now is 198.5 secs Computing kpt #: 117 total cpu time spent up to now is 199.7 secs Computing kpt #: 118 total cpu time spent up to now is 200.9 secs Computing kpt #: 119 total cpu time spent up to now is 202.1 secs Computing kpt #: 120 total cpu time spent up to now is 203.3 secs Computing kpt #: 121 total cpu time spent up to now is 204.5 secs Computing kpt #: 122 total cpu time spent up to now is 205.6 secs Computing kpt #: 123 total cpu time spent up to now is 206.8 secs Computing kpt #: 124 total cpu time spent up to now is 208.0 secs Computing kpt #: 125 total cpu time spent up to now is 209.1 secs Computing kpt #: 126 total cpu time spent up to now is 210.2 secs Computing kpt #: 127 total cpu time spent up to now is 211.4 secs Computing kpt #: 128 total cpu time spent up to now is 212.5 secs Computing kpt #: 129 total cpu time spent up to now is 213.6 secs Computing kpt #: 130 total cpu time spent up to now is 214.6 secs Computing kpt #: 131 total cpu time spent up to now is 215.6 secs Computing kpt #: 132 total cpu time spent up to now is 216.6 secs Computing kpt #: 133 total cpu time spent up to now is 217.6 secs Computing kpt #: 134 total cpu time spent up to now is 218.6 secs Computing kpt #: 135 total cpu time spent up to now is 219.7 secs Computing kpt #: 136 total cpu time spent up to now is 220.8 secs Computing kpt #: 137 total cpu time spent up to now is 221.9 secs Computing kpt #: 138 total cpu time spent up to now is 222.9 secs Computing kpt #: 139 total cpu time spent up to now is 223.9 secs Computing kpt #: 140 total cpu time spent up to now is 225.0 secs Computing kpt #: 141 total cpu time spent up to now is 226.1 secs Computing kpt #: 142 total cpu time spent up to now is 227.2 secs Computing kpt #: 143 total cpu time spent up to now is 228.3 secs Computing kpt #: 144 total cpu time spent up to now is 229.3 secs Computing kpt #: 145 total cpu time spent up to now is 230.3 secs Computing kpt #: 146 total cpu time spent up to now is 231.5 secs Computing kpt #: 147 total cpu time spent up to now is 232.8 secs Computing kpt #: 148 total cpu time spent up to now is 233.9 secs Computing kpt #: 149 total cpu time spent up to now is 235.1 secs Computing kpt #: 150 total cpu time spent up to now is 236.3 secs Computing kpt #: 151 total cpu time spent up to now is 237.7 secs Computing kpt #: 152 total cpu time spent up to now is 239.0 secs Computing kpt #: 153 total cpu time spent up to now is 240.3 secs Computing kpt #: 154 total cpu time spent up to now is 241.7 secs Computing kpt #: 155 total cpu time spent up to now is 243.3 secs Computing kpt #: 156 total cpu time spent up to now is 244.8 secs Computing kpt #: 157 total cpu time spent up to now is 246.4 secs Computing kpt #: 158 total cpu time spent up to now is 247.9 secs Computing kpt #: 159 total cpu time spent up to now is 249.6 secs Computing kpt #: 160 total cpu time spent up to now is 251.5 secs Computing kpt #: 161 total cpu time spent up to now is 253.2 secs Computing kpt #: 162 total cpu time spent up to now is 255.1 secs Computing kpt #: 163 total cpu time spent up to now is 256.8 secs Computing kpt #: 164 total cpu time spent up to now is 258.6 secs Computing kpt #: 165 total cpu time spent up to now is 260.6 secs Computing kpt #: 166 total cpu time spent up to now is 262.5 secs Computing kpt #: 167 total cpu time spent up to now is 264.5 secs Computing kpt #: 168 total cpu time spent up to now is 266.5 secs Computing kpt #: 169 total cpu time spent up to now is 268.5 secs Computing kpt #: 170 total cpu time spent up to now is 270.5 secs Computing kpt #: 171 total cpu time spent up to now is 272.9 secs Computing kpt #: 172 total cpu time spent up to now is 275.2 secs Computing kpt #: 173 total cpu time spent up to now is 277.7 secs Computing kpt #: 174 total cpu time spent up to now is 280.3 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.6 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.8 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.0 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.1 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.2 secs Computing kpt #: 181 total cpu time spent up to now is 302.2 secs Computing kpt #: 182 total cpu time spent up to now is 305.1 secs Computing kpt #: 183 total cpu time spent up to now is 307.5 secs Computing kpt #: 184 total cpu time spent up to now is 310.5 secs Computing kpt #: 185 total cpu time spent up to now is 313.0 secs Computing kpt #: 186 total cpu time spent up to now is 315.5 secs Computing kpt #: 187 total cpu time spent up to now is 317.7 secs Computing kpt #: 188 total cpu time spent up to now is 320.1 secs Computing kpt #: 189 total cpu time spent up to now is 322.2 secs Computing kpt #: 190 total cpu time spent up to now is 324.4 secs Computing kpt #: 191 total cpu time spent up to now is 326.5 secs Computing kpt #: 192 total cpu time spent up to now is 328.7 secs Computing kpt #: 193 total cpu time spent up to now is 330.7 secs Computing kpt #: 194 total cpu time spent up to now is 333.1 secs Computing kpt #: 195 total cpu time spent up to now is 335.4 secs Computing kpt #: 196 total cpu time spent up to now is 337.5 secs Computing kpt #: 197 total cpu time spent up to now is 339.5 secs Computing kpt #: 198 total cpu time spent up to now is 341.6 secs Computing kpt #: 199 total cpu time spent up to now is 343.6 secs Computing kpt #: 200 total cpu time spent up to now is 345.4 secs Computing kpt #: 201 total cpu time spent up to now is 347.2 secs Computing kpt #: 202 total cpu time spent up to now is 348.9 secs Computing kpt #: 203 total cpu time spent up to now is 350.5 secs Computing kpt #: 204 total cpu time spent up to now is 352.1 secs Computing kpt #: 205 total cpu time spent up to now is 353.6 secs Computing kpt #: 206 total cpu time spent up to now is 355.2 secs Computing kpt #: 207 total cpu time spent up to now is 356.6 secs Computing kpt #: 208 total cpu time spent up to now is 358.2 secs Computing kpt #: 209 total cpu time spent up to now is 359.6 secs Computing kpt #: 210 total cpu time spent up to now is 361.2 secs Computing kpt #: 211 total cpu time spent up to now is 362.4 secs Computing kpt #: 212 total cpu time spent up to now is 363.7 secs Computing kpt #: 213 total cpu time spent up to now is 365.0 secs Computing kpt #: 214 total cpu time spent up to now is 366.6 secs Computing kpt #: 215 total cpu time spent up to now is 367.8 secs Computing kpt #: 216 total cpu time spent up to now is 369.1 secs Computing kpt #: 217 total cpu time spent up to now is 370.3 secs Computing kpt #: 218 total cpu time spent up to now is 371.6 secs Computing kpt #: 219 total cpu time spent up to now is 372.8 secs Computing kpt #: 220 total cpu time spent up to now is 374.0 secs Computing kpt #: 221 total cpu time spent up to now is 375.3 secs Computing kpt #: 222 total cpu time spent up to now is 376.5 secs Computing kpt #: 223 total cpu time spent up to now is 377.7 secs Computing kpt #: 224 total cpu time spent up to now is 379.0 secs Computing kpt #: 225 total cpu time spent up to now is 380.2 secs Computing kpt #: 226 total cpu time spent up to now is 381.6 secs Computing kpt #: 227 total cpu time spent up to now is 382.8 secs Computing kpt #: 228 total cpu time spent up to now is 384.1 secs Computing kpt #: 229 total cpu time spent up to now is 385.2 secs Computing kpt #: 230 total cpu time spent up to now is 386.4 secs Computing kpt #: 231 total cpu time spent up to now is 387.6 secs Computing kpt #: 232 total cpu time spent up to now is 389.0 secs Computing kpt #: 233 total cpu time spent up to now is 390.3 secs Computing kpt #: 234 total cpu time spent up to now is 391.6 secs Computing kpt #: 235 total cpu time spent up to now is 392.8 secs Computing kpt #: 236 total cpu time spent up to now is 394.2 secs Computing kpt #: 237 total cpu time spent up to now is 395.4 secs Computing kpt #: 238 total cpu time spent up to now is 396.6 secs Computing kpt #: 239 total cpu time spent up to now is 397.8 secs Computing kpt #: 240 total cpu time spent up to now is 399.0 secs Computing kpt #: 241 total cpu time spent up to now is 400.3 secs Computing kpt #: 242 total cpu time spent up to now is 401.4 secs Computing kpt #: 243 total cpu time spent up to now is 402.6 secs Computing kpt #: 244 total cpu time spent up to now is 403.8 secs Computing kpt #: 245 total cpu time spent up to now is 405.0 secs Computing kpt #: 246 total cpu time spent up to now is 406.4 secs Computing kpt #: 247 total cpu time spent up to now is 407.6 secs Computing kpt #: 248 total cpu time spent up to now is 409.0 secs Computing kpt #: 249 total cpu time spent up to now is 410.2 secs Computing kpt #: 250 total cpu time spent up to now is 411.5 secs Computing kpt #: 251 total cpu time spent up to now is 412.8 secs Computing kpt #: 252 total cpu time spent up to now is 414.1 secs Computing kpt #: 253 total cpu time spent up to now is 415.3 secs Computing kpt #: 254 total cpu time spent up to now is 416.5 secs Computing kpt #: 255 total cpu time spent up to now is 417.8 secs Computing kpt #: 256 total cpu time spent up to now is 419.2 secs Computing kpt #: 257 total cpu time spent up to now is 420.4 secs Computing kpt #: 258 total cpu time spent up to now is 421.7 secs Computing kpt #: 259 total cpu time spent up to now is 423.0 secs Computing kpt #: 260 total cpu time spent up to now is 424.3 secs Computing kpt #: 261 total cpu time spent up to now is 425.6 secs Computing kpt #: 262 total cpu time spent up to now is 426.9 secs Computing kpt #: 263 total cpu time spent up to now is 428.2 secs Computing kpt #: 264 total cpu time spent up to now is 429.5 secs Computing kpt #: 265 total cpu time spent up to now is 431.3 secs Computing kpt #: 266 total cpu time spent up to now is 432.7 secs Computing kpt #: 267 total cpu time spent up to now is 435.3 secs Computing kpt #: 268 total cpu time spent up to now is 437.2 secs Computing kpt #: 269 total cpu time spent up to now is 439.2 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.5 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.8 secs Computing kpt #: 272 total cpu time spent up to now is 448.5 secs Computing kpt #: 273 total cpu time spent up to now is 450.6 secs Computing kpt #: 274 total cpu time spent up to now is 453.6 secs Computing kpt #: 275 total cpu time spent up to now is 455.8 secs Computing kpt #: 276 total cpu time spent up to now is 458.2 secs Computing kpt #: 277 total cpu time spent up to now is 460.1 secs Computing kpt #: 278 total cpu time spent up to now is 462.2 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.3 secs Computing kpt #: 280 total cpu time spent up to now is 467.2 secs Computing kpt #: 281 total cpu time spent up to now is 469.3 secs Computing kpt #: 282 total cpu time spent up to now is 471.3 secs Computing kpt #: 283 total cpu time spent up to now is 474.4 secs Computing kpt #: 284 total cpu time spent up to now is 477.0 secs Computing kpt #: 285 total cpu time spent up to now is 478.8 secs Computing kpt #: 286 total cpu time spent up to now is 480.4 secs Computing kpt #: 287 total cpu time spent up to now is 482.7 secs Computing kpt #: 288 total cpu time spent up to now is 484.7 secs Computing kpt #: 289 total cpu time spent up to now is 486.4 secs Computing kpt #: 290 total cpu time spent up to now is 487.7 secs Computing kpt #: 291 total cpu time spent up to now is 489.4 secs Computing kpt #: 292 total cpu time spent up to now is 490.7 secs Computing kpt #: 293 total cpu time spent up to now is 492.3 secs Computing kpt #: 294 total cpu time spent up to now is 493.7 secs Computing kpt #: 295 total cpu time spent up to now is 495.3 secs Computing kpt #: 296 total cpu time spent up to now is 496.6 secs Computing kpt #: 297 total cpu time spent up to now is 497.8 secs Computing kpt #: 298 total cpu time spent up to now is 499.1 secs Computing kpt #: 299 total cpu time spent up to now is 500.4 secs Computing kpt #: 300 total cpu time spent up to now is 501.7 secs Computing kpt #: 301 total cpu time spent up to now is 502.9 secs Computing kpt #: 302 total cpu time spent up to now is 504.1 secs Computing kpt #: 303 total cpu time spent up to now is 505.3 secs Computing kpt #: 304 total cpu time spent up to now is 506.5 secs Computing kpt #: 305 total cpu time spent up to now is 507.7 secs Computing kpt #: 306 total cpu time spent up to now is 508.9 secs Computing kpt #: 307 total cpu time spent up to now is 510.3 secs Computing kpt #: 308 total cpu time spent up to now is 511.7 secs Computing kpt #: 309 total cpu time spent up to now is 513.2 secs Computing kpt #: 310 total cpu time spent up to now is 514.4 secs Computing kpt #: 311 total cpu time spent up to now is 515.5 secs Computing kpt #: 312 total cpu time spent up to now is 516.7 secs Computing kpt #: 313 total cpu time spent up to now is 517.9 secs Computing kpt #: 314 total cpu time spent up to now is 519.2 secs Computing kpt #: 315 total cpu time spent up to now is 520.5 secs Computing kpt #: 316 total cpu time spent up to now is 521.6 secs Computing kpt #: 317 total cpu time spent up to now is 522.7 secs Computing kpt #: 318 total cpu time spent up to now is 523.9 secs Computing kpt #: 319 total cpu time spent up to now is 525.3 secs Computing kpt #: 320 total cpu time spent up to now is 526.4 secs Computing kpt #: 321 total cpu time spent up to now is 527.5 secs Computing kpt #: 322 total cpu time spent up to now is 528.8 secs Computing kpt #: 323 total cpu time spent up to now is 529.9 secs Computing kpt #: 324 total cpu time spent up to now is 531.0 secs Computing kpt #: 325 total cpu time spent up to now is 532.3 secs Computing kpt #: 326 total cpu time spent up to now is 533.3 secs Computing kpt #: 327 total cpu time spent up to now is 534.3 secs Computing kpt #: 328 total cpu time spent up to now is 535.3 secs Computing kpt #: 329 total cpu time spent up to now is 536.4 secs Computing kpt #: 330 total cpu time spent up to now is 537.5 secs Computing kpt #: 331 total cpu time spent up to now is 538.5 secs Computing kpt #: 332 total cpu time spent up to now is 539.6 secs Computing kpt #: 333 total cpu time spent up to now is 540.6 secs Computing kpt #: 334 total cpu time spent up to now is 541.7 secs Computing kpt #: 335 total cpu time spent up to now is 542.6 secs Computing kpt #: 336 total cpu time spent up to now is 543.7 secs Computing kpt #: 337 total cpu time spent up to now is 544.8 secs Computing kpt #: 338 total cpu time spent up to now is 545.8 secs Computing kpt #: 339 total cpu time spent up to now is 546.8 secs Computing kpt #: 340 total cpu time spent up to now is 547.9 secs Computing kpt #: 341 total cpu time spent up to now is 549.2 secs Computing kpt #: 342 total cpu time spent up to now is 550.5 secs Computing kpt #: 343 total cpu time spent up to now is 551.7 secs Computing kpt #: 344 total cpu time spent up to now is 553.0 secs Computing kpt #: 345 total cpu time spent up to now is 554.4 secs Computing kpt #: 346 total cpu time spent up to now is 555.8 secs Computing kpt #: 347 total cpu time spent up to now is 557.3 secs Computing kpt #: 348 total cpu time spent up to now is 558.7 secs Computing kpt #: 349 total cpu time spent up to now is 560.1 secs Computing kpt #: 350 total cpu time spent up to now is 561.5 secs Computing kpt #: 351 total cpu time spent up to now is 563.0 secs Computing kpt #: 352 total cpu time spent up to now is 564.6 secs Computing kpt #: 353 total cpu time spent up to now is 566.1 secs Computing kpt #: 354 total cpu time spent up to now is 567.9 secs Computing kpt #: 355 total cpu time spent up to now is 569.6 secs Computing kpt #: 356 total cpu time spent up to now is 571.2 secs Computing kpt #: 357 total cpu time spent up to now is 572.9 secs Computing kpt #: 358 total cpu time spent up to now is 574.9 secs Computing kpt #: 359 total cpu time spent up to now is 576.9 secs Computing kpt #: 360 total cpu time spent up to now is 578.9 secs Computing kpt #: 361 total cpu time spent up to now is 580.9 secs Computing kpt #: 362 total cpu time spent up to now is 583.1 secs Computing kpt #: 363 total cpu time spent up to now is 585.3 secs Computing kpt #: 364 total cpu time spent up to now is 587.8 secs Computing kpt #: 365 total cpu time spent up to now is 590.3 secs Computing kpt #: 366 total cpu time spent up to now is 592.6 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.7 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.9 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.1 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.2 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.4 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.5 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.6 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.8 secs Computing kpt #: 375 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.9 secs Computing kpt #: 376 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.0 secs Computing kpt #: 377 total cpu time spent up to now is 627.9 secs Computing kpt #: 378 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 630.8 secs Computing kpt #: 379 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 633.7 secs Computing kpt #: 380 total cpu time spent up to now is 636.5 secs Computing kpt #: 381 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 639.7 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.8 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.0 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.2 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 652.3 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.5 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.8 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 661.9 secs Computing kpt #: 389 total cpu time spent up to now is 664.8 secs Computing kpt #: 390 total cpu time spent up to now is 667.4 secs Computing kpt #: 391 total cpu time spent up to now is 669.5 secs Computing kpt #: 392 total cpu time spent up to now is 671.9 secs Computing kpt #: 393 total cpu time spent up to now is 674.0 secs Computing kpt #: 394 total cpu time spent up to now is 676.0 secs Computing kpt #: 395 total cpu time spent up to now is 678.0 secs Computing kpt #: 396 total cpu time spent up to now is 679.8 secs Computing kpt #: 397 total cpu time spent up to now is 681.7 secs Computing kpt #: 398 total cpu time spent up to now is 683.6 secs Computing kpt #: 399 total cpu time spent up to now is 685.4 secs Computing kpt #: 400 total cpu time spent up to now is 687.1 secs Computing kpt #: 401 total cpu time spent up to now is 688.7 secs Computing kpt #: 402 total cpu time spent up to now is 690.3 secs Computing kpt #: 403 total cpu time spent up to now is 691.9 secs Computing kpt #: 404 total cpu time spent up to now is 693.5 secs Computing kpt #: 405 total cpu time spent up to now is 694.9 secs Computing kpt #: 406 total cpu time spent up to now is 696.4 secs Computing kpt #: 407 total cpu time spent up to now is 697.8 secs Computing kpt #: 408 total cpu time spent up to now is 699.2 secs Computing kpt #: 409 total cpu time spent up to now is 700.4 secs Computing kpt #: 410 total cpu time spent up to now is 701.9 secs Computing kpt #: 411 total cpu time spent up to now is 703.1 secs Computing kpt #: 412 total cpu time spent up to now is 704.2 secs Computing kpt #: 413 total cpu time spent up to now is 705.3 secs Computing kpt #: 414 total cpu time spent up to now is 706.5 secs Computing kpt #: 415 total cpu time spent up to now is 707.6 secs Computing kpt #: 416 total cpu time spent up to now is 708.8 secs Computing kpt #: 417 total cpu time spent up to now is 709.9 secs Computing kpt #: 418 total cpu time spent up to now is 710.9 secs Computing kpt #: 419 total cpu time spent up to now is 712.0 secs Computing kpt #: 420 total cpu time spent up to now is 713.3 secs Computing kpt #: 421 total cpu time spent up to now is 714.5 secs Computing kpt #: 422 total cpu time spent up to now is 715.8 secs Computing kpt #: 423 total cpu time spent up to now is 717.0 secs Computing kpt #: 424 total cpu time spent up to now is 718.3 secs Computing kpt #: 425 total cpu time spent up to now is 719.5 secs Computing kpt #: 426 total cpu time spent up to now is 720.6 secs Computing kpt #: 427 total cpu time spent up to now is 721.9 secs Computing kpt #: 428 total cpu time spent up to now is 723.3 secs Computing kpt #: 429 total cpu time spent up to now is 724.4 secs Computing kpt #: 430 total cpu time spent up to now is 725.8 secs Computing kpt #: 431 total cpu time spent up to now is 727.0 secs Computing kpt #: 432 total cpu time spent up to now is 728.3 secs Computing kpt #: 433 total cpu time spent up to now is 729.5 secs Computing kpt #: 434 total cpu time spent up to now is 730.7 secs Computing kpt #: 435 total cpu time spent up to now is 731.9 secs Computing kpt #: 436 total cpu time spent up to now is 733.1 secs Computing kpt #: 437 total cpu time spent up to now is 734.3 secs Computing kpt #: 438 total cpu time spent up to now is 735.6 secs Computing kpt #: 439 total cpu time spent up to now is 736.8 secs Computing kpt #: 440 total cpu time spent up to now is 738.2 secs Computing kpt #: 441 total cpu time spent up to now is 739.5 secs Computing kpt #: 442 total cpu time spent up to now is 740.7 secs Computing kpt #: 443 total cpu time spent up to now is 742.1 secs Computing kpt #: 444 total cpu time spent up to now is 743.3 secs Computing kpt #: 445 total cpu time spent up to now is 744.5 secs Computing kpt #: 446 total cpu time spent up to now is 746.1 secs Computing kpt #: 447 total cpu time spent up to now is 747.7 secs Computing kpt #: 448 total cpu time spent up to now is 749.2 secs Computing kpt #: 449 total cpu time spent up to now is 750.4 secs Computing kpt #: 450 total cpu time spent up to now is 751.7 secs Computing kpt #: 451 total cpu time spent up to now is 752.9 secs Computing kpt #: 452 total cpu time spent up to now is 754.5 secs Computing kpt #: 453 total cpu time spent up to now is 755.8 secs Computing kpt #: 454 total cpu time spent up to now is 757.4 secs Computing kpt #: 455 total cpu time spent up to now is 759.1 secs Computing kpt #: 456 total cpu time spent up to now is 760.8 secs Computing kpt #: 457 total cpu time spent up to now is 762.5 secs Computing kpt #: 458 total cpu time spent up to now is 764.2 secs Computing kpt #: 459 total cpu time spent up to now is 766.2 secs Computing kpt #: 460 total cpu time spent up to now is 767.9 secs Computing kpt #: 461 total cpu time spent up to now is 769.9 secs Computing kpt #: 462 total cpu time spent up to now is 772.2 secs Computing kpt #: 463 total cpu time spent up to now is 774.4 secs Computing kpt #: 464 total cpu time spent up to now is 776.3 secs Computing kpt #: 465 total cpu time spent up to now is 778.5 secs Computing kpt #: 466 total cpu time spent up to now is 780.5 secs Computing kpt #: 467 total cpu time spent up to now is 782.9 secs Computing kpt #: 468 total cpu time spent up to now is 785.2 secs Computing kpt #: 469 total cpu time spent up to now is 787.6 secs Computing kpt #: 470 total cpu time spent up to now is 790.4 secs Computing kpt #: 471 total cpu time spent up to now is 793.4 secs Computing kpt #: 472 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 796.4 secs Computing kpt #: 473 total cpu time spent up to now is 799.4 secs Computing kpt #: 474 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.5 secs Computing kpt #: 475 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 805.5 secs Computing kpt #: 476 total cpu time spent up to now is 808.3 secs ethr = 2.50E-11, avg # of iterations = 43.2 total cpu time spent up to now is 808.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0313 -46.0313 -22.7395 -22.7395 -22.1011 -22.1011 -22.0641 -22.0641 -14.4506 -14.4506 -6.5353 -6.5353 -5.9094 -5.9094 -5.8243 -5.8243 -0.9907 -0.9907 0.9236 0.9236 0.9292 0.9292 7.9321 7.9321 8.1402 8.1402 8.1577 8.1577 8.9764 8.9764 8.9931 8.9931 9.1909 9.1909 9.8282 9.8282 9.9347 9.9347 9.9962 9.9962 12.4751 12.4751 12.6103 12.6103 12.7374 12.7374 14.6326 14.6326 k = 0.0089 0.0089-0.0000 ( 2781 PWs) bands (ev): -46.0313 -46.0313 -22.7396 -22.7395 -22.1012 -22.1011 -22.0642 -22.0641 -14.4504 -14.4504 -6.5354 -6.5352 -5.9097 -5.9091 -5.8244 -5.8242 -0.9905 -0.9901 0.9234 0.9248 0.9293 0.9298 7.9286 7.9332 8.1351 8.1416 8.1559 8.1580 8.9735 8.9753 8.9908 8.9922 9.1882 9.1904 9.8193 9.8343 9.9322 9.9329 9.9877 10.0043 12.4757 12.4769 12.6114 12.6126 12.7375 12.7396 14.6336 14.6339 k = 0.0178 0.0179-0.0000 ( 2779 PWs) bands (ev): -46.0313 -46.0313 -22.7397 -22.7396 -22.1014 -22.1012 -22.0642 -22.0641 -14.4499 -14.4499 -6.5355 -6.5350 -5.9099 -5.9088 -5.8245 -5.8241 -0.9897 -0.9888 0.9239 0.9267 0.9304 0.9312 7.9228 7.9319 8.1263 8.1391 8.1526 8.1565 8.9664 8.9701 8.9854 8.9879 9.1826 9.1870 9.8075 9.8377 9.9251 9.9267 9.9802 10.0106 12.4787 12.4811 12.6160 12.6185 12.7400 12.7441 14.6369 14.6375 k = 0.0267 0.0268-0.0000 ( 2773 PWs) bands (ev): -46.0313 -46.0313 -22.7398 -22.7396 -22.1016 -22.1013 -22.0642 -22.0641 -14.4490 -14.4490 -6.5356 -6.5348 -5.9100 -5.9083 -5.8246 -5.8240 -0.9881 -0.9867 0.9249 0.9282 0.9334 0.9338 7.9144 7.9282 8.1139 8.1328 8.1479 8.1534 8.9548 8.9607 8.9769 8.9803 9.1748 9.1811 9.7926 9.8385 9.9104 9.9189 9.9746 10.0146 12.4842 12.4876 12.6242 12.6277 12.7450 12.7510 14.6425 14.6434 k = 0.0356 0.0357-0.0000 ( 2765 PWs) bands (ev): -46.0313 -46.0313 -22.7400 -22.7397 -22.1019 -22.1015 -22.0643 -22.0641 -14.4478 -14.4478 -6.5356 -6.5346 -5.9101 -5.9079 -5.8247 -5.8239 -0.9859 -0.9841 0.9261 0.9294 0.9377 0.9383 7.9033 7.9219 8.0981 8.1229 8.1419 8.1486 8.9384 8.9468 8.9655 8.9693 9.1657 9.1737 9.7746 9.8368 9.8894 9.9092 9.9700 10.0162 12.4921 12.4965 12.6356 12.6402 12.7524 12.7603 14.6503 14.6514 k = 0.0445 0.0446-0.0000 ( 2769 PWs) bands (ev): -46.0312 -46.0312 -22.7402 -22.7399 -22.1023 -22.1018 -22.0644 -22.0642 -14.4463 -14.4462 -6.5356 -6.5344 -5.9101 -5.9073 -5.8247 -5.8237 -0.9831 -0.9807 0.9274 0.9305 0.9431 0.9447 7.8893 7.9127 8.0790 8.1096 8.1344 8.1422 8.9170 8.9278 8.9512 8.9549 9.1563 9.1656 9.7533 9.8326 9.8633 9.8977 9.9653 10.0150 12.5025 12.5078 12.6504 12.6559 12.7624 12.7721 14.6603 14.6616 k = 0.0534 0.0536-0.0000 ( 2765 PWs) bands (ev): -46.0312 -46.0312 -22.7405 -22.7401 -22.1028 -22.1021 -22.0645 -22.0643 -14.4444 -14.4443 -6.5355 -6.5341 -5.9100 -5.9068 -5.8246 -5.8235 -0.9796 -0.9768 0.9287 0.9319 0.9499 0.9524 7.8722 7.9004 8.0570 8.0932 8.1256 8.1344 8.8904 8.9037 8.9341 8.9376 9.1475 9.1576 9.7289 9.8261 9.8330 9.8846 9.9595 10.0110 12.5154 12.5214 12.6682 12.6745 12.7751 12.7864 14.6722 14.6738 k = 0.0623 0.0625-0.0000 ( 2769 PWs) bands (ev): -46.0312 -46.0312 -22.7409 -22.7404 -22.1034 -22.1026 -22.0646 -22.0644 -14.4421 -14.4420 -6.5355 -6.5338 -5.9099 -5.9061 -5.8245 -5.8231 -0.9756 -0.9723 0.9301 0.9334 0.9579 0.9613 7.8518 7.8845 8.0325 8.0738 8.1155 8.1251 8.8590 8.8743 8.9143 8.9175 9.1398 9.1503 9.7013 9.7990 9.8174 9.8700 9.9521 10.0044 12.5307 12.5374 12.6889 12.6959 12.7906 12.8034 14.6861 14.6878 k = 0.0712 0.0714-0.0000 ( 2781 PWs) bands (ev): -46.0312 -46.0312 -22.7413 -22.7408 -22.1041 -22.1032 -22.0648 -22.0646 -14.4396 -14.4395 -6.5354 -6.5335 -5.9097 -5.9055 -5.8242 -5.8227 -0.9710 -0.9673 0.9317 0.9352 0.9671 0.9712 7.8278 7.8645 8.0059 8.0517 8.1043 8.1146 8.8232 8.8402 8.8921 8.8950 9.1336 9.1440 9.6707 9.7619 9.8065 9.8539 9.9429 9.9950 12.5485 12.5557 12.7124 12.7200 12.8090 12.8232 14.7016 14.7035 k = 0.0801 0.0804-0.0000 ( 2771 PWs) bands (ev): -46.0312 -46.0312 -22.7417 -22.7411 -22.1047 -22.1038 -22.0650 -22.0647 -14.4367 -14.4366 -6.5352 -6.5331 -5.9095 -5.9047 -5.8237 -5.8220 -0.9660 -0.9619 0.9335 0.9371 0.9772 0.9821 7.8003 7.8400 7.9778 8.0268 8.0923 8.1029 8.7835 8.8020 8.8675 8.8702 9.1287 9.1388 9.6375 9.7219 9.7936 9.8364 9.9318 9.9832 12.5686 12.5763 12.7384 12.7465 12.8302 12.8456 14.7188 14.7208 k = 0.0891 0.0893-0.0000 ( 2767 PWs) bands (ev): -46.0311 -46.0311 -22.7421 -22.7415 -22.1055 -22.1044 -22.0651 -22.0648 -14.4336 -14.4335 -6.5350 -6.5327 -5.9091 -5.9040 -5.8230 -5.8212 -0.9606 -0.9560 0.9354 0.9392 0.9883 0.9939 7.7690 7.8107 7.9484 7.9991 8.0795 8.0904 8.7407 8.7605 8.8407 8.8433 9.1251 9.1348 9.6020 9.6794 9.7788 9.8175 9.9190 9.9691 12.5911 12.5991 12.7668 12.7752 12.8543 12.8707 14.7374 14.7394 k = 0.0980 0.0982-0.0000 ( 2775 PWs) bands (ev): -46.0311 -46.0311 -22.7427 -22.7420 -22.1064 -22.1052 -22.0654 -22.0650 -14.4302 -14.4301 -6.5347 -6.5322 -5.9088 -5.9032 -5.8221 -5.8201 -0.9549 -0.9499 0.9375 0.9416 1.0001 1.0063 7.7342 7.7766 7.9178 7.9688 8.0662 8.0771 8.6953 8.7164 8.8120 8.8144 9.1227 9.1317 9.5644 9.6349 9.7623 9.7971 9.9047 9.9532 12.6158 12.6241 12.7973 12.8060 12.8811 12.8984 14.7572 14.7593 k = 0.1069 0.1071-0.0000 ( 2779 PWs) bands (ev): -46.0311 -46.0311 -22.7432 -22.7425 -22.1073 -22.1061 -22.0656 -22.0653 -14.4265 -14.4264 -6.5343 -6.5316 -5.9084 -5.9023 -5.8209 -5.8188 -0.9488 -0.9434 0.9397 0.9441 1.0126 1.0193 7.6960 7.7379 7.8857 7.9357 8.0525 8.0633 8.6481 8.6702 8.7815 8.7839 9.1212 9.1296 9.5251 9.5886 9.7442 9.7754 9.8891 9.9358 12.6426 12.6512 12.8297 12.8386 12.9107 12.9287 14.7781 14.7803 k = 0.1158 0.1161-0.0000 ( 2765 PWs) bands (ev): -46.0310 -46.0310 -22.7437 -22.7429 -22.1082 -22.1069 -22.0658 -22.0654 -14.4226 -14.4224 -6.5338 -6.5310 -5.9079 -5.9015 -5.8195 -5.8172 -0.9426 -0.9368 0.9421 0.9468 1.0255 1.0327 7.6545 7.6952 7.8519 7.8998 8.0385 8.0491 8.5994 8.6226 8.7495 8.7518 9.1205 9.1283 9.4846 9.5411 9.7246 9.7523 9.8726 9.9174 12.6715 12.6802 12.8639 12.8729 12.9428 12.9613 14.7999 14.8021 k = 0.1247 0.1250-0.0000 ( 2765 PWs) bands (ev): -46.0310 -46.0310 -22.7444 -22.7435 -22.1092 -22.1078 -22.0660 -22.0656 -14.4184 -14.4183 -6.5331 -6.5302 -5.9073 -5.9006 -5.8177 -5.8153 -0.9363 -0.9300 0.9446 0.9496 1.0387 1.0463 7.6103 7.6490 7.8161 7.8612 8.0243 8.0347 8.5496 8.5738 8.7161 8.7183 9.1204 9.1277 9.4431 9.4928 9.7035 9.7279 9.8557 9.8985 12.7024 12.7112 12.8995 12.9086 12.9773 12.9963 14.8224 14.8247 k = 0.1336 0.1339-0.0000 ( 2759 PWs) bands (ev): -46.0309 -46.0309 -22.7450 -22.7441 -22.1103 -22.1088 -22.0663 -22.0658 -14.4140 -14.4139 -6.5323 -6.5292 -5.9067 -5.8996 -5.8156 -5.8131 -0.9298 -0.9232 0.9472 0.9526 1.0521 1.0601 7.5636 7.6001 7.7779 7.8200 8.0099 8.0201 8.4991 8.5242 8.6815 8.6836 9.1207 9.1274 9.4012 9.4443 9.6811 9.7023 9.8389 9.8796 12.7351 12.7440 12.9365 12.9457 13.0141 13.0333 14.8456 14.8478 k = 0.1425 0.1429-0.0000 ( 2763 PWs) bands (ev): -46.0309 -46.0309 -22.7457 -22.7447 -22.1114 -22.1099 -22.0666 -22.0661 -14.4095 -14.4093 -6.5313 -6.5281 -5.9060 -5.8987 -5.8132 -5.8106 -0.9234 -0.9163 0.9500 0.9558 1.0654 1.0738 7.5147 7.5489 7.7374 7.7761 7.9952 8.0055 8.4481 8.4739 8.6459 8.6480 9.1209 9.1272 9.3596 9.3964 9.6574 9.6755 9.8224 9.8611 12.7695 12.7784 12.9747 12.9838 13.0528 13.0722 14.8692 14.8714 k = 0.1514 0.1518-0.0000 ( 2763 PWs) bands (ev): -46.0309 -46.0309 -22.7464 -22.7454 -22.1126 -22.1110 -22.0669 -22.0664 -14.4047 -14.4046 -6.5301 -6.5268 -5.9053 -5.8977 -5.8105 -5.8078 -0.9170 -0.9096 0.9528 0.9591 1.0786 1.0873 7.4641 7.4959 7.6945 7.7299 7.9804 7.9908 8.3967 8.4230 8.6095 8.6115 9.1205 9.1262 9.3194 9.3501 9.6325 9.6478 9.8068 9.8436 12.8056 12.8145 13.0138 13.0228 13.0934 13.1129 14.8931 14.8952 k = 0.1603 0.1607-0.0000 ( 2762 PWs) bands (ev): -46.0308 -46.0308 -22.7471 -22.7461 -22.1138 -22.1121 -22.0671 -22.0666 -14.3998 -14.3997 -6.5286 -6.5251 -5.9045 -5.8966 -5.8075 -5.8047 -0.9106 -0.9029 0.9558 0.9625 1.0915 1.1003 7.4122 7.4417 7.6493 7.6815 7.9654 7.9760 8.3450 8.3715 8.5724 8.5744 9.1182 9.1231 9.2823 9.3071 9.6063 9.6192 9.7924 9.8272 12.8431 12.8520 13.0537 13.0627 13.1357 13.1551 14.9172 14.9193 k = 0.1692 0.1696-0.0000 ( 2758 PWs) bands (ev): -46.0308 -46.0308 -22.7479 -22.7468 -22.1150 -22.1133 -22.0674 -22.0669 -14.3948 -14.3947 -6.5267 -6.5232 -5.9037 -5.8956 -5.8041 -5.8013 -0.9045 -0.8964 0.9588 0.9660 1.1039 1.1129 7.3593 7.3865 7.6020 7.6312 7.9502 7.9612 8.2929 8.3194 8.5349 8.5368 9.1119 9.1156 9.2511 9.2700 9.5791 9.5897 9.7796 9.8124 12.8819 12.8908 13.0942 13.1031 13.1794 13.1987 14.9413 14.9433 k = 0.1781 0.1786-0.0000 ( 2754 PWs) bands (ev): -46.0307 -46.0307 -22.7486 -22.7475 -22.1163 -22.1145 -22.0677 -22.0672 -14.3897 -14.3895 -6.5245 -6.5209 -5.9028 -5.8945 -5.8005 -5.7977 -0.8985 -0.8901 0.9618 0.9696 1.1157 1.1247 7.3057 7.3309 7.5528 7.5791 7.9346 7.9463 8.2406 8.2666 8.4970 8.4988 9.0987 9.1007 9.2292 9.2421 9.5507 9.5595 9.7686 9.7995 12.9220 12.9308 13.1351 13.1439 13.2243 13.2434 14.9653 14.9673 k = 0.1870 0.1875-0.0000 ( 2752 PWs) bands (ev): -46.0307 -46.0307 -22.7494 -22.7482 -22.1176 -22.1157 -22.0680 -22.0675 -14.3844 -14.3843 -6.5219 -6.5182 -5.9019 -5.8934 -5.7967 -5.7938 -0.8927 -0.8840 0.9648 0.9732 1.1267 1.1357 7.2518 7.2750 7.5021 7.5257 7.9187 7.9314 8.1880 8.2129 8.4589 8.4607 9.0772 9.0777 9.2178 9.2256 9.5214 9.5285 9.7597 9.7885 12.9631 12.9718 13.1764 13.1850 13.2703 13.2891 14.9892 14.9911 k = 0.1959 0.1964-0.0000 ( 2748 PWs) bands (ev): -46.0306 -46.0306 -22.7502 -22.7490 -22.1189 -22.1170 -22.0683 -22.0678 -14.3791 -14.3789 -6.5188 -6.5151 -5.9009 -5.8923 -5.7927 -5.7897 -0.8873 -0.8783 0.9678 0.9768 1.1369 1.1457 7.1978 7.2193 7.4501 7.4712 7.9022 7.9164 8.1351 8.1582 8.4207 8.4224 9.0493 9.0493 9.2148 9.2189 9.4911 9.4969 9.7529 9.7797 13.0052 13.0138 13.2178 13.2263 13.3171 13.3357 15.0128 15.0146 k = 0.2048 0.2054-0.0000 ( 2744 PWs) bands (ev): -46.0306 -46.0306 -22.7510 -22.7498 -22.1202 -22.1183 -22.0686 -22.0681 -14.3737 -14.3736 -6.5152 -6.5115 -5.8999 -5.8911 -5.7885 -5.7855 -0.8822 -0.8728 0.9708 0.9804 1.1461 1.1546 7.1439 7.1638 7.3970 7.4159 7.8851 7.9014 8.0820 8.1024 8.3827 8.3843 9.0189 9.0190 9.2169 9.2187 9.4600 9.4648 9.7482 9.7731 13.0481 13.0566 13.2592 13.2676 13.3647 13.3828 15.0360 15.0378 k = 0.2137 0.2143-0.0000 ( 2748 PWs) bands (ev): -46.0305 -46.0305 -22.7518 -22.7506 -22.1216 -22.1196 -22.0690 -22.0684 -14.3683 -14.3682 -6.5110 -6.5073 -5.8988 -5.8900 -5.7842 -5.7812 -0.8774 -0.8678 0.9736 0.9840 1.1543 1.1625 7.0905 7.1089 7.3432 7.3600 7.8667 7.8863 8.0292 8.0455 8.3447 8.3463 8.9890 8.9896 9.2222 9.2224 9.4283 9.4323 9.7458 9.7688 13.0917 13.1000 13.3005 13.3087 13.4127 13.4305 15.0588 15.0605 k = 0.2226 0.2232-0.0000 ( 2748 PWs) bands (ev): -46.0305 -46.0305 -22.7527 -22.7514 -22.1230 -22.1210 -22.0693 -22.0687 -14.3629 -14.3628 -6.5062 -6.5025 -5.8977 -5.8888 -5.7799 -5.7768 -0.8730 -0.8632 0.9762 0.9875 1.1614 1.1691 7.0376 7.0548 7.2889 7.3038 7.8461 7.8711 7.9775 7.9874 8.3071 8.3087 8.9616 8.9626 9.2283 9.2293 9.3961 9.3994 9.7456 9.7668 13.1358 13.1439 13.3415 13.3496 13.4612 13.4785 15.0811 15.0827 k = 0.2315 0.2321-0.0000 ( 2746 PWs) bands (ev): -46.0304 -46.0304 -22.7535 -22.7522 -22.1244 -22.1223 -22.0696 -22.0690 -14.3575 -14.3574 -6.5008 -6.4970 -5.8966 -5.8876 -5.7757 -5.7725 -0.8690 -0.8590 0.9787 0.9908 1.1674 1.1745 6.9855 7.0015 7.2344 7.2475 7.8214 7.8556 7.9282 7.9290 8.2699 8.2714 8.9378 8.9389 9.2356 9.2376 9.3636 9.3664 9.7476 9.7669 13.1803 13.1883 13.3823 13.3902 13.5098 13.5266 15.1028 15.1043 k = 0.2404 0.2411-0.0000 ( 2746 PWs) bands (ev): -46.0304 -46.0304 -22.7544 -22.7531 -22.1258 -22.1237 -22.0699 -22.0693 -14.3521 -14.3520 -6.4947 -6.4909 -5.8954 -5.8864 -5.7715 -5.7683 -0.8654 -0.8552 0.9809 0.9939 1.1723 1.1787 6.9343 6.9492 7.1799 7.1915 7.7890 7.8391 7.8689 7.8871 8.2331 8.2346 8.9183 8.9192 9.2433 9.2463 9.3313 9.3338 9.7516 9.7692 13.2250 13.2328 13.4225 13.4303 13.5585 13.5748 15.1238 15.1252 k = 0.2493 0.2500-0.0000 ( 2746 PWs) bands (ev): -46.0303 -46.0303 -22.7552 -22.7539 -22.1272 -22.1251 -22.0703 -22.0697 -14.3468 -14.3466 -6.4879 -6.4841 -5.8943 -5.8852 -5.7674 -5.7642 -0.8623 -0.8519 0.9827 0.9967 1.1762 1.1818 6.8840 6.8981 7.1256 7.1358 7.7465 7.8020 7.8291 7.8545 8.1970 8.1985 8.9036 8.9041 9.2500 9.2537 9.3007 9.3031 9.7577 9.7735 13.2699 13.2775 13.4623 13.4699 13.6071 13.6229 15.1442 15.1455 k = 0.2582 0.2589-0.0000 ( 2746 PWs) bands (ev): -46.0303 -46.0303 -22.7561 -22.7548 -22.1286 -22.1264 -22.0706 -22.0700 -14.3415 -14.3413 -6.4803 -6.4765 -5.8931 -5.8840 -5.7636 -5.7604 -0.8596 -0.8490 0.9841 0.9992 1.1791 1.1838 6.8350 6.8482 7.0717 7.0807 7.6956 7.7411 7.8124 7.8294 8.1614 8.1629 8.8937 8.8939 9.2469 9.2500 9.2802 9.2840 9.7655 9.7797 13.3147 13.3222 13.5014 13.5088 13.6555 13.6707 15.1639 15.1651 k = 0.2672 0.2679-0.0000 ( 2746 PWs) bands (ev): -46.0302 -46.0302 -22.7569 -22.7556 -22.1299 -22.1278 -22.0709 -22.0703 -14.3363 -14.3361 -6.4719 -6.4682 -5.8919 -5.8828 -5.7601 -5.7568 -0.8573 -0.8467 0.9849 1.0012 1.1812 1.1848 6.7871 6.7996 7.0185 7.0263 7.6398 7.6781 7.7971 7.8088 8.1267 8.1281 8.8883 8.8894 9.2224 9.2245 9.2815 9.2873 9.7752 9.7878 13.3594 13.3667 13.5397 13.5470 13.7034 13.7181 15.1828 15.1839 k = 0.2761 0.2768-0.0000 ( 2742 PWs) bands (ev): -46.0301 -46.0301 -22.7577 -22.7564 -22.1313 -22.1292 -22.0712 -22.0706 -14.3312 -14.3310 -6.4628 -6.4590 -5.8906 -5.8816 -5.7569 -5.7536 -0.8555 -0.8448 0.9852 1.0026 1.1826 1.1850 6.7405 6.7524 6.9660 6.9729 7.5813 7.6144 7.7821 7.7906 8.0926 8.0941 8.8878 8.8899 9.1913 9.1930 9.2899 9.2970 9.7864 9.7974 13.4038 13.4109 13.5773 13.5844 13.7509 13.7650 15.2009 15.2019 k = 0.2850 0.2857-0.0000 ( 2746 PWs) bands (ev): -46.0301 -46.0301 -22.7586 -22.7573 -22.1326 -22.1305 -22.0715 -22.0709 -14.3262 -14.3260 -6.4528 -6.4491 -5.8894 -5.8804 -5.7542 -5.7509 -0.8542 -0.8434 0.9848 1.0033 1.1833 1.1846 6.6953 6.7066 6.9146 6.9206 7.5214 7.5505 7.7674 7.7738 8.0595 8.0610 8.8921 8.8954 9.1591 9.1607 9.2997 9.3081 9.7990 9.8086 13.4478 13.4546 13.6140 13.6209 13.7977 13.8113 15.2182 15.2191 k = 0.2939 0.2946-0.0000 ( 2742 PWs) bands (ev): -46.0300 -46.0300 -22.7594 -22.7581 -22.1339 -22.1319 -22.0718 -22.0712 -14.3213 -14.3211 -6.4420 -6.4383 -5.8882 -5.8792 -5.7519 -5.7486 -0.8533 -0.8424 0.9836 1.0032 1.1837 1.1837 6.6515 6.6622 6.8643 6.8695 7.4608 7.4866 7.7529 7.7578 8.0272 8.0287 8.9011 8.9057 9.1270 9.1284 9.3101 9.3198 9.8130 9.8211 13.4912 13.4978 13.6498 13.6564 13.8437 13.8567 15.2346 15.2355 k = 0.3028 0.3036-0.0000 ( 2734 PWs) bands (ev): -46.0300 -46.0300 -22.7601 -22.7589 -22.1352 -22.1332 -22.0720 -22.0715 -14.3165 -14.3164 -6.4304 -6.4268 -5.8869 -5.8780 -5.7502 -5.7469 -0.8528 -0.8420 0.9816 1.0023 1.1825 1.1837 6.6092 6.6194 6.8152 6.8197 7.4002 7.4231 7.7387 7.7426 7.9960 7.9974 8.9146 8.9206 9.0952 9.0966 9.3206 9.3316 9.8280 9.8349 13.5340 13.5403 13.6845 13.6909 13.8888 13.9012 15.2502 15.2510 k = 0.3117 0.3125-0.0000 ( 2738 PWs) bands (ev): -46.0299 -46.0299 -22.7609 -22.7597 -22.1365 -22.1345 -22.0723 -22.0718 -14.3119 -14.3118 -6.4180 -6.4144 -5.8857 -5.8769 -5.7492 -5.7459 -0.8527 -0.8419 0.9788 1.0003 1.1813 1.1837 6.5684 6.5781 6.7677 6.7715 7.3398 7.3602 7.7247 7.7279 7.9656 7.9671 8.9322 8.9397 9.0641 9.0654 9.3311 9.3436 9.8440 9.8496 13.5759 13.5819 13.7181 13.7243 13.9328 13.9446 15.2650 15.2657 k = 0.3206 0.3214-0.0000 ( 2736 PWs) bands (ev): -46.0299 -46.0299 -22.7617 -22.7605 -22.1377 -22.1357 -22.0726 -22.0720 -14.3075 -14.3073 -6.4048 -6.4012 -5.8845 -5.8757 -5.7488 -5.7455 -0.8530 -0.8423 0.9750 0.9973 1.1802 1.1836 6.5292 6.5383 6.7217 6.7249 7.2800 7.2983 7.7111 7.7137 7.9364 7.9379 8.9534 8.9626 9.0336 9.0351 9.3416 9.3557 9.8608 9.8651 13.6168 13.6226 13.7506 13.7566 13.9756 13.9868 15.2789 15.2795 k = 0.3295 0.3304-0.0000 ( 2740 PWs) bands (ev): -46.0298 -46.0298 -22.7625 -22.7613 -22.1389 -22.1370 -22.0729 -22.0723 -14.3032 -14.3031 -6.3908 -6.3873 -5.8833 -5.8746 -5.7492 -5.7458 -0.8537 -0.8431 0.9704 0.9931 1.1794 1.1837 6.4915 6.5002 6.6775 6.6801 7.2212 7.2375 7.6978 7.7000 7.9081 7.9097 8.9770 8.9886 9.0046 9.0067 9.3520 9.3677 9.8782 9.8814 13.6567 13.6623 13.7819 13.7877 14.0170 14.0277 15.2919 15.2925 k = 0.3384 0.3393-0.0000 ( 2734 PWs) bands (ev): -46.0298 -46.0298 -22.7631 -22.7620 -22.1400 -22.1382 -22.0731 -22.0726 -14.2991 -14.2990 -6.3761 -6.3727 -5.8822 -5.8736 -5.7503 -5.7469 -0.8547 -0.8443 0.9650 0.9880 1.1790 1.1840 6.4554 6.4636 6.6352 6.6371 7.1637 7.1781 7.6850 7.6869 7.8810 7.8826 8.9744 8.9749 9.0085 9.0191 9.3622 9.3797 9.8959 9.8981 13.6954 13.7007 13.8120 13.8175 14.0571 14.0671 15.3041 15.3046 k = 0.3473 0.3482-0.0000 ( 2734 PWs) bands (ev): -46.0297 -46.0297 -22.7638 -22.7627 -22.1411 -22.1393 -22.0733 -22.0728 -14.2952 -14.2951 -6.3608 -6.3574 -5.8811 -5.8725 -5.7523 -5.7488 -0.8560 -0.8458 0.9588 0.9818 1.1790 1.1846 6.4210 6.4286 6.5948 6.5962 7.1076 7.1204 7.6727 7.6744 7.8550 7.8565 8.9474 8.9477 9.0377 9.0510 9.3723 9.3916 9.9140 9.9152 13.7328 13.7378 13.8408 13.8460 14.0955 14.1050 15.3154 15.3158 k = 0.3562 0.3571-0.0000 ( 2738 PWs) bands (ev): -46.0297 -46.0297 -22.7645 -22.7634 -22.1422 -22.1405 -22.0736 -22.0731 -14.2914 -14.2913 -6.3448 -6.3415 -5.8800 -5.8715 -5.7551 -5.7516 -0.8575 -0.8476 0.9521 0.9748 1.1795 1.1854 6.3882 6.3952 6.5567 6.5575 7.0532 7.0645 7.6609 7.6625 7.8301 7.8317 8.9210 8.9214 9.0697 9.0852 9.3821 9.4034 9.9321 9.9324 13.7687 13.7734 13.8682 13.8731 14.1322 14.1412 15.3259 15.3263 k = 0.3651 0.3661-0.0000 ( 2730 PWs) bands (ev): -46.0297 -46.0297 -22.7651 -22.7640 -22.1431 -22.1415 -22.0738 -22.0733 -14.2879 -14.2878 -6.3282 -6.3250 -5.8789 -5.8706 -5.7587 -5.7552 -0.8592 -0.8497 0.9448 0.9670 1.1804 1.1865 6.3570 6.3634 6.5208 6.5210 7.0008 7.0107 7.6498 7.6512 7.8063 7.8079 8.8957 8.8962 9.1032 9.1209 9.3918 9.4153 9.9496 9.9500 13.8031 13.8075 13.8942 13.8989 14.1672 14.1756 15.3356 15.3359 k = 0.3740 0.3750-0.0000 ( 2736 PWs) bands (ev): -46.0296 -46.0296 -22.7657 -22.7647 -22.1441 -22.1425 -22.0740 -22.0735 -14.2846 -14.2845 -6.3112 -6.3080 -5.8779 -5.8696 -5.7632 -5.7596 -0.8612 -0.8519 0.9373 0.9587 1.1817 1.1877 6.3275 6.3333 6.4869 6.4873 6.9505 6.9591 7.6393 7.6406 7.7837 7.7853 8.8718 8.8723 9.1375 9.1576 9.4013 9.4271 9.9666 9.9677 13.8358 13.8400 13.9188 13.9232 14.2002 14.2080 15.3445 15.3447 k = 0.3829 0.3839-0.0000 ( 2734 PWs) bands (ev): -46.0296 -46.0296 -22.7662 -22.7653 -22.1450 -22.1435 -22.0742 -22.0738 -14.2815 -14.2814 -6.2938 -6.2907 -5.8770 -5.8688 -5.7686 -5.7649 -0.8632 -0.8544 0.9295 0.9501 1.1833 1.1892 6.2997 6.3048 6.4553 6.4562 6.9025 6.9100 7.6295 7.6308 7.7622 7.7639 8.8492 8.8497 9.1720 9.1946 9.4106 9.4390 9.9833 9.9850 13.8668 13.8706 13.9420 13.9460 14.2313 14.2385 15.3526 15.3528 k = 0.3918 0.3929-0.0000 ( 2736 PWs) bands (ev): -46.0295 -46.0295 -22.7668 -22.7659 -22.1458 -22.1444 -22.0744 -22.0740 -14.2786 -14.2785 -6.2761 -6.2731 -5.8761 -5.8680 -5.7748 -5.7710 -0.8653 -0.8570 0.9217 0.9413 1.1851 1.1908 6.2736 6.2780 6.4262 6.4277 6.8570 6.8635 7.6205 7.6217 7.7420 7.7436 8.8281 8.8286 9.2060 9.2314 9.4199 9.4510 9.9995 10.0017 13.8959 13.8994 13.9636 13.9674 14.2603 14.2669 15.3599 15.3601 k = 0.4007 0.4018-0.0000 ( 2746 PWs) bands (ev): -46.0295 -46.0295 -22.7673 -22.7665 -22.1466 -22.1453 -22.0746 -22.0742 -14.2759 -14.2759 -6.2582 -6.2553 -5.8754 -5.8672 -5.7818 -5.7778 -0.8675 -0.8596 0.9141 0.9324 1.1871 1.1925 6.2491 6.2528 6.3998 6.4017 6.8143 6.8198 7.6123 7.6136 7.7229 7.7245 8.8084 8.8089 9.2388 9.2670 9.4293 9.4631 10.0151 10.0177 13.9231 13.9262 13.9838 13.9871 14.2871 14.2932 15.3665 15.3666 k = 0.4096 0.4107-0.0000 ( 2750 PWs) bands (ev): -46.0295 -46.0295 -22.7678 -22.7670 -22.1474 -22.1462 -22.0747 -22.0744 -14.2735 -14.2734 -6.2403 -6.2375 -5.8747 -5.8665 -5.7894 -5.7852 -0.8696 -0.8623 0.9068 0.9237 1.1892 1.1943 6.2264 6.2295 6.3760 6.3784 6.7744 6.7790 7.6050 7.6063 7.7050 7.7067 8.7903 8.7907 9.2699 9.3008 9.4391 9.4755 10.0299 10.0327 13.9482 13.9510 14.0023 14.0054 14.3117 14.3173 15.3724 15.3725 k = 0.4185 0.4196-0.0000 ( 2750 PWs) bands (ev): -46.0295 -46.0295 -22.7682 -22.7675 -22.1480 -22.1469 -22.0749 -22.0746 -14.2712 -14.2712 -6.2226 -6.2199 -5.8741 -5.8658 -5.7977 -5.7932 -0.8716 -0.8649 0.8998 0.9154 1.1913 1.1960 6.2055 6.2080 6.3549 6.3576 6.7375 6.7413 7.5987 7.6000 7.6883 7.6900 8.7738 8.7742 9.2986 9.3317 9.4498 9.4882 10.0438 10.0468 13.9712 13.9736 14.0193 14.0220 14.3341 14.3391 15.3777 15.3777 k = 0.4274 0.4286-0.0000 ( 2746 PWs) bands (ev): -46.0294 -46.0294 -22.7685 -22.7679 -22.1485 -22.1475 -22.0750 -22.0747 -14.2692 -14.2692 -6.2051 -6.2026 -5.8736 -5.8652 -5.8065 -5.8017 -0.8736 -0.8675 0.8934 0.9074 1.1934 1.1976 6.1865 6.1884 6.3364 6.3393 6.7038 6.7069 7.5934 7.5947 7.6728 7.6745 8.7589 8.7593 9.3243 9.3586 9.4619 9.5012 10.0566 10.0597 13.9919 13.9940 14.0347 14.0371 14.3542 14.3587 15.3822 15.3823 k = 0.4363 0.4375-0.0000 ( 2740 PWs) bands (ev): -46.0294 -46.0294 -22.7688 -22.7682 -22.1490 -22.1481 -22.0750 -22.0748 -14.2675 -14.2674 -6.1883 -6.1858 -5.8733 -5.8647 -5.8155 -5.8103 -0.8754 -0.8699 0.8875 0.9000 1.1954 1.1991 6.1694 6.1709 6.3205 6.3235 6.6735 6.6759 7.5891 7.5905 7.6585 7.6602 8.7457 8.7460 9.3469 9.3805 9.4760 9.5142 10.0683 10.0714 14.0104 14.0122 14.0485 14.0505 14.3721 14.3760 15.3862 15.3862 k = 0.4453 0.4464-0.0000 ( 2744 PWs) bands (ev): -46.0294 -46.0294 -22.7691 -22.7686 -22.1495 -22.1487 -22.0751 -22.0749 -14.2659 -14.2659 -6.1723 -6.1700 -5.8731 -5.8643 -5.8246 -5.8189 -0.8769 -0.8722 0.8824 0.8933 1.1973 1.2005 6.1543 6.1554 6.3071 6.3100 6.6467 6.6485 7.5860 7.5873 7.6455 7.6472 8.7342 8.7344 9.3661 9.3969 9.4920 9.5270 10.0788 10.0817 14.0265 14.0279 14.0606 14.0622 14.3876 14.3910 15.3896 15.3896 k = 0.4542 0.4554-0.0000 ( 2744 PWs) bands (ev): -46.0294 -46.0294 -22.7693 -22.7689 -22.1498 -22.1492 -22.0752 -22.0750 -14.2646 -14.2646 -6.1574 -6.1554 -5.8731 -5.8640 -5.8335 -5.8271 -0.8783 -0.8743 0.8781 0.8872 1.1990 1.2017 6.1413 6.1421 6.2960 6.2988 6.6235 6.6249 7.5839 7.5853 7.6337 7.6353 8.7243 8.7245 9.3820 9.4085 9.5088 9.5389 10.0879 10.0905 14.0402 14.0413 14.0711 14.0723 14.4008 14.4036 15.3924 15.3924 k = 0.4631 0.4643-0.0000 ( 2738 PWs) bands (ev): -46.0294 -46.0294 -22.7694 -22.7691 -22.1501 -22.1495 -22.0753 -22.0751 -14.2635 -14.2635 -6.1441 -6.1423 -5.8732 -5.8640 -5.8415 -5.8346 -0.8794 -0.8761 0.8746 0.8820 1.2004 1.2027 6.1305 6.1310 6.2873 6.2897 6.6042 6.6052 7.5830 7.5844 7.6231 7.6248 8.7162 8.7164 9.3949 9.4163 9.5251 9.5495 10.0956 10.0978 14.0515 14.0523 14.0798 14.0807 14.4117 14.4140 15.3947 15.3947 k = 0.4720 0.4732-0.0000 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7695 -22.7693 -22.1502 -22.1498 -22.0753 -22.0752 -14.2627 -14.2627 -6.1328 -6.1313 -5.8734 -5.8646 -5.8481 -5.8411 -0.8801 -0.8776 0.8720 0.8777 1.2017 1.2034 6.1219 6.1223 6.2807 6.2827 6.5888 6.5895 7.5833 7.5847 7.6138 7.6154 8.7098 8.7099 9.4050 9.4211 9.5396 9.5580 10.1018 10.1036 14.0604 14.0609 14.0867 14.0874 14.4203 14.4220 15.3965 15.3965 k = 0.4809 0.4821-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7694 -22.1503 -22.1501 -22.0753 -22.0752 -14.2621 -14.2621 -6.1240 -6.1229 -5.8735 -5.8663 -5.8522 -5.8463 -0.8806 -0.8789 0.8704 0.8742 1.2027 1.2039 6.1156 6.1158 6.2761 6.2775 6.5776 6.5780 7.5847 7.5862 7.6058 7.6074 8.7052 8.7053 9.4128 9.4236 9.5515 9.5639 10.1065 10.1077 14.0668 14.0671 14.0918 14.0922 14.4266 14.4278 15.3977 15.3977 k = 0.4898 0.4911-0.0000 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7697 -22.7696 -22.1504 -22.1503 -22.0753 -22.0752 -14.2617 -14.2617 -6.1181 -6.1176 -5.8731 -5.8689 -5.8536 -5.8501 -0.8808 -0.8799 0.8697 0.8717 1.2034 1.2041 6.1117 6.1118 6.2735 6.2742 6.5705 6.5708 7.5873 7.5887 7.5992 7.6007 8.7023 8.7023 9.4184 9.4241 9.5601 9.5667 10.1095 10.1102 14.0708 14.0709 14.0951 14.0953 14.4306 14.4313 15.3985 15.3985 k = 0.4987 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1156 -6.1155 -5.8719 -5.8713 -5.8530 -5.8526 -0.8806 -0.8805 0.8699 0.8702 1.2039 1.2040 6.1102 6.1102 6.2726 6.2727 6.5678 6.5679 7.5904 7.5908 7.5955 7.5959 8.7012 8.7012 9.4221 9.4228 9.5653 9.5661 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4325 15.3988 15.3988 k = 0.4987 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1156 -6.1155 -5.8719 -5.8713 -5.8530 -5.8526 -0.8806 -0.8805 0.8699 0.8702 1.2039 1.2040 6.1102 6.1102 6.2726 6.2727 6.5678 6.5679 7.5904 7.5908 7.5955 7.5959 8.7012 8.7012 9.4221 9.4228 9.5653 9.5661 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4325 15.3988 15.3988 k = 0.4859 0.5000-0.0000 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1503 -22.0753 -22.0752 -14.2617 -14.2617 -6.1180 -6.1175 -5.8724 -5.8692 -5.8534 -5.8508 -0.8807 -0.8800 0.8699 0.8715 1.2035 1.2040 6.1119 6.1120 6.2738 6.2743 6.5700 6.5701 7.5885 7.5898 7.5980 7.5994 8.7022 8.7023 9.4189 9.4231 9.5614 9.5663 10.1096 10.1101 14.0709 14.0710 14.0951 14.0953 14.4308 14.4312 15.3986 15.3986 k = 0.4731 0.5000-0.0000 ( 2727 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7694 -22.1503 -22.1501 -22.0752 -22.0752 -14.2621 -14.2621 -6.1238 -6.1231 -5.8715 -5.8659 -5.8527 -5.8480 -0.8804 -0.8792 0.8708 0.8737 1.2028 1.2037 6.1165 6.1166 6.2772 6.2783 6.5756 6.5759 7.5870 7.5884 7.6035 7.6049 8.7051 8.7052 9.4132 9.4210 9.5546 9.5636 10.1066 10.1075 14.0666 14.0668 14.0925 14.0927 14.4268 14.4277 15.3980 15.3980 k = 0.4603 0.5000-0.0000 ( 2733 PWs) bands (ev): -46.0293 -46.0293 -22.7695 -22.7693 -22.1502 -22.1499 -22.0752 -22.0752 -14.2627 -14.2627 -6.1329 -6.1319 -5.8695 -5.8617 -5.8508 -5.8443 -0.8798 -0.8780 0.8727 0.8769 1.2019 1.2031 6.1238 6.1240 6.2830 6.2845 6.5848 6.5853 7.5862 7.5875 7.6110 7.6124 8.7098 8.7099 9.4050 9.4163 9.5449 9.5580 10.1018 10.1031 14.0582 14.0584 14.0897 14.0900 14.4206 14.4219 15.3969 15.3969 k = 0.4475 0.5000-0.0000 ( 2739 PWs) bands (ev): -46.0294 -46.0294 -22.7694 -22.7692 -22.1500 -22.1496 -22.0752 -22.0751 -14.2635 -14.2635 -6.1449 -6.1437 -5.8664 -5.8572 -5.8475 -5.8399 -0.8789 -0.8766 0.8756 0.8810 1.2007 1.2023 6.1336 6.1339 6.2913 6.2931 6.5978 6.5985 7.5857 7.5869 7.6206 7.6220 8.7163 8.7165 9.3944 9.4092 9.5325 9.5496 10.0952 10.0969 14.0450 14.0451 14.0875 14.0878 14.4122 14.4139 15.3954 15.3954 k = 0.4347 0.5000-0.0000 ( 2745 PWs) bands (ev): -46.0294 -46.0294 -22.7692 -22.7689 -22.1497 -22.1493 -22.0752 -22.0751 -14.2646 -14.2646 -6.1593 -6.1581 -5.8624 -5.8527 -5.8430 -5.8349 -0.8777 -0.8748 0.8795 0.8860 1.1992 1.2011 6.1455 6.1458 6.3020 6.3042 6.6146 6.6156 7.5855 7.5866 7.6324 7.6336 8.7246 8.7248 9.3815 9.3997 9.5175 9.5385 10.0867 10.0887 14.0270 14.0272 14.0860 14.0862 14.4018 14.4038 15.3934 15.3934 k = 0.4220 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.0294 -46.0294 -22.7690 -22.7687 -22.1494 -22.1488 -22.0751 -22.0750 -14.2659 -14.2659 -6.1759 -6.1746 -5.8577 -5.8480 -5.8375 -5.8296 -0.8761 -0.8727 0.8843 0.8920 1.1975 1.1998 6.1589 6.1593 6.3154 6.3178 6.6354 6.6368 7.5855 7.5865 7.6463 7.6474 8.7346 8.7348 9.3662 9.3877 9.5002 9.5249 10.0763 10.0787 14.0048 14.0048 14.0849 14.0851 14.3895 14.3919 15.3908 15.3908 k = 0.4092 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.0294 -46.0294 -22.7687 -22.7683 -22.1489 -22.1483 -22.0750 -22.0748 -14.2675 -14.2674 -6.1942 -6.1929 -5.8524 -5.8431 -5.8315 -5.8240 -0.8742 -0.8704 0.8901 0.8989 1.1955 1.1982 6.1731 6.1738 6.3319 6.3343 6.6604 6.6622 7.5857 7.5865 7.6623 7.6634 8.7464 8.7466 9.3487 9.3732 9.4809 9.5090 10.0640 10.0666 13.9785 13.9785 14.0839 14.0841 14.3756 14.3783 15.3876 15.3877 k = 0.3964 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0294 -46.0294 -22.7684 -22.7680 -22.1484 -22.1477 -22.0749 -22.0747 -14.2692 -14.2692 -6.2140 -6.2128 -5.8466 -5.8377 -5.8254 -5.8184 -0.8720 -0.8678 0.8968 0.9066 1.1935 1.1964 6.1877 6.1885 6.3516 6.3539 6.6896 6.6919 7.5860 7.5867 7.6804 7.6814 8.7599 8.7601 9.3291 9.3562 9.4598 9.4910 10.0496 10.0524 13.9484 13.9484 14.0830 14.0831 14.3602 14.3632 15.3837 15.3838 k = 0.3836 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0295 -46.0295 -22.7681 -22.7676 -22.1479 -22.1471 -22.0748 -22.0746 -14.2711 -14.2711 -6.2350 -6.2339 -5.8404 -5.8320 -5.8194 -5.8129 -0.8696 -0.8649 0.9044 0.9151 1.1913 1.1946 6.2018 6.2029 6.3750 6.3771 6.7229 6.7259 7.5863 7.5869 7.7005 7.7015 8.7751 8.7753 9.3073 9.3366 9.4375 9.4713 10.0331 10.0360 13.9147 13.9147 14.0822 14.0823 14.3435 14.3469 15.3790 15.3791 k = 0.3708 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0295 -46.0295 -22.7677 -22.7672 -22.1473 -22.1464 -22.0746 -22.0744 -14.2732 -14.2732 -6.2570 -6.2560 -5.8338 -5.8260 -5.8135 -5.8075 -0.8668 -0.8618 0.9128 0.9244 1.1890 1.1926 6.2150 6.2165 6.4023 6.4041 6.7604 6.7640 7.5867 7.5872 7.7225 7.7234 8.7919 8.7921 9.2835 9.3142 9.4144 9.4501 10.0143 10.0174 13.8777 13.8778 14.0813 14.0814 14.3259 14.3296 15.3733 15.3735 k = 0.3580 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0295 -46.0295 -22.7673 -22.7667 -22.1466 -22.1457 -22.0745 -22.0742 -14.2754 -14.2754 -6.2799 -6.2790 -5.8270 -5.8198 -5.8077 -5.8023 -0.8639 -0.8585 0.9220 0.9344 1.1867 1.1905 6.2271 6.2290 6.4336 6.4349 6.8017 6.8060 7.5871 7.5875 7.7463 7.7471 8.8102 8.8105 9.2577 9.2891 9.3912 9.4278 9.9933 9.9964 13.8377 13.8378 14.0804 14.0804 14.3076 14.3116 15.3666 15.3668 k = 0.3452 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0296 -46.0296 -22.7668 -22.7662 -22.1459 -22.1449 -22.0742 -22.0740 -14.2778 -14.2778 -6.3034 -6.3026 -5.8202 -5.8139 -5.8017 -5.7971 -0.8606 -0.8551 0.9320 0.9451 1.1844 1.1884 6.2380 6.2402 6.4688 6.4696 6.8466 6.8517 7.5875 7.5879 7.7718 7.7725 8.8301 8.8304 9.2301 9.2611 9.3682 9.4048 9.9699 9.9731 13.7948 13.7949 14.0795 14.0795 14.2888 14.2931 15.3587 15.3590 k = 0.3325 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0296 -46.0296 -22.7663 -22.7657 -22.1452 -22.1442 -22.0740 -22.0738 -14.2804 -14.2803 -6.3274 -6.3267 -5.8137 -5.8085 -5.7952 -5.7917 -0.8572 -0.8514 0.9426 0.9563 1.1822 1.1864 6.2477 6.2503 6.5077 6.5079 6.8947 6.9007 7.5880 7.5883 7.7988 7.7995 8.8515 8.8518 9.2006 9.2303 9.3461 9.3817 9.9440 9.9472 13.7493 13.7495 14.0785 14.0785 14.2698 14.2743 15.3496 15.3499 k = 0.3197 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0296 -46.0296 -22.7658 -22.7652 -22.1444 -22.1433 -22.0738 -22.0735 -14.2830 -14.2830 -6.3518 -6.3511 -5.8079 -5.8041 -5.7880 -5.7858 -0.8536 -0.8477 0.9538 0.9681 1.1802 1.1845 6.2564 6.2593 6.5496 6.5500 6.9455 6.9525 7.5884 7.5887 7.8271 7.8277 8.8742 8.8745 9.1694 9.1970 9.3250 9.3588 9.9157 9.9188 13.7015 13.7017 14.0775 14.0775 14.2509 14.2557 15.3389 15.3394 k = 0.3069 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0297 -46.0297 -22.7653 -22.7646 -22.1435 -22.1425 -22.0735 -22.0732 -14.2858 -14.2857 -6.3763 -6.3757 -5.8032 -5.8007 -5.7800 -5.7791 -0.8498 -0.8438 0.9656 0.9802 1.1783 1.1828 6.2642 6.2674 6.5946 6.5956 6.9987 7.0065 7.5888 7.5891 7.8567 7.8572 8.8982 8.8985 9.1366 9.1615 9.3054 9.3367 9.8848 9.8877 13.6517 13.6518 14.0764 14.0764 14.2322 14.2372 15.3266 15.3272 k = 0.2941 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0297 -46.0297 -22.7648 -22.7641 -22.1427 -22.1416 -22.0732 -22.0729 -14.2886 -14.2885 -6.4009 -6.4004 -5.7996 -5.7981 -5.7715 -5.7715 -0.8459 -0.8398 0.9778 0.9927 1.1767 1.1812 6.2713 6.2748 6.6425 6.6441 7.0535 7.0623 7.5893 7.5895 7.8873 7.8878 8.9234 8.9237 9.1023 9.1241 9.2874 9.3159 9.8513 9.8541 13.6000 13.6002 14.0753 14.0754 14.2140 14.2193 15.3125 15.3132 k = 0.2813 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0297 -46.0297 -22.7642 -22.7635 -22.1418 -22.1407 -22.0729 -22.0726 -14.2915 -14.2914 -6.4254 -6.4250 -5.7970 -5.7962 -5.7632 -5.7626 -0.8419 -0.8357 0.9903 1.0052 1.1755 1.1800 6.2779 6.2817 6.6931 6.6953 7.1094 7.1192 7.5897 7.5899 7.9188 7.9192 8.9497 8.9499 9.0668 9.0852 9.2715 9.2970 9.8151 9.8177 13.5469 13.5471 14.0741 14.0742 14.1966 14.2021 15.2965 15.2973 k = 0.2685 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.0298 -46.0298 -22.7637 -22.7629 -22.1410 -22.1399 -22.0726 -22.0723 -14.2944 -14.2943 -6.4498 -6.4494 -5.7952 -5.7949 -5.7544 -5.7534 -0.8379 -0.8317 1.0029 1.0178 1.1748 1.1792 6.2840 6.2880 6.7463 6.7491 7.1657 7.1766 7.5901 7.5902 7.9510 7.9512 8.9768 8.9769 9.0305 9.0453 9.2579 9.2804 9.7763 9.7786 13.4926 13.4928 14.0729 14.0731 14.1800 14.1858 15.2783 15.2793 k = 0.2557 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0298 -46.0298 -22.7631 -22.7624 -22.1401 -22.1390 -22.0723 -22.0720 -14.2973 -14.2973 -6.4738 -6.4736 -5.7942 -5.7941 -5.7453 -5.7441 -0.8337 -0.8276 1.0155 1.0302 1.1747 1.1789 6.2898 6.2940 6.8018 6.8053 7.2217 7.2338 7.5905 7.5906 7.9836 7.9838 8.9891 9.0020 9.0077 9.0087 9.2470 9.2666 9.7349 9.7369 13.4374 13.4375 14.0717 14.0719 14.1645 14.1705 15.2578 15.2590 k = 0.2429 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0298 -46.0298 -22.7625 -22.7618 -22.1393 -22.1381 -22.0719 -22.0716 -14.3003 -14.3002 -6.4975 -6.4973 -5.7937 -5.7937 -5.7360 -5.7347 -0.8296 -0.8235 1.0279 1.0422 1.1754 1.1791 6.2953 6.2996 6.8594 6.8636 7.2768 7.2900 7.5909 7.5909 8.0166 8.0166 8.9530 8.9633 9.0341 9.0353 9.2393 9.2560 9.6909 9.6924 13.3816 13.3818 14.0704 14.0706 14.1502 14.1564 15.2349 15.2363 k = 0.2302 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0299 -46.0299 -22.7619 -22.7612 -22.1384 -22.1373 -22.0716 -22.0713 -14.3032 -14.3032 -6.5206 -6.5205 -5.7938 -5.7936 -5.7266 -5.7253 -0.8255 -0.8195 1.0400 1.0536 1.1770 1.1801 6.3006 6.3051 6.9188 6.9239 7.3303 7.3446 7.5912 7.5912 8.0495 8.0496 8.9146 8.9222 9.0634 9.0645 9.2350 9.2491 9.6444 9.6454 13.3256 13.3257 14.0690 14.0693 14.1372 14.1437 15.2093 15.2110 k = 0.2174 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0299 -46.0299 -22.7614 -22.7607 -22.1376 -22.1365 -22.0712 -22.0709 -14.3061 -14.3061 -6.5432 -6.5431 -5.7942 -5.7940 -5.7173 -5.7160 -0.8214 -0.8156 1.0514 1.0640 1.1796 1.1820 6.3058 6.3103 6.9800 6.9859 7.3815 7.3971 7.5915 7.5915 8.0822 8.0825 8.8760 8.8813 9.0930 9.0942 9.2346 9.2462 9.5955 9.5959 13.2696 13.2698 14.0676 14.0679 14.1256 14.1323 15.1812 15.1831 k = 0.2046 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.0300 -46.0300 -22.7608 -22.7601 -22.1368 -22.1357 -22.0708 -22.0705 -14.3090 -14.3089 -6.5649 -6.5649 -5.7949 -5.7946 -5.7081 -5.7069 -0.8173 -0.8118 1.0619 1.0734 1.1834 1.1849 6.3108 6.3154 7.0425 7.0494 7.4300 7.4468 7.5918 7.5918 8.1146 8.1150 8.8375 8.8409 9.1228 9.1241 9.2383 9.2474 9.5440 9.5445 13.2141 13.2142 14.0662 14.0665 14.1155 14.1224 15.1503 15.1526 k = 0.1918 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.0300 -46.0300 -22.7603 -22.7596 -22.1360 -22.1350 -22.0704 -22.0701 -14.3117 -14.3117 -6.5859 -6.5859 -5.7958 -5.7955 -5.6991 -5.6979 -0.8134 -0.8080 1.0714 1.0814 1.1885 1.1888 6.3156 6.3203 7.1061 7.1141 7.4752 7.4934 7.5920 7.5921 8.1464 8.1470 8.7996 8.8014 9.1525 9.1540 9.2460 9.2524 9.4901 9.4918 13.1593 13.1595 14.0646 14.0649 14.1069 14.1140 15.1168 15.1194 k = 0.1790 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.0300 -46.0300 -22.7598 -22.7591 -22.1352 -22.1342 -22.0700 -22.0698 -14.3144 -14.3144 -6.6060 -6.6060 -5.7969 -5.7967 -5.6903 -5.6892 -0.8096 -0.8045 1.0797 1.0882 1.1940 1.1949 6.3204 6.3250 7.1702 7.1795 7.5171 7.5367 7.5923 7.5924 8.1775 8.1782 8.7625 8.7630 9.1818 9.1836 9.2574 9.2604 9.4348 9.4385 13.1056 13.1058 14.0631 14.0634 14.0998 14.1070 15.0809 15.0837 k = 0.1662 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.0301 -46.0301 -22.7593 -22.7587 -22.1345 -22.1336 -22.0696 -22.0694 -14.3170 -14.3170 -6.6251 -6.6251 -5.7982 -5.7979 -5.6819 -5.6809 -0.8059 -0.8011 1.0867 1.0936 1.2002 1.2022 6.3250 6.3296 7.2344 7.2451 7.5557 7.5766 7.5926 7.5929 8.2075 8.2083 8.7260 8.7265 9.2106 9.2127 9.2678 9.2701 9.3804 9.3883 13.0535 13.0536 14.0615 14.0618 14.0942 14.1015 15.0427 15.0459 k = 0.1534 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.0301 -46.0301 -22.7588 -22.7582 -22.1339 -22.1330 -22.0693 -22.0690 -14.3195 -14.3194 -6.6431 -6.6431 -5.7996 -5.7993 -5.6739 -5.6729 -0.8024 -0.7979 1.0925 1.0979 1.2073 1.2103 6.3295 6.3341 7.2977 7.3101 7.5891 7.5926 7.5953 7.6146 8.2363 8.2373 8.6906 8.6919 9.2380 9.2406 9.2617 9.2718 9.3395 9.3541 13.0031 13.0033 14.0601 14.0602 14.0899 14.0972 15.0026 15.0061 k = 0.1407 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.0301 -46.0301 -22.7584 -22.7578 -22.1332 -22.1324 -22.0689 -22.0687 -14.3218 -14.3218 -6.6600 -6.6600 -5.8010 -5.8007 -5.6663 -5.6654 -0.7991 -0.7949 1.0972 1.1013 1.2152 1.2189 6.3339 6.3383 7.3591 7.3733 7.5923 7.5930 7.6265 7.6503 8.2636 8.2648 8.6572 8.6590 9.2221 9.2295 9.2686 9.2696 9.3403 9.3532 12.9550 12.9551 14.0588 14.0589 14.0868 14.0942 14.9611 14.9649 k = 0.1279 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.0302 -46.0302 -22.7579 -22.7574 -22.1326 -22.1318 -22.0685 -22.0683 -14.3240 -14.3239 -6.6757 -6.6756 -5.8024 -5.8022 -5.6591 -5.6583 -0.7960 -0.7921 1.1009 1.1040 1.2234 1.2277 6.3381 6.3423 7.4169 7.4327 7.5926 7.5932 7.6608 7.6859 8.2893 8.2906 8.6260 8.6280 9.1663 9.1715 9.2941 9.2958 9.3618 9.3713 12.9094 12.9096 14.0577 14.0577 14.0849 14.0921 14.9189 14.9229 k = 0.1151 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7575 -22.7570 -22.1320 -22.1313 -22.0681 -22.0680 -14.3260 -14.3259 -6.6900 -6.6899 -5.8038 -5.8036 -5.6525 -5.6518 -0.7931 -0.7895 1.1038 1.1060 1.2318 1.2363 6.3420 6.3461 7.4689 7.4857 7.5928 7.5936 7.6980 7.7236 8.3132 8.3147 8.5971 8.5992 9.1042 9.1077 9.3194 9.3210 9.3885 9.3959 12.8668 12.8669 14.0568 14.0568 14.0838 14.0910 14.8766 14.8809 k = 0.1023 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0302 -46.0302 -22.7571 -22.7567 -22.1315 -22.1309 -22.0678 -22.0676 -14.3278 -14.3278 -6.7030 -6.7029 -5.8052 -5.8050 -5.6465 -5.6459 -0.7904 -0.7872 1.1061 1.1077 1.2400 1.2446 6.3458 6.3496 7.5130 7.5295 7.5930 7.5940 7.7408 7.7654 8.3351 8.3367 8.5708 8.5729 9.0396 9.0419 9.3431 9.3446 9.4169 9.4230 12.8275 12.8276 14.0561 14.0562 14.0836 14.0906 14.8351 14.8395 k = 0.0895 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.0302 -46.0302 -22.7568 -22.7565 -22.1311 -22.1305 -22.0676 -22.0674 -14.3295 -14.3294 -6.7146 -6.7146 -5.8064 -5.8063 -5.6411 -5.6406 -0.7880 -0.7852 1.1079 1.1090 1.2478 1.2522 6.3493 6.3527 7.5476 7.5626 7.5933 7.5947 7.7907 7.8127 8.3549 8.3565 8.5474 8.5492 8.9739 8.9753 9.3650 9.3662 9.4455 9.4506 12.7918 12.7919 14.0557 14.0558 14.0840 14.0909 14.7953 14.7997 k = 0.0767 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.0303 -46.0303 -22.7565 -22.7562 -22.1307 -22.1302 -22.0673 -22.0672 -14.3309 -14.3309 -6.7248 -6.7247 -5.8076 -5.8075 -5.6364 -5.6359 -0.7859 -0.7835 1.1093 1.1100 1.2551 1.2591 6.3525 6.3555 7.5722 7.5850 7.5946 7.5965 7.8464 7.8650 8.3722 8.3739 8.5269 8.5285 8.9082 8.9088 9.3847 9.3857 9.4731 9.4773 12.7601 12.7602 14.0554 14.0556 14.0852 14.0916 14.7581 14.7624 k = 0.0639 0.5000-0.0000 ( 2759 PWs) bands (ev): -46.0303 -46.0303 -22.7563 -22.7560 -22.1303 -22.1299 -22.0670 -22.0669 -14.3321 -14.3321 -6.7334 -6.7334 -5.8086 -5.8085 -5.6323 -5.6319 -0.7841 -0.7820 1.1104 1.1108 1.2615 1.2650 6.3553 6.3579 7.5858 7.5917 7.6019 7.6042 7.9051 7.9203 8.3871 8.3888 8.5098 8.5110 8.8435 8.8436 9.4019 9.4027 9.4986 9.5020 12.7327 12.7327 14.0553 14.0555 14.0868 14.0927 14.7246 14.7286 k = 0.0511 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0303 -46.0303 -22.7560 -22.7558 -22.1300 -22.1297 -22.0668 -22.0667 -14.3332 -14.3331 -6.7406 -6.7405 -5.8095 -5.8094 -5.6289 -5.6286 -0.7825 -0.7808 1.1112 1.1115 1.2671 1.2700 6.3577 6.3599 7.5900 7.5922 7.6109 7.6145 7.9637 7.9757 8.3992 8.4008 8.4962 8.4970 8.7811 8.7815 9.4163 9.4169 9.5210 9.5237 12.7098 12.7099 14.0552 14.0554 14.0888 14.0939 14.6956 14.6991 k = 0.0384 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0303 -46.0303 -22.7558 -22.7557 -22.1298 -22.1295 -22.0666 -22.0666 -14.3340 -14.3339 -6.7462 -6.7461 -5.8101 -5.8101 -5.6262 -5.6260 -0.7812 -0.7800 1.1118 1.1120 1.2716 1.2739 6.3597 6.3614 7.5912 7.5924 7.6187 7.6215 8.0185 8.0276 8.4083 8.4098 8.4866 8.4871 8.7237 8.7245 9.4277 9.4282 9.5394 9.5414 12.6918 12.6918 14.0552 14.0554 14.0909 14.0950 14.6721 14.6750 k = 0.0256 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0303 -46.0303 -22.7557 -22.7556 -22.1296 -22.1294 -22.0665 -22.0665 -14.3345 -14.3345 -6.7501 -6.7501 -5.8106 -5.8106 -5.6243 -5.6241 -0.7802 -0.7794 1.1122 1.1123 1.2750 1.2765 6.3612 6.3624 7.5917 7.5924 7.6240 7.6259 8.0652 8.0714 8.4143 8.4154 8.4812 8.4815 8.6753 8.6761 9.4361 9.4363 9.5532 9.5545 12.6788 12.6788 14.0552 14.0554 14.0929 14.0958 14.6549 14.6569 k = 0.0128 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0303 -46.0303 -22.7556 -22.7556 -22.1295 -22.1294 -22.0664 -22.0664 -14.3349 -14.3349 -6.7525 -6.7525 -5.8109 -5.8109 -5.6231 -5.6230 -0.7796 -0.7792 1.1125 1.1125 1.2772 1.2780 6.3623 6.3629 7.5920 7.5923 7.6272 7.6281 8.0979 8.1011 8.4174 8.4180 8.4795 8.4797 8.6416 8.6421 9.4411 9.4413 9.5618 9.5625 12.6709 12.6709 14.0552 14.0553 14.0945 14.0960 14.6445 14.6455 k = 0.0000 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0303 -46.0303 -22.7556 -22.7556 -22.1294 -22.1294 -22.0664 -22.0664 -14.3350 -14.3350 -6.7533 -6.7533 -5.8110 -5.8110 -5.6227 -5.6227 -0.7792 -0.7792 1.1126 1.1126 1.2782 1.2782 6.3628 6.3628 7.5922 7.5922 7.6285 7.6285 8.1109 8.1109 8.4185 8.4185 8.4795 8.4795 8.6293 8.6293 9.4429 9.4429 9.5649 9.5649 12.6683 12.6683 14.0553 14.0553 14.0956 14.0956 14.6413 14.6413 k = 0.0000 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0303 -46.0303 -22.7556 -22.7556 -22.1294 -22.1294 -22.0664 -22.0664 -14.3350 -14.3350 -6.7533 -6.7533 -5.8110 -5.8110 -5.6227 -5.6227 -0.7792 -0.7792 1.1126 1.1126 1.2782 1.2782 6.3628 6.3628 7.5922 7.5922 7.6285 7.6285 8.1109 8.1109 8.4185 8.4185 8.4795 8.4795 8.6293 8.6293 9.4429 9.4429 9.5649 9.5649 12.6683 12.6683 14.0553 14.0553 14.0956 14.0956 14.6413 14.6413 k = 0.0000 0.5000 0.0126 ( 2752 PWs) bands (ev): -46.0303 -46.0303 -22.7556 -22.7555 -22.1294 -22.1294 -22.0665 -22.0664 -14.3349 -14.3349 -6.7527 -6.7525 -5.8110 -5.8107 -5.6231 -5.6230 -0.7803 -0.7785 1.1109 1.1140 1.2769 1.2783 6.3622 6.3629 7.5896 7.5931 7.6276 7.6308 8.1093 8.1114 8.3625 8.3735 8.5193 8.5360 8.6209 8.6441 9.4271 9.4410 9.5621 9.5769 12.6688 12.6708 14.0534 14.0563 14.0943 14.0971 14.6445 14.6456 k = 0.0000 0.5000 0.0252 ( 2754 PWs) bands (ev): -46.0303 -46.0303 -22.7557 -22.7556 -22.1294 -22.1293 -22.0668 -22.0666 -14.3345 -14.3345 -6.7506 -6.7502 -5.8106 -5.8100 -5.6242 -5.6240 -0.7817 -0.7781 1.1089 1.1153 1.2743 1.2770 6.3611 6.3624 7.5855 7.5919 7.6283 7.6340 8.1046 8.1116 8.2858 8.3080 8.5656 8.6088 8.6191 8.6753 9.3998 9.4216 9.5684 9.5920 12.6724 12.6764 14.0509 14.0564 14.0933 14.0987 14.6550 14.6571 k = 0.0000 0.5000 0.0378 ( 2754 PWs) bands (ev): -46.0303 -46.0303 -22.7558 -22.7556 -22.1294 -22.1293 -22.0671 -22.0668 -14.3339 -14.3339 -6.7471 -6.7465 -5.8098 -5.8089 -5.6261 -5.6257 -0.7835 -0.7781 1.1068 1.1163 1.2705 1.2745 6.3594 6.3613 7.5804 7.5889 7.6302 7.6375 8.0918 8.1113 8.2085 8.2487 8.5905 8.6087 8.6928 8.7298 9.3655 9.3907 9.5780 9.6058 12.6792 12.6851 14.0481 14.0557 14.0928 14.1002 14.6724 14.6754 k = 0.0000 0.5000 0.0504 ( 2752 PWs) bands (ev): -46.0303 -46.0303 -22.7560 -22.7557 -22.1295 -22.1293 -22.0675 -22.0671 -14.3331 -14.3331 -6.7421 -6.7414 -5.8087 -5.8075 -5.6286 -5.6281 -0.7856 -0.7785 1.1045 1.1170 1.2655 1.2707 6.3572 6.3597 7.5741 7.5841 7.6327 7.6410 8.0616 8.1056 8.1372 8.2069 8.6023 8.6044 8.7715 8.7975 9.3267 9.3534 9.5865 9.6164 12.6894 12.6971 14.0452 14.0543 14.0928 14.1016 14.6959 14.6997 k = 0.0000 0.5000 0.0630 ( 2756 PWs) bands (ev): -46.0303 -46.0303 -22.7562 -22.7558 -22.1295 -22.1293 -22.0681 -22.0676 -14.3321 -14.3320 -6.7358 -6.7348 -5.8072 -5.8057 -5.6318 -5.6311 -0.7881 -0.7793 1.1019 1.1174 1.2594 1.2658 6.3546 6.3576 7.5663 7.5776 7.6353 7.6442 8.0107 8.0501 8.1173 8.1863 8.6009 8.6097 8.8496 8.8699 9.2851 9.3123 9.5917 9.6228 12.7032 12.7125 14.0425 14.0527 14.0931 14.1030 14.7246 14.7291 k = 0.0000 0.5000 0.0756 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7565 -22.7560 -22.1295 -22.1293 -22.0687 -22.0681 -14.3308 -14.3308 -6.7280 -6.7269 -5.8054 -5.8036 -5.6357 -5.6349 -0.7908 -0.7804 1.0992 1.1175 1.2524 1.2599 6.3515 6.3550 7.5562 7.5691 7.6374 7.6466 7.9480 7.9786 8.1155 8.1781 8.5988 8.6158 8.9269 8.9435 9.2416 9.2689 9.5928 9.6245 12.7207 12.7315 14.0402 14.0512 14.0937 14.1043 14.7576 14.7626 k = 0.0000 0.5000 0.0882 ( 2764 PWs) bands (ev): -46.0302 -46.0302 -22.7568 -22.7562 -22.1296 -22.1293 -22.0695 -22.0688 -14.3293 -14.3293 -6.7189 -6.7176 -5.8032 -5.8012 -5.6402 -5.6393 -0.7939 -0.7819 1.0961 1.1172 1.2445 1.2530 6.3481 6.3520 7.5427 7.5575 7.6389 7.6480 7.8820 7.9098 8.1137 8.1744 8.5987 8.6223 9.0029 9.0171 9.1975 9.2246 9.5896 9.6217 12.7421 12.7542 14.0386 14.0501 14.0945 14.1055 14.7937 14.7991 k = 0.0000 0.5000 0.1008 ( 2762 PWs) bands (ev): -46.0302 -46.0302 -22.7571 -22.7565 -22.1296 -22.1293 -22.0703 -22.0696 -14.3276 -14.3276 -6.7086 -6.7071 -5.8008 -5.7984 -5.6453 -5.6443 -0.7972 -0.7837 1.0928 1.1163 1.2361 1.2452 6.3443 6.3486 7.5242 7.5413 7.6395 7.6483 7.8173 7.8459 8.1107 8.1712 8.6011 8.6301 9.0774 9.0899 9.1537 9.1806 9.5822 9.6143 12.7674 12.7807 14.0378 14.0498 14.0954 14.1068 14.8319 14.8376 k = 0.0000 0.5000 0.1134 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7574 -22.7567 -22.1296 -22.1292 -22.0712 -22.0704 -14.3257 -14.3257 -6.6970 -6.6953 -5.7981 -5.7954 -5.6510 -5.6499 -0.8008 -0.7859 1.0892 1.1148 1.2272 1.2368 6.3403 6.3449 7.4984 7.5181 7.6392 7.6475 7.7577 7.7884 8.1059 8.1665 8.6067 8.6398 9.1100 9.1341 9.1535 9.1630 9.5707 9.6028 12.7968 12.8110 14.0379 14.0503 14.0963 14.1083 14.8713 14.8772 k = 0.0000 0.5000 0.1260 ( 2756 PWs) bands (ev): -46.0301 -46.0301 -22.7577 -22.7570 -22.1297 -22.1292 -22.0722 -22.0713 -14.3236 -14.3236 -6.6841 -6.6823 -5.7951 -5.7922 -5.6573 -5.6560 -0.8046 -0.7884 1.0851 1.1125 1.2183 1.2279 6.3360 6.3408 7.4638 7.4852 7.6381 7.6453 7.7061 7.7384 8.0987 8.1594 8.6159 8.6518 9.0694 9.0951 9.2232 9.2325 9.5556 9.5875 12.8300 12.8450 14.0390 14.0519 14.0974 14.1098 14.9108 14.9169 k = 0.0000 0.5000 0.1386 ( 2752 PWs) bands (ev): -46.0301 -46.0301 -22.7581 -22.7573 -22.1297 -22.1292 -22.0732 -22.0722 -14.3214 -14.3214 -6.6702 -6.6682 -5.7919 -5.7887 -5.6641 -5.6627 -0.8086 -0.7913 1.0805 1.1092 1.2096 1.2188 6.3316 6.3365 7.4199 7.4415 7.6359 7.6406 7.6654 7.6955 8.0889 8.1490 8.6290 8.6666 9.0313 9.0570 9.2926 9.3012 9.5373 9.5689 12.8669 12.8826 14.0412 14.0546 14.0985 14.1116 14.9497 14.9560 k = 0.0000 0.5000 0.1512 ( 2756 PWs) bands (ev): -46.0301 -46.0301 -22.7585 -22.7577 -22.1297 -22.1292 -22.0743 -22.0733 -14.3190 -14.3189 -6.6552 -6.6530 -5.7885 -5.7851 -5.6713 -5.6698 -0.8128 -0.7945 1.0752 1.1046 1.2016 1.2097 6.3269 6.3320 7.3682 7.3884 7.6181 7.6334 7.6467 7.6598 8.0764 8.1353 8.6459 8.6841 8.9966 9.0224 9.3601 9.3679 9.5164 9.5478 12.9073 12.9235 14.0444 14.0586 14.0996 14.1136 14.9872 14.9937 k = 0.0000 0.5000 0.1638 ( 2756 PWs) bands (ev): -46.0300 -46.0300 -22.7589 -22.7581 -22.1298 -22.1292 -22.0755 -22.0745 -14.3164 -14.3164 -6.6392 -6.6368 -5.7850 -5.7813 -5.6789 -5.6774 -0.8172 -0.7979 1.0692 1.0985 1.1945 1.2009 6.3222 6.3273 7.3110 7.3290 7.5860 7.6133 7.6402 7.6442 8.0612 8.1183 8.6663 8.7044 8.9659 8.9921 9.4251 9.4325 9.4935 9.5249 12.9510 12.9676 14.0487 14.0640 14.1008 14.1160 15.0230 15.0296 k = 0.0000 0.5000 0.1764 ( 2754 PWs) bands (ev): -46.0300 -46.0300 -22.7594 -22.7585 -22.1298 -22.1292 -22.0767 -22.0756 -14.3137 -14.3137 -6.6223 -6.6198 -5.7813 -5.7774 -5.6870 -5.6854 -0.8217 -0.8017 1.0622 1.0908 1.1885 1.1927 6.3173 6.3224 7.2505 7.2662 7.5517 7.5782 7.6377 7.6415 8.0434 8.0983 8.6896 8.7271 8.9396 8.9667 9.4680 9.4827 9.4937 9.5079 12.9976 13.0145 14.0539 14.0707 14.1021 14.1190 15.0565 15.0633 k = 0.0000 0.5000 0.1889 ( 2754 PWs) bands (ev): -46.0300 -46.0300 -22.7598 -22.7589 -22.1298 -22.1292 -22.0780 -22.0768 -14.3109 -14.3109 -6.6046 -6.6019 -5.7775 -5.7734 -5.6954 -5.6937 -0.8263 -0.8056 1.0542 1.0815 1.1836 1.1856 6.3123 6.3173 7.1884 7.2019 7.5148 7.5391 7.6369 7.6401 8.0233 8.0756 8.7151 8.7519 8.9178 8.9467 9.4434 9.4707 9.5513 9.5570 13.0468 13.0639 14.0599 14.0787 14.1036 14.1226 15.0874 15.0943 k = 0.0000 0.5000 0.2015 ( 2752 PWs) bands (ev): -46.0299 -46.0299 -22.7603 -22.7593 -22.1299 -22.1292 -22.0793 -22.0781 -14.3081 -14.3080 -6.5861 -6.5832 -5.7737 -5.7694 -5.7040 -5.7023 -0.8310 -0.8098 1.0450 1.0708 1.1781 1.1813 6.3073 6.3122 7.1258 7.1375 7.4744 7.4966 7.6367 7.6395 8.0012 8.0506 8.7415 8.7783 8.9004 8.9326 9.4181 9.4455 9.6092 9.6145 13.0982 13.1155 14.0665 14.0877 14.1056 14.1272 15.1156 15.1227 k = 0.0000 0.5000 0.2141 ( 2750 PWs) bands (ev): -46.0299 -46.0299 -22.7608 -22.7598 -22.1300 -22.1293 -22.0806 -22.0794 -14.3051 -14.3050 -6.5670 -6.5640 -5.7699 -5.7654 -5.7129 -5.7111 -0.8358 -0.8142 1.0348 1.0589 1.1728 1.1790 6.3021 6.3069 7.0636 7.0736 7.4305 7.4508 7.6369 7.6394 7.9774 8.0240 8.7672 8.8055 8.8876 8.9252 9.3934 9.4202 9.6648 9.6698 13.1514 13.1687 14.0732 14.0966 14.1093 14.1331 15.1411 15.1483 k = 0.0000 0.5000 0.2267 ( 2754 PWs) bands (ev): -46.0298 -46.0298 -22.7613 -22.7603 -22.1301 -22.1293 -22.0819 -22.0807 -14.3021 -14.3020 -6.5473 -6.5442 -5.7661 -5.7615 -5.7219 -5.7201 -0.8406 -0.8188 1.0236 1.0461 1.1685 1.1777 6.2968 6.3014 7.0023 7.0109 7.3832 7.4017 7.6373 7.6398 7.9524 7.9959 8.7894 8.8310 8.8809 8.9257 9.3700 9.3960 9.7178 9.7226 13.2061 13.2234 14.0797 14.1023 14.1175 14.1407 15.1637 15.1711 k = 0.0000 0.5000 0.2393 ( 2750 PWs) bands (ev): -46.0298 -46.0298 -22.7618 -22.7607 -22.1301 -22.1294 -22.0832 -22.0820 -14.2990 -14.2989 -6.5272 -6.5239 -5.7624 -5.7577 -5.7309 -5.7291 -0.8454 -0.8235 1.0115 1.0327 1.1653 1.1772 6.2913 6.2957 6.9424 6.9496 7.3330 7.3499 7.6380 7.6405 7.9263 7.9669 8.8057 8.8461 8.8884 8.9351 9.3487 9.3738 9.7682 9.7727 13.2618 13.2791 14.0856 14.1050 14.1302 14.1504 15.1837 15.1912 k = 0.0000 0.5000 0.2519 ( 2752 PWs) bands (ev): -46.0298 -46.0298 -22.7623 -22.7613 -22.1302 -22.1295 -22.0845 -22.0833 -14.2959 -14.2958 -6.5068 -6.5034 -5.7591 -5.7545 -5.7396 -5.7380 -0.8502 -0.8283 0.9988 1.0189 1.1631 1.1772 6.2857 6.2899 6.8841 6.8902 7.2806 7.2959 7.6387 7.6415 7.8997 7.9373 8.8148 8.8460 8.9136 8.9529 9.3302 9.3541 9.8159 9.8202 13.3182 13.3354 14.0907 14.1068 14.1452 14.1621 15.2010 15.2086 k = 0.0000 0.5000 0.2645 ( 2746 PWs) bands (ev): -46.0297 -46.0297 -22.7628 -22.7617 -22.1303 -22.1295 -22.0858 -22.0845 -14.2928 -14.2927 -6.4861 -6.4826 -5.7568 -5.7539 -5.7469 -5.7449 -0.8549 -0.8332 0.9858 1.0049 1.1618 1.1778 6.2798 6.2837 6.8277 6.8327 7.2265 7.2404 7.6395 7.6426 7.8728 7.9075 8.8180 8.8408 8.9452 8.9769 9.3150 9.3378 9.8608 9.8649 13.3750 13.3919 14.0950 14.1083 14.1617 14.1759 15.2158 15.2236 k = 0.0000 0.5000 0.2771 ( 2746 PWs) bands (ev): -46.0297 -46.0297 -22.7633 -22.7622 -22.1304 -22.1296 -22.0870 -22.0858 -14.2897 -14.2896 -6.4654 -6.4617 -5.7610 -5.7592 -5.7494 -5.7445 -0.8596 -0.8381 0.9725 0.9908 1.1613 1.1787 6.2736 6.2773 6.7735 6.7775 7.1716 7.1842 7.6402 7.6438 7.8460 7.8778 8.8169 8.8337 8.9785 9.0044 9.3038 9.3254 9.9029 9.9069 13.4316 13.4484 14.0985 14.1096 14.1795 14.1915 15.2284 15.2363 k = 0.0000 0.5000 0.2897 ( 2736 PWs) bands (ev): -46.0296 -46.0296 -22.7637 -22.7627 -22.1305 -22.1297 -22.0882 -22.0870 -14.2866 -14.2866 -6.4446 -6.4409 -5.7694 -5.7674 -5.7471 -5.7418 -0.8641 -0.8430 0.9593 0.9768 1.1615 1.1799 6.2670 6.2704 6.7217 6.7247 7.1166 7.1279 7.6407 7.6450 7.8196 7.8485 8.8124 8.8251 9.0118 9.0337 9.2968 9.3174 9.9423 9.9462 13.4879 13.5044 14.1016 14.1108 14.1983 14.2086 15.2388 15.2468 k = 0.0000 0.5000 0.3023 ( 2736 PWs) bands (ev): -46.0296 -46.0296 -22.7642 -22.7632 -22.1306 -22.1298 -22.0894 -22.0882 -14.2836 -14.2836 -6.4240 -6.4202 -5.7782 -5.7761 -5.7444 -5.7389 -0.8684 -0.8479 0.9462 0.9630 1.1623 1.1813 6.2599 6.2630 6.6725 6.6745 7.0622 7.0723 7.6408 7.6459 7.7941 7.8199 8.8052 8.8149 9.0443 9.0636 9.2939 9.3140 9.9790 9.9827 13.5433 13.5595 14.1041 14.1120 14.2179 14.2269 15.2473 15.2553 k = 0.0000 0.5000 0.3149 ( 2736 PWs) bands (ev): -46.0295 -46.0295 -22.7646 -22.7637 -22.1308 -22.1300 -22.0905 -22.0893 -14.2807 -14.2806 -6.4036 -6.3998 -5.7869 -5.7848 -5.7417 -5.7362 -0.8726 -0.8528 0.9335 0.9496 1.1635 1.1828 6.2522 6.2550 6.6260 6.6272 7.0089 7.0179 7.6402 7.6464 7.7700 7.7925 8.7956 8.8031 9.0753 9.0936 9.2950 9.3151 10.0130 10.0166 13.5977 13.6136 14.1064 14.1131 14.2382 14.2460 15.2540 15.2619 k = 0.0000 0.5000 0.3275 ( 2738 PWs) bands (ev): -46.0295 -46.0295 -22.7651 -22.7642 -22.1309 -22.1301 -22.0916 -22.0904 -14.2778 -14.2778 -6.3836 -6.3798 -5.7954 -5.7933 -5.7392 -5.7338 -0.8766 -0.8575 0.9211 0.9365 1.1651 1.1844 6.2437 6.2463 6.5825 6.5829 6.9575 6.9654 7.6384 7.6462 7.7480 7.7669 8.7841 8.7898 9.1045 9.1230 9.2996 9.3205 10.0443 10.0478 13.6507 13.6661 14.1083 14.1142 14.2588 14.2658 15.2591 15.2670 k = 0.0000 0.5000 0.3401 ( 2744 PWs) bands (ev): -46.0295 -46.0295 -22.7656 -22.7647 -22.1311 -22.1303 -22.0926 -22.0915 -14.2751 -14.2750 -6.3641 -6.3603 -5.8035 -5.8015 -5.7370 -5.7316 -0.8803 -0.8621 0.9094 0.9240 1.1671 1.1860 6.2344 6.2368 6.5416 6.5423 6.9084 6.9153 7.6347 7.6446 7.7288 7.7437 8.7711 8.7754 9.1318 9.1513 9.3075 9.3294 10.0731 10.0764 13.7019 13.7168 14.1101 14.1152 14.2796 14.2859 15.2627 15.2705 k = 0.0000 0.5000 0.3527 ( 2738 PWs) bands (ev): -46.0294 -46.0294 -22.7659 -22.7651 -22.1312 -22.1305 -22.0935 -22.0925 -14.2725 -14.2724 -6.3453 -6.3416 -5.8113 -5.8093 -5.7350 -5.7297 -0.8838 -0.8666 0.8983 0.9121 1.1692 1.1877 6.2241 6.2263 6.5039 6.5053 6.8622 6.8680 7.6284 7.6408 7.7134 7.7240 8.7571 8.7602 9.1571 9.1779 9.3180 9.3412 10.0993 10.1024 13.7510 13.7654 14.1116 14.1162 14.3003 14.3059 15.2652 15.2728 k = 0.0000 0.5000 0.3653 ( 2742 PWs) bands (ev): -46.0294 -46.0294 -22.7664 -22.7656 -22.1314 -22.1307 -22.0944 -22.0934 -14.2700 -14.2700 -6.3273 -6.3236 -5.8187 -5.8167 -5.7332 -5.7282 -0.8870 -0.8709 0.8879 0.9009 1.1716 1.1892 6.2127 6.2149 6.4697 6.4719 6.8192 6.8241 7.6189 7.6336 7.7023 7.7092 8.7424 8.7448 9.1806 9.2024 9.3308 9.3548 10.1231 10.1260 13.7977 13.8116 14.1130 14.1172 14.3207 14.3257 15.2665 15.2739 k = 0.0000 0.5000 0.3779 ( 2750 PWs) bands (ev): -46.0294 -46.0294 -22.7668 -22.7660 -22.1316 -22.1309 -22.0952 -22.0943 -14.2677 -14.2677 -6.3102 -6.3066 -5.8256 -5.8237 -5.7318 -5.7269 -0.8899 -0.8750 0.8783 0.8904 1.1741 1.1907 6.2004 6.2026 6.4391 6.4419 6.7797 6.7837 7.6069 7.6226 7.6953 7.6996 8.7277 8.7295 9.2023 9.2245 9.3453 9.3695 10.1445 10.1472 13.8418 13.8550 14.1142 14.1180 14.3405 14.3449 15.2670 15.2741 k = 0.0000 0.5000 0.3905 ( 2752 PWs) bands (ev): -46.0294 -46.0294 -22.7671 -22.7664 -22.1318 -22.1311 -22.0959 -22.0951 -14.2655 -14.2655 -6.2941 -6.2908 -5.8320 -5.8302 -5.7305 -5.7259 -0.8925 -0.8789 0.8696 0.8806 1.1766 1.1921 6.1873 6.1896 6.4123 6.4155 6.7440 6.7472 7.5934 7.6088 7.6913 7.6943 8.7133 8.7146 9.2223 9.2442 9.3607 9.3844 10.1635 10.1661 13.8828 13.8953 14.1153 14.1189 14.3593 14.3633 15.2667 15.2735 k = 0.0000 0.5000 0.4031 ( 2742 PWs) bands (ev): -46.0293 -46.0293 -22.7673 -22.7667 -22.1319 -22.1313 -22.0965 -22.0957 -14.2636 -14.2636 -6.2793 -6.2761 -5.8379 -5.8361 -5.7295 -5.7252 -0.8948 -0.8825 0.8617 0.8717 1.1791 1.1933 6.1738 6.1761 6.3890 6.3925 6.7122 6.7148 7.5797 7.5940 7.6894 7.6918 8.6996 8.7006 9.2405 9.2614 9.3766 9.3990 10.1804 10.1827 13.9206 13.9323 14.1163 14.1197 14.3771 14.3806 15.2660 15.2722 k = 0.0000 0.5000 0.4157 ( 2730 PWs) bands (ev): -46.0293 -46.0293 -22.7675 -22.7670 -22.1319 -22.1314 -22.0970 -22.0963 -14.2618 -14.2618 -6.2657 -6.2628 -5.8431 -5.8415 -5.7286 -5.7248 -0.8968 -0.8858 0.8548 0.8637 1.1816 1.1943 6.1603 6.1625 6.3692 6.3728 6.6845 6.6865 7.5666 7.5793 7.6886 7.6906 8.6868 8.6877 9.2570 9.2762 9.3922 9.4128 10.1951 10.1972 13.9548 13.9656 14.1171 14.1204 14.3935 14.3965 15.2648 15.2706 k = 0.0000 0.5000 0.4283 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7677 -22.7673 -22.1320 -22.1316 -22.0975 -22.0969 -14.2603 -14.2603 -6.2536 -6.2510 -5.8477 -5.8462 -5.7280 -5.7245 -0.8984 -0.8889 0.8488 0.8566 1.1840 1.1951 6.1473 6.1493 6.3525 6.3560 6.6607 6.6623 7.5547 7.5657 7.6886 7.6903 8.6753 8.6761 9.2716 9.2887 9.4069 9.4252 10.2077 10.2095 13.9851 13.9950 14.1178 14.1211 14.4082 14.4108 15.2635 15.2686 k = 0.0000 0.5000 0.4409 ( 2728 PWs) bands (ev): -46.0292 -46.0292 -22.7679 -22.7675 -22.1321 -22.1317 -22.0978 -22.0974 -14.2589 -14.2589 -6.2431 -6.2409 -5.8516 -5.8503 -5.7274 -5.7245 -0.8996 -0.8916 0.8439 0.8504 1.1862 1.1957 6.1353 6.1370 6.3388 6.3420 6.6410 6.6421 7.5443 7.5535 7.6890 7.6903 8.6652 8.6659 9.2844 9.2990 9.4203 9.4359 10.2183 10.2198 14.0114 14.0202 14.1184 14.1217 14.4211 14.4233 15.2621 15.2665 k = 0.0000 0.5000 0.4535 ( 2728 PWs) bands (ev): -46.0292 -46.0292 -22.7681 -22.7678 -22.1322 -22.1319 -22.0981 -22.0978 -14.2578 -14.2578 -6.2343 -6.2324 -5.8548 -5.8537 -5.7270 -5.7245 -0.9005 -0.8940 0.8399 0.8452 1.1883 1.1960 6.1248 6.1263 6.3279 6.3306 6.6251 6.6259 7.5358 7.5431 7.6895 7.6905 8.6568 8.6574 9.2952 9.3071 9.4320 9.4447 10.2269 10.2281 14.0333 14.0410 14.1189 14.1222 14.4320 14.4337 15.2608 15.2645 k = 0.0000 0.5000 0.4661 ( 2726 PWs) bands (ev): -46.0292 -46.0292 -22.7682 -22.7679 -22.1322 -22.1320 -22.0984 -22.0981 -14.2570 -14.2570 -6.2273 -6.2258 -5.8572 -5.8564 -5.7266 -5.7247 -0.9010 -0.8961 0.8369 0.8409 1.1902 1.1960 6.1162 6.1174 6.3196 6.3217 6.6129 6.6134 7.5292 7.5347 7.6900 7.6908 8.6501 8.6506 9.3041 9.3131 9.4418 9.4514 10.2336 10.2345 14.0508 14.0572 14.1195 14.1226 14.4407 14.4420 15.2598 15.2626 k = 0.0000 0.5000 0.4787 ( 2732 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7681 -22.1323 -22.1321 -22.0985 -22.0983 -14.2564 -14.2564 -6.2221 -6.2211 -5.8590 -5.8584 -5.7263 -5.7250 -0.9011 -0.8978 0.8350 0.8377 1.1918 1.1957 6.1099 6.1107 6.3138 6.3153 6.6044 6.6047 7.5246 7.5283 7.6905 7.6910 8.6453 8.6456 9.3109 9.3169 9.4493 9.4558 10.2384 10.2390 14.0638 14.0684 14.1201 14.1226 14.4470 14.4479 15.2591 15.2610 k = 0.0000 0.5000 0.4913 ( 2734 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7682 -22.1323 -22.1322 -22.0986 -22.0985 -14.2560 -14.2560 -6.2189 -6.2184 -5.8600 -5.8597 -5.7259 -5.7253 -0.9008 -0.8992 0.8341 0.8355 1.1932 1.1952 6.1061 6.1065 6.3105 6.3113 6.5993 6.5994 7.5223 7.5241 7.6908 7.6911 8.6424 8.6426 9.3156 9.3186 9.4546 9.4578 10.2413 10.2416 14.0721 14.0746 14.1209 14.1224 14.4510 14.4514 15.2589 15.2599 k = 0.0000 0.5000 0.5039 ( 2736 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7683 -22.1323 -22.1323 -22.0986 -22.0986 -14.2559 -14.2559 -6.2176 -6.2176 -5.8602 -5.8602 -5.7256 -5.7256 -0.9002 -0.9002 0.8343 0.8343 1.1943 1.1943 6.1050 6.1050 6.3097 6.3097 6.5977 6.5977 7.5221 7.5221 7.6910 7.6910 8.6415 8.6415 9.3182 9.3182 9.4574 9.4574 10.2424 10.2424 14.0757 14.0757 14.1217 14.1217 14.4524 14.4524 15.2591 15.2591 k = 0.0000 0.5000 0.5039 ( 2736 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7683 -22.1323 -22.1323 -22.0986 -22.0986 -14.2559 -14.2559 -6.2176 -6.2176 -5.8602 -5.8602 -5.7256 -5.7256 -0.9002 -0.9002 0.8343 0.8343 1.1943 1.1943 6.1050 6.1050 6.3097 6.3097 6.5977 6.5977 7.5221 7.5221 7.6910 7.6910 8.6415 8.6415 9.3182 9.3182 9.4574 9.4574 10.2424 10.2424 14.0757 14.0757 14.1217 14.1217 14.4524 14.4524 15.2591 15.2591 k = 0.0128 0.5000 0.5039 ( 2734 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7683 -22.1323 -22.1322 -22.0987 -22.0987 -14.2558 -14.2558 -6.2169 -6.2168 -5.8599 -5.8599 -5.7254 -5.7253 -0.9023 -0.9003 0.8330 0.8332 1.1907 1.1937 6.1050 6.1050 6.3124 6.3131 6.5977 6.5977 7.5230 7.5231 7.6916 7.6920 8.6366 8.6370 9.3193 9.3194 9.4580 9.4583 10.2425 10.2425 14.0763 14.0768 14.1217 14.1227 14.4528 14.4528 15.2640 15.2651 k = 0.0256 0.5000 0.5039 ( 2732 PWs) bands (ev): -46.0292 -46.0292 -22.7684 -22.7683 -22.1324 -22.1322 -22.0988 -22.0988 -14.2555 -14.2555 -6.2145 -6.2144 -5.8592 -5.8592 -5.7248 -5.7244 -0.9066 -0.9025 0.8291 0.8296 1.1829 1.1887 6.1050 6.1051 6.3211 6.3225 6.5977 6.5977 7.5257 7.5259 7.6938 7.6945 8.6224 8.6231 9.3227 9.3230 9.4600 9.4606 10.2428 10.2428 14.0785 14.0795 14.1226 14.1245 14.4540 14.4540 15.2797 15.2817 k = 0.0384 0.5000 0.5039 ( 2732 PWs) bands (ev): -46.0292 -46.0292 -22.7686 -22.7684 -22.1324 -22.1322 -22.0990 -22.0990 -14.2550 -14.2550 -6.2106 -6.2104 -5.8578 -5.8578 -5.7236 -5.7230 -0.9129 -0.9069 0.8229 0.8235 1.1709 1.1796 6.1051 6.1052 6.3358 6.3379 6.5977 6.5977 7.5301 7.5305 7.6975 7.6986 8.5992 8.6001 9.3285 9.3288 9.4635 9.4644 10.2434 10.2434 14.0823 14.0837 14.1245 14.1272 14.4558 14.4559 15.3057 15.3087 k = 0.0511 0.5000 0.5039 ( 2740 PWs) bands (ev): -46.0292 -46.0292 -22.7688 -22.7685 -22.1326 -22.1323 -22.0993 -22.0993 -14.2543 -14.2543 -6.2051 -6.2048 -5.8560 -5.8560 -5.7219 -5.7211 -0.9214 -0.9134 0.8142 0.8151 1.1549 1.1664 6.1051 6.1053 6.3562 6.3589 6.5978 6.5978 7.5362 7.5367 7.7027 7.7042 8.5673 8.5684 9.3365 9.3369 9.4685 9.4696 10.2441 10.2441 14.0877 14.0896 14.1275 14.1310 14.4585 14.4585 15.3417 15.3455 k = 0.0639 0.5000 0.5039 ( 2742 PWs) bands (ev): -46.0292 -46.0292 -22.7690 -22.7687 -22.1327 -22.1324 -22.0997 -22.0997 -14.2534 -14.2534 -6.1980 -6.1977 -5.8537 -5.8537 -5.7197 -5.7187 -0.9319 -0.9220 0.8033 0.8044 1.1352 1.1493 6.1052 6.1054 6.3823 6.3854 6.5978 6.5979 7.5437 7.5443 7.7094 7.7113 8.5273 8.5286 9.3466 9.3472 9.4749 9.4763 10.2451 10.2451 14.0946 14.0970 14.1318 14.1360 14.4618 14.4619 15.3871 15.3915 k = 0.0767 0.5000 0.5039 ( 2738 PWs) bands (ev): -46.0292 -46.0292 -22.7692 -22.7689 -22.1328 -22.1324 -22.1001 -22.1001 -14.2523 -14.2523 -6.1895 -6.1891 -5.8509 -5.8509 -5.7170 -5.7159 -0.9443 -0.9326 0.7901 0.7914 1.1118 1.1285 6.1053 6.1055 6.4136 6.4171 6.5979 6.5980 7.5525 7.5532 7.7175 7.7199 8.4799 8.4813 9.3590 9.3597 9.4829 9.4844 10.2463 10.2463 14.1031 14.1060 14.1375 14.1421 14.4659 14.4660 15.4410 15.4459 k = 0.0895 0.5000 0.5039 ( 2740 PWs) bands (ev): -46.0291 -46.0291 -22.7695 -22.7691 -22.1330 -22.1326 -22.1006 -22.1006 -14.2510 -14.2510 -6.1795 -6.1791 -5.8476 -5.8475 -5.7138 -5.7125 -0.9586 -0.9451 0.7748 0.7763 1.0852 1.1043 6.1054 6.1057 6.4499 6.4536 6.5980 6.5982 7.5621 7.5631 7.7270 7.7299 8.4258 8.4273 9.3734 9.3742 9.4925 9.4941 10.2477 10.2477 14.1131 14.1164 14.1447 14.1497 14.4706 14.4708 15.5026 15.5080 k = 0.1023 0.5000 0.5039 ( 2740 PWs) bands (ev): -46.0291 -46.0291 -22.7698 -22.7694 -22.1332 -22.1327 -22.1011 -22.1011 -14.2496 -14.2496 -6.1681 -6.1677 -5.8438 -5.8438 -5.7102 -5.7088 -0.9746 -0.9594 0.7575 0.7592 1.0556 1.0769 6.1055 6.1058 6.4908 6.4944 6.5982 6.5985 7.5724 7.5736 7.7378 7.7412 8.3658 8.3674 9.3899 9.3908 9.5037 9.5053 10.2493 10.2493 14.1245 14.1282 14.1535 14.1587 14.4760 14.4762 15.5710 15.5767 k = 0.1151 0.5000 0.5039 ( 2742 PWs) bands (ev): -46.0291 -46.0291 -22.7702 -22.7697 -22.1335 -22.1329 -22.1017 -22.1017 -14.2480 -14.2480 -6.1554 -6.1549 -5.8396 -5.8396 -5.7062 -5.7045 -0.9922 -0.9755 0.7383 0.7403 1.0233 1.0467 6.1055 6.1058 6.5359 6.5389 6.5983 6.5991 7.5829 7.5845 7.7498 7.7537 8.3007 8.3023 9.4083 9.4094 9.5166 9.5182 10.2511 10.2511 14.1373 14.1414 14.1639 14.1692 14.4821 14.4823 15.6453 15.6512 k = 0.1279 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0291 -46.0291 -22.7706 -22.7700 -22.1337 -22.1331 -22.1024 -22.1024 -14.2462 -14.2462 -6.1415 -6.1409 -5.8350 -5.8350 -5.7017 -5.6999 -1.0114 -0.9931 0.7174 0.7197 0.9886 1.0140 6.1055 6.1058 6.5837 6.5845 6.5988 6.6030 7.5932 7.5953 7.7628 7.7672 8.2317 8.2333 9.4287 9.4299 9.5313 9.5330 10.2530 10.2531 14.1515 14.1559 14.1758 14.1812 14.4887 14.4890 15.7245 15.7305 k = 0.1407 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0290 -46.0290 -22.7710 -22.7704 -22.1340 -22.1333 -22.1031 -22.1030 -14.2443 -14.2443 -6.1263 -6.1257 -5.8300 -5.8299 -5.6968 -5.6949 -1.0319 -1.0123 0.6950 0.6975 0.9519 0.9790 6.1054 6.1058 6.5967 6.5985 6.6370 6.6419 7.6029 7.6055 7.7765 7.7816 8.1598 8.1612 9.4509 9.4521 9.5479 9.5496 10.2551 10.2552 14.1669 14.1717 14.1893 14.1947 14.4959 14.4963 15.8076 15.8136 k = 0.1534 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0290 -46.0290 -22.7714 -22.7708 -22.1344 -22.1336 -22.1038 -22.1037 -14.2423 -14.2423 -6.1101 -6.1094 -5.8246 -5.8246 -5.6916 -5.6895 -1.0536 -1.0328 0.6712 0.6740 0.9135 0.9422 6.1052 6.1056 6.5978 6.5988 6.6918 6.6952 7.6112 7.6144 7.7905 7.7963 8.0866 8.0878 9.4748 9.4761 9.5666 9.5683 10.2574 10.2575 14.1836 14.1885 14.2043 14.2097 14.5036 14.5040 15.8936 15.8996 k = 0.1662 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0290 -46.0290 -22.7718 -22.7712 -22.1347 -22.1339 -22.1045 -22.1044 -14.2402 -14.2402 -6.0928 -6.0921 -5.8190 -5.8188 -5.6860 -5.6838 -1.0764 -1.0546 0.6462 0.6493 0.8738 0.9038 6.1048 6.1052 6.5983 6.5991 6.7490 6.7513 7.6170 7.6209 7.8039 7.8107 8.0145 8.0153 9.5003 9.5017 9.5874 9.5891 10.2597 10.2599 14.2014 14.2065 14.2207 14.2260 14.5118 14.5123 15.9814 15.9873 k = 0.1790 0.5000 0.5039 ( 2746 PWs) bands (ev): -46.0289 -46.0289 -22.7723 -22.7717 -22.1352 -22.1343 -22.1053 -22.1051 -14.2379 -14.2379 -6.0746 -6.0738 -5.8130 -5.8128 -5.6802 -5.6778 -1.1001 -1.0774 0.6202 0.6235 0.8330 0.8642 6.1042 6.1047 6.5988 6.5994 6.8079 6.8091 7.6183 7.6228 7.8139 7.8224 7.9484 7.9486 9.5273 9.5287 9.6104 9.6122 10.2622 10.2624 14.2202 14.2254 14.2383 14.2436 14.5205 14.5210 16.0700 16.0759 k = 0.1918 0.5000 0.5039 ( 2742 PWs) bands (ev): -46.0289 -46.0289 -22.7728 -22.7721 -22.1356 -22.1346 -22.1060 -22.1058 -14.2356 -14.2356 -6.0556 -6.0548 -5.8067 -5.8066 -5.6740 -5.6715 -1.1246 -1.1010 0.5933 0.5969 0.7916 0.8238 6.1034 6.1039 6.5991 6.5997 6.8680 6.8682 7.6112 7.6161 7.8122 7.8231 7.9002 7.9018 9.5555 9.5569 9.6358 9.6375 10.2648 10.2651 14.2400 14.2452 14.2570 14.2623 14.5295 14.5301 16.1584 16.1642 k = 0.2046 0.5000 0.5039 ( 2740 PWs) bands (ev): -46.0289 -46.0289 -22.7733 -22.7726 -22.1361 -22.1351 -22.1067 -22.1065 -14.2332 -14.2332 -6.0360 -6.0351 -5.8003 -5.8001 -5.6676 -5.6650 -1.1497 -1.1255 0.5658 0.5697 0.7497 0.7827 6.1023 6.1028 6.5995 6.6000 6.9274 6.9291 7.5889 7.5936 7.7904 7.8017 7.8893 7.8894 9.5849 9.5862 9.6634 9.6652 10.2675 10.2678 14.2606 14.2658 14.2769 14.2821 14.5389 14.5396 16.2454 16.2513 k = 0.2174 0.5000 0.5039 ( 2732 PWs) bands (ev): -46.0288 -46.0288 -22.7738 -22.7731 -22.1366 -22.1355 -22.1074 -22.1072 -14.2307 -14.2307 -6.0157 -6.0148 -5.7936 -5.7934 -5.6610 -5.6583 -1.1752 -1.1505 0.5377 0.5420 0.7077 0.7413 6.1008 6.1014 6.5999 6.6004 6.9868 6.9903 7.5462 7.5503 7.7690 7.7809 7.8968 7.8984 9.6154 9.6165 9.6933 9.6952 10.2703 10.2706 14.2819 14.2870 14.2976 14.3029 14.5486 14.5494 16.3301 16.3359 k = 0.2302 0.5000 0.5039 ( 2734 PWs) bands (ev): -46.0288 -46.0288 -22.7743 -22.7736 -22.1371 -22.1360 -22.1081 -22.1078 -14.2282 -14.2282 -5.9950 -5.9941 -5.7868 -5.7865 -5.6543 -5.6515 -1.2010 -1.1759 0.5094 0.5140 0.6658 0.6999 6.0989 6.0995 6.6003 6.6007 7.0455 7.0509 7.4865 7.4901 7.7595 7.7728 7.9098 7.9122 9.6467 9.6477 9.7252 9.7272 10.2731 10.2735 14.3038 14.3087 14.3191 14.3244 14.5585 14.5594 16.4111 16.4171 k = 0.2429 0.5000 0.5039 ( 2734 PWs) bands (ev): -46.0288 -46.0288 -22.7749 -22.7741 -22.1377 -22.1366 -22.1087 -22.1084 -14.2256 -14.2256 -5.9740 -5.9730 -5.7799 -5.7796 -5.6474 -5.6445 -1.2268 -1.2016 0.4810 0.4860 0.6244 0.6587 6.0966 6.0971 6.6007 6.6011 7.1029 7.1104 7.4177 7.4208 7.7588 7.7739 7.9241 7.9271 9.6788 9.6797 9.7591 9.7612 10.2759 10.2764 14.3261 14.3309 14.3413 14.3465 14.5686 14.5696 16.4875 16.4937 k = 0.2557 0.5000 0.5039 ( 2738 PWs) bands (ev): -46.0287 -46.0287 -22.7754 -22.7747 -22.1384 -22.1373 -22.1093 -22.1090 -14.2231 -14.2231 -5.9528 -5.9518 -5.7730 -5.7726 -5.6404 -5.6375 -1.2526 -1.2274 0.4527 0.4580 0.5836 0.6180 6.0936 6.0942 6.6011 6.6014 7.1576 7.1673 7.3461 7.3488 7.7632 7.7803 7.9385 7.9418 9.7117 9.7124 9.7945 9.7967 10.2788 10.2793 14.3487 14.3532 14.3640 14.3692 14.5789 14.5800 16.5581 16.5647 k = 0.2685 0.5000 0.5039 ( 2738 PWs) bands (ev): -46.0287 -46.0287 -22.7759 -22.7752 -22.1390 -22.1379 -22.1099 -22.1096 -14.2205 -14.2205 -5.9316 -5.9305 -5.7660 -5.7655 -5.6334 -5.6305 -1.2781 -1.2530 0.4246 0.4302 0.5437 0.5781 6.0899 6.0905 6.6015 6.6018 7.2044 7.2143 7.2816 7.2820 7.7707 7.7898 7.9526 7.9561 9.7452 9.7458 9.8311 9.8334 10.2816 10.2822 14.3714 14.3757 14.3871 14.3923 14.5893 14.5905 16.6220 16.6292 k = 0.2813 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0286 -46.0286 -22.7765 -22.7758 -22.1398 -22.1386 -22.1105 -22.1102 -14.2180 -14.2180 -5.9104 -5.9093 -5.7591 -5.7585 -5.6264 -5.6235 -1.3032 -1.2785 0.3970 0.4029 0.5049 0.5390 6.0855 6.0861 6.6019 6.6022 7.1869 7.1877 7.2769 7.2899 7.7805 7.8017 7.9660 7.9697 9.7792 9.7796 9.8687 9.8710 10.2844 10.2852 14.3940 14.3981 14.4104 14.4155 14.5998 14.6010 16.6784 16.6864 k = 0.2941 0.5000 0.5039 ( 2742 PWs) bands (ev): -46.0286 -46.0286 -22.7770 -22.7763 -22.1404 -22.1393 -22.1109 -22.1106 -14.2155 -14.2155 -5.8895 -5.8883 -5.7522 -5.7516 -5.6195 -5.6165 -1.3278 -1.3035 0.3699 0.3762 0.4674 0.5011 6.0803 6.0809 6.6023 6.6025 7.1204 7.1223 7.3195 7.3362 7.7924 7.8155 7.9786 7.9824 9.8135 9.8138 9.9068 9.9092 10.2872 10.2881 14.4163 14.4202 14.4339 14.4389 14.6104 14.6116 16.7268 16.7359 k = 0.3069 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0286 -46.0286 -22.7775 -22.7768 -22.1411 -22.1400 -22.1114 -22.1111 -14.2130 -14.2130 -5.8690 -5.8677 -5.7454 -5.7447 -5.6126 -5.6097 -1.3517 -1.3280 0.3436 0.3502 0.4314 0.4646 6.0741 6.0747 6.6026 6.6028 7.0539 7.0559 7.3625 7.3817 7.8063 7.8312 7.9902 7.9942 9.8478 9.8481 9.9451 9.9475 10.2899 10.2909 14.4382 14.4420 14.4573 14.4621 14.6209 14.6223 16.7670 16.7774 k = 0.3197 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0285 -46.0285 -22.7780 -22.7774 -22.1419 -22.1408 -22.1118 -22.1115 -14.2107 -14.2106 -5.8489 -5.8476 -5.7388 -5.7380 -5.6059 -5.6031 -1.3747 -1.3518 0.3182 0.3251 0.3970 0.4295 6.0670 6.0675 6.6029 6.6031 6.9905 6.9924 7.4022 7.4232 7.8225 7.8486 8.0009 8.0050 9.8821 9.8822 9.9832 9.9856 10.2926 10.2937 14.4596 14.4631 14.4805 14.4850 14.6315 14.6328 16.7993 16.8112 k = 0.3325 0.5000 0.5039 ( 2742 PWs) bands (ev): -46.0285 -46.0285 -22.7785 -22.7779 -22.1426 -22.1415 -22.1121 -22.1118 -14.2084 -14.2084 -5.8296 -5.8282 -5.7324 -5.7315 -5.5994 -5.5966 -1.3967 -1.3747 0.2938 0.3010 0.3645 0.3961 6.0588 6.0593 6.6032 6.6033 6.9310 6.9328 7.4377 7.4601 7.8409 7.8676 8.0107 8.0149 9.9159 9.9160 10.0207 10.0231 10.2951 10.2964 14.4802 14.4835 14.5032 14.5076 14.6420 14.6433 16.8244 16.8380 k = 0.3452 0.5000 0.5039 ( 2740 PWs) bands (ev): -46.0285 -46.0285 -22.7789 -22.7783 -22.1432 -22.1422 -22.1124 -22.1121 -14.2062 -14.2062 -5.8110 -5.8096 -5.7262 -5.7252 -5.5931 -5.5904 -1.4176 -1.3967 0.2706 0.2780 0.3340 0.3645 6.0496 6.0501 6.6034 6.6034 6.8762 6.8778 7.4689 7.4918 7.8615 7.8880 8.0195 8.0239 9.9490 9.9490 10.0573 10.0598 10.2976 10.2991 14.4999 14.5030 14.5254 14.5295 14.6524 14.6537 16.8429 16.8583 k = 0.3580 0.5000 0.5039 ( 2744 PWs) bands (ev): -46.0284 -46.0284 -22.7794 -22.7788 -22.1439 -22.1429 -22.1127 -22.1124 -14.2041 -14.2041 -5.7934 -5.7920 -5.7203 -5.7192 -5.5871 -5.5845 -1.4372 -1.4175 0.2487 0.2563 0.3056 0.3348 6.0395 6.0399 6.6035 6.6035 6.8262 6.8277 7.4958 7.5186 7.8838 7.9093 8.0273 8.0320 9.9810 9.9811 10.0926 10.0951 10.2999 10.3016 14.5184 14.5213 14.5468 14.5506 14.6627 14.6640 16.8559 16.8732 k = 0.3708 0.5000 0.5039 ( 2746 PWs) bands (ev): -46.0284 -46.0284 -22.7798 -22.7793 -22.1445 -22.1436 -22.1129 -22.1127 -14.2022 -14.2021 -5.7770 -5.7754 -5.7146 -5.7134 -5.5815 -5.5790 -1.4554 -1.4370 0.2283 0.2360 0.2795 0.3072 6.0285 6.0289 6.6034 6.6034 6.7814 6.7828 7.5186 7.5405 7.9074 7.9311 8.0343 8.0393 10.0117 10.0118 10.1262 10.1288 10.3020 10.3040 14.5357 14.5383 14.5672 14.5707 14.6729 14.6741 16.8644 16.8836 k = 0.3836 0.5000 0.5039 ( 2750 PWs) bands (ev): -46.0284 -46.0284 -22.7802 -22.7797 -22.1451 -22.1443 -22.1132 -22.1129 -14.2004 -14.2003 -5.7618 -5.7601 -5.7093 -5.7079 -5.5762 -5.5739 -1.4722 -1.4552 0.2094 0.2170 0.2558 0.2818 6.0169 6.0172 6.6030 6.6031 6.7420 6.7431 7.5378 7.5582 7.9315 7.9527 8.0405 8.0459 10.0407 10.0408 10.1578 10.1606 10.3040 10.3063 14.5516 14.5539 14.5864 14.5897 14.6828 14.6839 16.8694 16.8905 k = 0.3964 0.5000 0.5039 ( 2752 PWs) bands (ev): -46.0284 -46.0284 -22.7805 -22.7801 -22.1457 -22.1449 -22.1133 -22.1131 -14.1987 -14.1987 -5.7480 -5.7462 -5.7043 -5.7027 -5.5713 -5.5692 -1.4874 -1.4720 0.1922 0.1996 0.2346 0.2586 6.0049 6.0052 6.6023 6.6025 6.7079 6.7088 7.5536 7.5723 7.9554 7.9735 8.0460 8.0519 10.0677 10.0678 10.1871 10.1901 10.3059 10.3085 14.5659 14.5680 14.6044 14.6073 14.6924 14.6934 16.8717 16.8945 k = 0.4092 0.5000 0.5039 ( 2754 PWs) bands (ev): -46.0284 -46.0284 -22.7808 -22.7804 -22.1462 -22.1455 -22.1135 -22.1133 -14.1972 -14.1972 -5.7357 -5.7339 -5.6995 -5.6978 -5.5668 -5.5649 -1.5009 -1.4871 0.1768 0.1838 0.2160 0.2378 5.9929 5.9932 6.6010 6.6013 6.6794 6.6801 7.5667 7.5832 7.9781 7.9928 8.0508 8.0575 10.0924 10.0925 10.2136 10.2169 10.3075 10.3105 14.5786 14.5804 14.6208 14.6234 14.7016 14.7025 16.8723 16.8965 k = 0.4220 0.5000 0.5039 ( 2762 PWs) bands (ev): -46.0283 -46.0283 -22.7811 -22.7808 -22.1467 -22.1461 -22.1136 -22.1135 -14.1959 -14.1959 -5.7252 -5.7233 -5.6950 -5.6932 -5.5629 -5.5612 -1.5126 -1.5006 0.1632 0.1696 0.2001 0.2194 5.9814 5.9816 6.5987 6.5992 6.6567 6.6570 7.5774 7.5917 7.9990 8.0098 8.0552 8.0628 10.1145 10.1146 10.2372 10.2409 10.3090 10.3125 14.5896 14.5911 14.6355 14.6378 14.7101 14.7109 16.8717 16.8969 k = 0.4347 0.5000 0.5039 ( 2776 PWs) bands (ev): -46.0283 -46.0283 -22.7814 -22.7811 -22.1471 -22.1466 -22.1138 -22.1136 -14.1948 -14.1948 -5.7164 -5.7145 -5.6906 -5.6889 -5.5594 -5.5580 -1.5226 -1.5124 0.1516 0.1572 0.1870 0.2035 5.9706 5.9708 6.5947 6.5954 6.6400 6.6400 7.5860 7.5980 8.0172 8.0240 8.0593 8.0680 10.1337 10.1338 10.2574 10.2616 10.3104 10.3145 14.5988 14.6001 14.6484 14.6503 14.7179 14.7185 16.8707 16.8960 k = 0.4475 0.5000 0.5039 ( 2792 PWs) bands (ev): -46.0283 -46.0283 -22.7817 -22.7814 -22.1474 -22.1470 -22.1140 -22.1138 -14.1938 -14.1938 -5.7095 -5.7078 -5.6865 -5.6849 -5.5565 -5.5553 -1.5306 -1.5223 0.1421 0.1467 0.1765 0.1900 5.9611 5.9613 6.5889 6.5896 6.6291 6.6293 7.5929 7.6026 8.0321 8.0350 8.0636 8.0731 10.1498 10.1499 10.2740 10.2788 10.3117 10.3164 14.6064 14.6074 14.6592 14.6608 14.7246 14.7251 16.8699 16.8941 k = 0.4603 0.5000 0.5039 ( 2794 PWs) bands (ev): -46.0283 -46.0283 -22.7818 -22.7816 -22.1476 -22.1473 -22.1141 -22.1140 -14.1931 -14.1931 -5.7044 -5.7030 -5.6828 -5.6814 -5.5542 -5.5533 -1.5368 -1.5304 0.1346 0.1382 0.1687 0.1791 5.9533 5.9534 6.5823 6.5829 6.6232 6.6234 7.5983 7.6057 8.0427 8.0430 8.0685 8.0778 10.1627 10.1628 10.2867 10.2920 10.3132 10.3185 14.6123 14.6130 14.6679 14.6691 14.7302 14.7305 16.8697 16.8912 k = 0.4731 0.5000 0.5039 ( 2796 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7818 -22.1478 -22.1476 -22.1141 -22.1140 -14.1926 -14.1926 -5.7008 -5.6998 -5.6797 -5.6787 -5.5524 -5.5518 -1.5410 -1.5365 0.1293 0.1318 0.1636 0.1708 5.9473 5.9474 6.5764 6.5769 6.6202 6.6204 7.6024 7.6075 8.0482 8.0490 8.0741 8.0814 10.1721 10.1722 10.2956 10.3004 10.3156 10.3204 14.6165 14.6170 14.6744 14.6752 14.7343 14.7346 16.8707 16.8874 k = 0.4859 0.5000 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1478 -22.1142 -22.1141 -14.1922 -14.1922 -5.6987 -5.6981 -5.6775 -5.6770 -5.5513 -5.5510 -1.5431 -1.5407 0.1263 0.1276 0.1611 0.1650 5.9436 5.9436 6.5725 6.5728 6.6188 6.6189 7.6053 7.6081 8.0513 8.0520 8.0790 8.0832 10.1780 10.1780 10.3009 10.3040 10.3187 10.3217 14.6192 14.6194 14.6784 14.6789 14.7370 14.7371 16.8731 16.8830 k = 0.4987 0.5000 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1478 -22.1141 -22.1141 -14.1921 -14.1921 -5.6978 -5.6977 -5.6765 -5.6764 -5.5508 -5.5507 -1.5433 -1.5429 0.1255 0.1257 0.1611 0.1618 5.9422 5.9422 6.5711 6.5711 6.6184 6.6184 7.6071 7.6076 8.0527 8.0528 8.0820 8.0828 10.1802 10.1802 10.3036 10.3041 10.3211 10.3216 14.6202 14.6203 14.6801 14.6802 14.7380 14.7380 16.8769 16.8786 k = 0.4987 0.5000 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1478 -22.1141 -22.1141 -14.1921 -14.1921 -5.6978 -5.6977 -5.6765 -5.6764 -5.5508 -5.5507 -1.5433 -1.5429 0.1255 0.1257 0.1611 0.1618 5.9422 5.9422 6.5711 6.5711 6.6184 6.6184 7.6071 7.6076 8.0527 8.0528 8.0820 8.0828 10.1802 10.1802 10.3036 10.3041 10.3211 10.3216 14.6202 14.6203 14.6801 14.6802 14.7380 14.7380 16.8769 16.8786 k = 0.4898 0.4911 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1477 -22.1142 -22.1141 -14.1922 -14.1922 -5.6986 -5.6979 -5.6778 -5.6771 -5.5514 -5.5509 -1.5435 -1.5403 0.1261 0.1279 0.1605 0.1657 5.9435 5.9436 6.5727 6.5730 6.6188 6.6189 7.6048 7.6085 8.0507 8.0515 8.0788 8.0844 10.1779 10.1780 10.3006 10.3048 10.3178 10.3219 14.6191 14.6194 14.6783 14.6789 14.7369 14.7371 16.8705 16.8834 k = 0.4809 0.4821 0.5039 ( 2796 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7817 -22.1478 -22.1475 -22.1141 -22.1140 -14.1926 -14.1926 -5.7005 -5.6992 -5.6803 -5.6791 -5.5526 -5.5517 -1.5417 -1.5357 0.1289 0.1323 0.1624 0.1722 5.9470 5.9471 6.5771 6.5777 6.6198 6.6201 7.6013 7.6082 8.0464 8.0468 8.0752 8.0845 10.1723 10.1724 10.2957 10.3038 10.3120 10.3201 14.6164 14.6170 14.6741 14.6753 14.7342 14.7345 16.8645 16.8862 k = 0.4720 0.4732 0.5039 ( 2792 PWs) bands (ev): -46.0283 -46.0283 -22.7818 -22.7816 -22.1477 -22.1473 -22.1141 -22.1139 -14.1931 -14.1931 -5.7035 -5.7020 -5.6836 -5.6823 -5.5544 -5.5531 -1.5380 -1.5292 0.1338 0.1386 0.1670 0.1812 5.9527 5.9528 6.5842 6.5851 6.6216 6.6219 7.5966 7.6068 8.0381 8.0398 8.0718 8.0833 10.1634 10.1635 10.2885 10.3003 10.3049 10.3165 14.6121 14.6130 14.6676 14.6693 14.7299 14.7304 16.8602 16.8879 k = 0.4631 0.4643 0.5039 ( 2784 PWs) bands (ev): -46.0283 -46.0283 -22.7817 -22.7813 -22.1475 -22.1469 -22.1140 -22.1138 -14.1938 -14.1938 -5.7083 -5.7070 -5.6871 -5.6860 -5.5567 -5.5551 -1.5324 -1.5209 0.1405 0.1465 0.1746 0.1929 5.9603 5.9604 6.5941 6.5952 6.6241 6.6246 7.5906 7.6042 8.0256 8.0309 8.0687 8.0810 10.1512 10.1513 10.2788 10.2909 10.2998 10.3116 14.6064 14.6075 14.6587 14.6609 14.7241 14.7247 16.8583 16.8899 k = 0.4542 0.4554 0.5039 ( 2764 PWs) bands (ev): -46.0283 -46.0283 -22.7814 -22.7810 -22.1471 -22.1464 -22.1138 -22.1136 -14.1948 -14.1948 -5.7153 -5.7146 -5.6902 -5.6897 -5.5596 -5.5576 -1.5250 -1.5108 0.1490 0.1557 0.1855 0.2074 5.9699 5.9700 6.6066 6.6079 6.6275 6.6280 7.5831 7.6003 8.0098 8.0198 8.0657 8.0780 10.1358 10.1359 10.2666 10.2777 10.2948 10.3055 14.5991 14.6005 14.6475 14.6502 14.7169 14.7175 16.8593 16.8933 k = 0.4453 0.4464 0.5039 ( 2764 PWs) bands (ev): -46.0283 -46.0283 -22.7812 -22.7807 -22.1467 -22.1459 -22.1137 -22.1135 -14.1959 -14.1959 -5.7249 -5.7248 -5.6932 -5.6928 -5.5629 -5.5606 -1.5158 -1.4990 0.1591 0.1658 0.1999 0.2247 5.9813 5.9814 6.6216 6.6230 6.6319 6.6324 7.5741 7.5950 7.9912 8.0065 8.0625 8.0744 10.1174 10.1175 10.2520 10.2621 10.2889 10.2983 14.5904 14.5920 14.6338 14.6371 14.7082 14.7090 16.8632 16.8988 k = 0.4363 0.4375 0.5039 ( 2760 PWs) bands (ev): -46.0284 -46.0284 -22.7809 -22.7804 -22.1463 -22.1453 -22.1136 -22.1133 -14.1972 -14.1972 -5.7374 -5.7366 -5.6966 -5.6953 -5.5666 -5.5640 -1.5050 -1.4856 0.1707 0.1769 0.2177 0.2448 5.9944 5.9945 6.6360 6.6365 6.6405 6.6419 7.5633 7.5880 7.9706 7.9914 8.0592 8.0704 10.0960 10.0962 10.2350 10.2444 10.2818 10.2901 14.5802 14.5820 14.6178 14.6216 14.6982 14.6990 16.8701 16.9065 k = 0.4274 0.4286 0.5039 ( 2760 PWs) bands (ev): -46.0284 -46.0284 -22.7806 -22.7800 -22.1458 -22.1447 -22.1135 -22.1132 -14.1987 -14.1987 -5.7520 -5.7505 -5.6998 -5.6978 -5.5707 -5.5678 -1.4925 -1.4706 0.1838 0.1891 0.2386 0.2675 6.0089 6.0091 6.6426 6.6434 6.6601 6.6619 7.5505 7.5791 7.9483 7.9750 8.0556 8.0661 10.0719 10.0721 10.2160 10.2250 10.2735 10.2809 14.5686 14.5706 14.5995 14.6037 14.6869 14.6878 16.8796 16.9164 k = 0.4185 0.4196 0.5039 ( 2756 PWs) bands (ev): -46.0284 -46.0284 -22.7803 -22.7796 -22.1452 -22.1440 -22.1134 -22.1130 -14.2004 -14.2004 -5.7685 -5.7664 -5.7031 -5.7004 -5.5751 -5.5719 -1.4785 -1.4542 0.1983 0.2025 0.2623 0.2929 6.0247 6.0250 6.6500 6.6508 6.6827 6.6846 7.5355 7.5679 7.9254 7.9578 8.0517 8.0616 10.0452 10.0454 10.1954 10.2041 10.2639 10.2706 14.5555 14.5578 14.5789 14.5836 14.6745 14.6753 16.8913 16.9281 k = 0.4096 0.4107 0.5039 ( 2752 PWs) bands (ev): -46.0284 -46.0284 -22.7799 -22.7791 -22.1446 -22.1433 -22.1132 -22.1128 -14.2023 -14.2023 -5.7867 -5.7842 -5.7065 -5.7032 -5.5797 -5.5763 -1.4631 -1.4365 0.2142 0.2172 0.2887 0.3206 6.0416 6.0420 6.6587 6.6595 6.7077 6.7096 7.5181 7.5540 7.9024 7.9404 8.0477 8.0569 10.0162 10.0163 10.1732 10.1819 10.2531 10.2591 14.5408 14.5434 14.5564 14.5614 14.6609 14.6617 16.9048 16.9411 k = 0.4007 0.4018 0.5039 ( 2752 PWs) bands (ev): -46.0285 -46.0285 -22.7795 -22.7787 -22.1439 -22.1425 -22.1131 -22.1126 -14.2043 -14.2043 -5.8066 -5.8036 -5.7100 -5.7062 -5.5844 -5.5808 -1.4464 -1.4176 0.2313 0.2332 0.3174 0.3507 6.0593 6.0599 6.6688 6.6697 6.7350 6.7369 7.4980 7.5371 7.8803 7.9235 8.0435 8.0520 9.9850 9.9850 10.1499 10.1587 10.2411 10.2465 14.5229 14.5267 14.5334 14.5380 14.6463 14.6471 16.9192 16.9548 k = 0.3918 0.3929 0.5039 ( 2748 PWs) bands (ev): -46.0285 -46.0285 -22.7790 -22.7781 -22.1431 -22.1416 -22.1129 -22.1124 -14.2065 -14.2065 -5.8279 -5.8246 -5.7137 -5.7094 -5.5892 -5.5854 -1.4284 -1.3977 0.2498 0.2505 0.3483 0.3829 6.0775 6.0784 6.6806 6.6814 6.7643 6.7661 7.4753 7.5167 7.8598 7.9075 8.0393 8.0472 9.9518 9.9519 10.1256 10.1347 10.2277 10.2326 14.4985 14.5045 14.5137 14.5166 14.6308 14.6316 16.9337 16.9682 k = 0.3829 0.3839 0.5039 ( 2752 PWs) bands (ev): -46.0285 -46.0285 -22.7786 -22.7776 -22.1423 -22.1407 -22.1127 -22.1122 -14.2089 -14.2089 -5.8506 -5.8470 -5.7175 -5.7128 -5.5940 -5.5901 -1.4095 -1.3767 0.2690 0.2694 0.3811 0.4170 6.0960 6.0971 6.6941 6.6949 6.7956 6.7972 7.4499 7.4927 7.8417 7.8931 8.0352 8.0424 9.9169 9.9171 10.1006 10.1101 10.2130 10.2175 14.4691 14.4763 14.4955 14.4980 14.6145 14.6151 16.9472 16.9801 k = 0.3740 0.3750 0.5039 ( 2748 PWs) bands (ev): -46.0286 -46.0286 -22.7780 -22.7770 -22.1414 -22.1397 -22.1125 -22.1120 -14.2115 -14.2114 -5.8747 -5.8707 -5.7215 -5.7164 -5.5988 -5.5947 -1.3895 -1.3549 0.2887 0.2903 0.4157 0.4527 6.1145 6.1159 6.7097 6.7103 6.8285 6.8300 7.4219 7.4652 7.8264 7.8806 8.0313 8.0377 9.8805 9.8808 10.0751 10.0850 10.1969 10.2010 14.4369 14.4447 14.4771 14.4794 14.5974 14.5980 16.9584 16.9894 k = 0.3651 0.3661 0.5039 ( 2758 PWs) bands (ev): -46.0286 -46.0286 -22.7775 -22.7765 -22.1405 -22.1387 -22.1123 -22.1118 -14.2142 -14.2141 -5.8999 -5.8957 -5.7257 -5.7202 -5.6034 -5.5992 -1.3687 -1.3325 0.3097 0.3122 0.4518 0.4900 6.1328 6.1343 6.7274 6.7278 6.8629 6.8642 7.3918 7.4344 7.8143 7.8703 8.0277 8.0333 9.8429 9.8434 10.0492 10.0596 10.1795 10.1831 14.4021 14.4107 14.4581 14.4603 14.5796 14.5801 16.9658 16.9945 k = 0.3562 0.3571 0.5039 ( 2754 PWs) bands (ev): -46.0286 -46.0286 -22.7770 -22.7758 -22.1395 -22.1376 -22.1121 -22.1115 -14.2170 -14.2170 -5.9262 -5.9217 -5.7301 -5.7241 -5.6078 -5.6035 -1.3472 -1.3094 0.3317 0.3353 0.4892 0.5284 6.1505 6.1523 6.7473 6.7476 6.8986 6.8996 7.3598 7.4009 7.8052 7.8624 8.0246 8.0292 9.8044 9.8051 10.0230 10.0341 10.1606 10.1639 14.3651 14.3743 14.4385 14.4407 14.5613 14.5616 16.9679 16.9939 k = 0.3473 0.3482 0.5039 ( 2750 PWs) bands (ev): -46.0287 -46.0287 -22.7763 -22.7752 -22.1384 -22.1365 -22.1118 -22.1112 -14.2200 -14.2199 -5.9534 -5.9487 -5.7345 -5.7283 -5.6119 -5.6075 -1.3251 -1.2858 0.3549 0.3594 0.5276 0.5677 6.1675 6.1695 6.7696 6.7697 6.9352 6.9358 7.3266 7.3655 7.7991 7.8569 8.0222 8.0257 9.7652 9.7662 9.9967 10.0084 10.1403 10.1431 14.3259 14.3358 14.4183 14.4205 14.5424 14.5427 16.9632 16.9864 k = 0.3384 0.3393 0.5039 ( 2742 PWs) bands (ev): -46.0287 -46.0287 -22.7757 -22.7744 -22.1373 -22.1353 -22.1115 -22.1109 -14.2230 -14.2230 -5.9815 -5.9767 -5.7391 -5.7326 -5.6157 -5.6112 -1.3024 -1.2619 0.3790 0.3844 0.5667 0.6078 6.1837 6.1858 6.7940 6.7944 6.9724 6.9726 7.2929 7.3291 7.7957 7.8538 8.0206 8.0229 9.7257 9.7270 9.9703 9.9826 10.1185 10.1210 14.2846 14.2952 14.3978 14.3998 14.5232 14.5233 16.9505 16.9709 k = 0.3295 0.3304 0.5039 ( 2746 PWs) bands (ev): -46.0288 -46.0288 -22.7750 -22.7738 -22.1362 -22.1341 -22.1113 -22.1106 -14.2263 -14.2262 -6.0103 -6.0053 -5.7439 -5.7371 -5.6191 -5.6146 -1.2794 -1.2377 0.4040 0.4103 0.6063 0.6482 6.1987 6.2011 6.8207 6.8215 7.0092 7.0097 7.2595 7.2925 7.7947 7.8530 8.0202 8.0210 9.6861 9.6877 9.9438 9.9568 10.0952 10.0973 14.2413 14.2525 14.3769 14.3788 14.5036 14.5036 16.9290 16.9467 k = 0.3206 0.3214 0.5039 ( 2746 PWs) bands (ev): -46.0288 -46.0288 -22.7743 -22.7731 -22.1350 -22.1329 -22.1110 -22.1104 -14.2296 -14.2296 -6.0398 -6.0347 -5.7487 -5.7417 -5.6221 -5.6175 -1.2561 -1.2134 0.4299 0.4370 0.6461 0.6887 6.2127 6.2152 6.8497 6.8509 7.0451 7.0465 7.2275 7.2568 7.7958 7.8543 8.0205 8.0212 9.6467 9.6487 9.9173 9.9309 10.0705 10.0720 14.1961 14.2080 14.3558 14.3576 14.4837 14.4838 16.8985 16.9139 k = 0.3117 0.3125 0.5039 ( 2750 PWs) bands (ev): -46.0289 -46.0289 -22.7737 -22.7723 -22.1338 -22.1316 -22.1107 -22.1101 -14.2330 -14.2330 -6.0698 -6.0646 -5.7536 -5.7464 -5.6246 -5.6200 -1.2327 -1.1890 0.4566 0.4645 0.6859 0.7291 6.2256 6.2282 6.8807 6.8824 7.0781 7.0818 7.1994 7.2236 7.7987 7.8574 8.0217 8.0239 9.6078 9.6103 9.8908 9.9051 10.0442 10.0452 14.1490 14.1616 14.3346 14.3364 14.4636 14.4638 16.8594 16.8728 k = 0.3028 0.3036 0.5039 ( 2750 PWs) bands (ev): -46.0289 -46.0289 -22.7729 -22.7716 -22.1326 -22.1303 -22.1105 -22.1098 -14.2365 -14.2365 -6.1002 -6.0949 -5.7586 -5.7512 -5.6265 -5.6220 -1.2092 -1.1647 0.4840 0.4927 0.7252 0.7690 6.2374 6.2400 6.9136 6.9158 7.1021 7.1119 7.1815 7.1968 7.8031 7.8620 8.0250 8.0288 9.5699 9.5729 9.8643 9.8791 10.0164 10.0168 14.1002 14.1135 14.3134 14.3151 14.4435 14.4438 16.8123 16.8241 k = 0.2939 0.2946 0.5039 ( 2746 PWs) bands (ev): -46.0290 -46.0290 -22.7722 -22.7708 -22.1313 -22.1290 -22.1101 -22.1094 -14.2401 -14.2401 -6.1309 -6.1255 -5.7637 -5.7561 -5.6279 -5.6234 -1.1857 -1.1406 0.5119 0.5214 0.7640 0.8081 6.2482 6.2508 6.9480 6.9506 7.1037 7.1233 7.1878 7.1903 7.8086 7.8675 8.0310 8.0363 9.5331 9.5367 9.8378 9.8530 9.9869 9.9871 14.0498 14.0638 14.2924 14.2940 14.4235 14.4238 16.7582 16.7688 k = 0.2850 0.2857 0.5039 ( 2746 PWs) bands (ev): -46.0290 -46.0290 -22.7714 -22.7701 -22.1300 -22.1277 -22.1098 -22.1091 -14.2438 -14.2437 -6.1619 -6.1564 -5.7688 -5.7611 -5.6288 -5.6242 -1.1623 -1.1168 0.5404 0.5507 0.8018 0.8463 6.2580 6.2606 6.9836 6.9864 7.0884 7.1091 7.2114 7.2131 7.8146 7.8735 8.0402 8.0468 9.4979 9.5021 9.8112 9.8268 9.9554 9.9563 13.9979 14.0126 14.2716 14.2731 14.4036 14.4040 16.6980 16.7078 k = 0.2761 0.2768 0.5039 ( 2742 PWs) bands (ev): -46.0291 -46.0291 -22.7707 -22.7693 -22.1286 -22.1263 -22.1095 -22.1088 -14.2475 -14.2475 -6.1929 -6.1874 -5.7739 -5.7662 -5.6290 -5.6245 -1.1392 -1.0932 0.5693 0.5803 0.8386 0.8831 6.2670 6.2696 7.0194 7.0213 7.0719 7.0892 7.2414 7.2437 7.8210 7.8795 8.0532 8.0606 9.4646 9.4695 9.7845 9.8002 9.9223 9.9241 13.9447 13.9600 14.2512 14.2526 14.3838 14.3843 16.6326 16.6419 k = 0.2672 0.2679 0.5039 ( 2746 PWs) bands (ev): -46.0291 -46.0291 -22.7699 -22.7685 -22.1273 -22.1250 -22.1092 -22.1085 -14.2512 -14.2512 -6.2239 -6.2185 -5.7791 -5.7713 -5.6286 -5.6241 -1.1164 -1.0702 0.5985 0.6103 0.8739 0.9184 6.2752 6.2778 7.0405 7.0495 7.0733 7.0767 7.2726 7.2750 7.8273 7.8850 8.0701 8.0779 9.4336 9.4393 9.7577 9.7733 9.8876 9.8906 13.8903 13.9063 14.2313 14.2326 14.3644 14.3649 16.5630 16.5719 k = 0.2582 0.2589 0.5039 ( 2754 PWs) bands (ev): -46.0292 -46.0292 -22.7692 -22.7678 -22.1260 -22.1237 -22.1089 -22.1082 -14.2550 -14.2550 -6.2549 -6.2494 -5.7843 -5.7764 -5.6276 -5.6231 -1.0939 -1.0476 0.6280 0.6405 0.9076 0.9519 6.2828 6.2854 7.0326 7.0471 7.1003 7.1051 7.3034 7.3060 7.8333 7.8900 8.0910 8.0986 9.4052 9.4117 9.7306 9.7458 9.8515 9.8559 13.8349 13.8515 14.2119 14.2131 14.3453 14.3459 16.4899 16.4987 k = 0.2493 0.2500 0.5039 ( 2746 PWs) bands (ev): -46.0292 -46.0292 -22.7683 -22.7670 -22.1246 -22.1223 -22.1086 -22.1078 -14.2588 -14.2588 -6.2857 -6.2802 -5.7894 -5.7815 -5.6259 -5.6215 -1.0720 -1.0257 0.6576 0.6708 0.9396 0.9834 6.2900 6.2926 7.0239 7.0367 7.1357 7.1413 7.3335 7.3363 7.8390 7.8945 8.1156 8.1227 9.3798 9.3873 9.7032 9.7177 9.8139 9.8201 13.7786 13.7960 14.1931 14.1942 14.3267 14.3273 16.4140 16.4227 k = 0.2404 0.2411 0.5039 ( 2746 PWs) bands (ev): -46.0293 -46.0293 -22.7676 -22.7662 -22.1232 -22.1209 -22.1082 -22.1075 -14.2627 -14.2626 -6.3162 -6.3108 -5.7945 -5.7867 -5.6236 -5.6193 -1.0506 -1.0044 0.6872 0.7012 0.9696 1.0129 6.2968 6.2993 7.0190 7.0300 7.1713 7.1772 7.3629 7.3658 7.8444 7.8986 8.1435 8.1497 9.3578 9.3663 9.6754 9.6886 9.7749 9.7834 13.7218 13.7398 14.1751 14.1761 14.3086 14.3092 16.3359 16.3445 k = 0.2315 0.2321 0.5039 ( 2746 PWs) bands (ev): -46.0293 -46.0293 -22.7668 -22.7654 -22.1219 -22.1196 -22.1079 -22.1072 -14.2665 -14.2665 -6.3464 -6.3410 -5.7995 -5.7918 -5.6207 -5.6165 -1.0298 -0.9839 0.7167 0.7315 0.9975 1.0400 6.3032 6.3057 7.0188 7.0280 7.2057 7.2117 7.3917 7.3948 7.8496 7.9025 8.1742 8.1793 9.3394 9.3491 9.6471 9.6583 9.7346 9.7462 13.6646 13.6832 14.1579 14.1588 14.2910 14.2917 16.2560 16.2647 k = 0.2226 0.2232 0.5039 ( 2750 PWs) bands (ev): -46.0294 -46.0294 -22.7660 -22.7647 -22.1205 -22.1182 -22.1076 -22.1069 -14.2703 -14.2703 -6.3761 -6.3708 -5.8045 -5.7968 -5.6173 -5.6131 -1.0097 -0.9642 0.7460 0.7617 1.0233 1.0648 6.3095 6.3119 7.0236 7.0311 7.2383 7.2444 7.4199 7.4233 7.8548 7.9065 8.2070 8.2109 9.3249 9.3359 9.6182 9.6263 9.6931 9.7088 13.6073 13.6264 14.1415 14.1423 14.2741 14.2748 16.1748 16.1836 k = 0.2137 0.2143 0.5039 ( 2750 PWs) bands (ev): -46.0294 -46.0294 -22.7653 -22.7639 -22.1192 -22.1169 -22.1073 -22.1066 -14.2740 -14.2740 -6.4052 -6.4000 -5.8095 -5.8019 -5.6133 -5.6091 -0.9904 -0.9454 0.7751 0.7916 1.0469 1.0871 6.3157 6.3180 7.0335 7.0397 7.2688 7.2748 7.4477 7.4512 7.8601 7.9108 8.2417 8.2441 9.3146 9.3269 9.5885 9.5924 9.6507 9.6715 13.5501 13.5698 14.1260 14.1267 14.2579 14.2586 16.0927 16.1017 k = 0.2048 0.2054 0.5039 ( 2750 PWs) bands (ev): -46.0295 -46.0295 -22.7645 -22.7632 -22.1178 -22.1156 -22.1070 -22.1063 -14.2778 -14.2778 -6.4338 -6.4287 -5.8143 -5.8068 -5.6087 -5.6047 -0.9718 -0.9275 0.8037 0.8212 1.0683 1.1071 6.3217 6.3241 7.0487 7.0536 7.2968 7.3027 7.4749 7.4785 7.8657 7.9155 8.2777 8.2786 9.3085 9.3222 9.5561 9.5579 9.6075 9.6349 13.4933 13.5135 14.1114 14.1120 14.2425 14.2432 16.0100 16.0192 k = 0.1959 0.1964 0.5039 ( 2754 PWs) bands (ev): -46.0295 -46.0295 -22.7638 -22.7625 -22.1165 -22.1144 -22.1066 -22.1060 -14.2815 -14.2815 -6.4617 -6.4568 -5.8190 -5.8117 -5.6037 -5.5998 -0.9542 -0.9106 0.8317 0.8502 1.0876 1.1245 6.3278 6.3301 7.0691 7.0730 7.3223 7.3280 7.5013 7.5049 7.8718 7.9208 8.3141 8.3149 9.3065 9.3218 9.5174 9.5256 9.5641 9.5989 13.4372 13.4579 14.0978 14.0983 14.2278 14.2286 15.9272 15.9364 k = 0.1870 0.1875 0.5039 ( 2746 PWs) bands (ev): -46.0296 -46.0296 -22.7630 -22.7618 -22.1151 -22.1130 -22.1063 -22.1056 -14.2851 -14.2851 -6.4889 -6.4840 -5.8236 -5.8164 -5.5982 -5.5944 -0.9374 -0.8947 0.8592 0.8788 1.1047 1.1397 6.3339 6.3361 7.0947 7.0978 7.3455 7.3511 7.5265 7.5299 7.8784 7.9269 8.3506 8.3532 9.3086 9.3253 9.4763 9.4909 9.5216 9.5637 13.3821 13.4032 14.0852 14.0856 14.2140 14.2148 15.8444 15.8538 k = 0.1781 0.1786 0.5039 ( 2746 PWs) bands (ev): -46.0296 -46.0296 -22.7623 -22.7611 -22.1138 -22.1118 -22.1060 -22.1054 -14.2886 -14.2886 -6.5152 -6.5105 -5.8281 -5.8211 -5.5923 -5.5886 -0.9215 -0.8799 0.8858 0.9066 1.1199 1.1525 6.3400 6.3421 7.1253 7.1277 7.3665 7.3719 7.5499 7.5531 7.8858 7.9338 8.3880 8.3924 9.3143 9.3325 9.4333 9.4522 9.4815 9.5288 13.3284 13.3498 14.0735 14.0738 14.2011 14.2020 15.7620 15.7714 k = 0.1692 0.1696 0.5039 ( 2750 PWs) bands (ev): -46.0297 -46.0297 -22.7616 -22.7604 -22.1126 -22.1107 -22.1057 -22.1051 -14.2921 -14.2921 -6.5407 -6.5361 -5.8324 -5.8256 -5.5861 -5.5826 -0.9067 -0.8662 0.9115 0.9336 1.1333 1.1632 6.3461 6.3482 7.1608 7.1628 7.3856 7.3909 7.5713 7.5740 7.8940 7.9417 8.4265 8.4328 9.3232 9.3422 9.3893 9.4094 9.4440 9.4941 13.2763 13.2980 14.0628 14.0629 14.1891 14.1900 15.6802 15.6898 k = 0.1603 0.1607 0.5039 ( 2746 PWs) bands (ev): -46.0297 -46.0297 -22.7609 -22.7598 -22.1114 -22.1095 -22.1054 -22.1048 -14.2955 -14.2954 -6.5652 -6.5608 -5.8365 -5.8300 -5.5796 -5.5762 -0.8928 -0.8536 0.9362 0.9597 1.1451 1.1720 6.3524 6.3544 7.2008 7.2025 7.4031 7.4084 7.5901 7.5923 7.9030 7.9506 8.4661 8.4743 9.3343 9.3375 9.3609 9.3642 9.4079 9.4592 13.2262 13.2481 14.0530 14.0530 14.1780 14.1790 15.5994 15.6090 k = 0.1514 0.1518 0.5039 ( 2750 PWs) bands (ev): -46.0298 -46.0298 -22.7603 -22.7592 -22.1102 -22.1084 -22.1051 -22.1045 -14.2987 -14.2987 -6.5887 -6.5845 -5.8405 -5.8343 -5.5729 -5.5697 -0.8798 -0.8421 0.9596 0.9848 1.1555 1.1790 6.3586 6.3606 7.2451 7.2468 7.4192 7.4244 7.6062 7.6077 7.9131 7.9605 8.5070 8.5172 9.2933 9.3164 9.3475 9.3727 9.3730 9.4240 13.1785 13.2005 14.0440 14.0442 14.1679 14.1689 15.5198 15.5294 k = 0.1425 0.1429 0.5039 ( 2752 PWs) bands (ev): -46.0298 -46.0298 -22.7596 -22.7586 -22.1091 -22.1074 -22.1047 -22.1043 -14.3018 -14.3018 -6.6111 -6.6071 -5.8443 -5.8384 -5.5661 -5.5630 -0.8679 -0.8316 0.9817 1.0086 1.1647 1.1846 6.3649 6.3668 7.2933 7.2951 7.4341 7.4393 7.6194 7.6202 7.9242 7.9716 8.5493 8.5613 9.2460 9.2693 9.3322 9.3658 9.3818 9.3946 13.1333 13.1553 14.0359 14.0362 14.1587 14.1598 15.4418 15.4513 k = 0.1336 0.1339 0.5039 ( 2752 PWs) bands (ev): -46.0299 -46.0299 -22.7590 -22.7580 -22.1080 -22.1065 -22.1044 -22.1040 -14.3048 -14.3048 -6.6325 -6.6286 -5.8480 -5.8423 -5.5592 -5.5562 -0.8569 -0.8223 1.0022 1.0311 1.1730 1.1888 6.3711 6.3730 7.3450 7.3472 7.4481 7.4533 7.6298 7.6299 7.9363 7.9837 8.5930 8.6068 9.1980 9.2217 9.2952 9.3492 9.3800 9.4066 13.0911 13.1130 14.0286 14.0291 14.1504 14.1517 15.3655 15.3749 k = 0.1247 0.1250 0.5039 ( 2758 PWs) bands (ev): -46.0299 -46.0299 -22.7585 -22.7575 -22.1070 -22.1057 -22.1040 -22.1038 -14.3077 -14.3077 -6.6526 -6.6490 -5.8514 -5.8460 -5.5522 -5.5494 -0.8469 -0.8141 1.0211 1.0521 1.1807 1.1922 6.3774 6.3791 7.3995 7.4023 7.4614 7.4667 7.6367 7.6374 7.9495 7.9970 8.6380 8.6535 9.1498 9.1744 9.2563 9.3116 9.3947 9.4223 13.0520 13.0736 14.0221 14.0227 14.1431 14.1444 15.2914 15.3007 k = 0.1158 0.1161 0.5039 ( 2758 PWs) bands (ev): -46.0299 -46.0299 -22.7579 -22.7570 -22.1061 -22.1050 -22.1035 -22.1035 -14.3104 -14.3104 -6.6716 -6.6682 -5.8546 -5.8495 -5.5454 -5.5427 -0.8378 -0.8069 1.0381 1.0712 1.1880 1.1950 6.3835 6.3852 7.4551 7.4577 7.4764 7.4809 7.6411 7.6425 7.9638 8.0114 8.6842 8.7014 9.1018 9.1275 9.2160 9.2727 9.4085 9.4370 13.0164 13.0376 14.0164 14.0171 14.1367 14.1381 15.2198 15.2288 k = 0.1069 0.1071 0.5039 ( 2760 PWs) bands (ev): -46.0300 -46.0300 -22.7574 -22.7566 -22.1052 -22.1045 -22.1032 -22.1030 -14.3129 -14.3129 -6.6893 -6.6862 -5.8576 -5.8528 -5.5387 -5.5362 -0.8296 -0.8006 1.0532 1.0882 1.1951 1.1976 6.3895 6.3911 7.4824 7.4872 7.5199 7.5239 7.6434 7.6453 7.9791 8.0268 8.7315 8.7501 9.0541 9.0815 9.1745 9.2328 9.4204 9.4499 12.9843 13.0049 14.0113 14.0122 14.1311 14.1326 15.1509 15.1597 k = 0.0980 0.0982 0.5039 ( 2756 PWs) bands (ev): -46.0300 -46.0300 -22.7569 -22.7561 -22.1045 -22.1041 -22.1029 -22.1023 -14.3153 -14.3153 -6.7057 -6.7028 -5.8603 -5.8559 -5.5321 -5.5298 -0.8223 -0.7953 1.0663 1.1028 1.2006 1.2022 6.3953 6.3968 7.4940 7.4995 7.5792 7.5857 7.6442 7.6462 7.9953 8.0432 8.7795 8.7994 9.0071 9.0366 9.1318 9.1919 9.4301 9.4602 12.9558 12.9757 14.0070 14.0079 14.1264 14.1280 15.0853 15.0938 k = 0.0891 0.0893 0.5039 ( 2756 PWs) bands (ev): -46.0300 -46.0300 -22.7564 -22.7557 -22.1039 -22.1038 -22.1024 -22.1017 -14.3175 -14.3175 -6.7208 -6.7182 -5.8629 -5.8588 -5.5259 -5.5238 -0.8157 -0.7909 1.0775 1.1145 1.2043 1.2093 6.4008 6.4022 7.5044 7.5103 7.6328 7.6446 7.6502 7.6511 8.0124 8.0604 8.8278 8.8490 8.9611 8.9932 9.0879 9.1502 9.4367 9.4675 12.9311 12.9501 14.0032 14.0042 14.1225 14.1241 15.0233 15.0313 k = 0.0801 0.0804 0.5039 ( 2752 PWs) bands (ev): -46.0301 -46.0301 -22.7560 -22.7554 -22.1036 -22.1035 -22.1019 -22.1011 -14.3195 -14.3195 -6.7346 -6.7322 -5.8651 -5.8615 -5.5200 -5.5181 -0.8099 -0.7873 1.0868 1.1233 1.2092 1.2165 6.4060 6.4073 7.5141 7.5203 7.6374 7.6431 7.7064 7.7141 8.0301 8.0782 8.8756 8.8984 8.9170 8.9518 9.0432 9.1077 9.4401 9.4713 12.9100 12.9278 13.9999 14.0010 14.1193 14.1209 14.9652 14.9728 k = 0.0712 0.0714 0.5039 ( 2756 PWs) bands (ev): -46.0301 -46.0301 -22.7556 -22.7551 -22.1034 -22.1032 -22.1014 -22.1006 -14.3213 -14.3213 -6.7470 -6.7448 -5.8672 -5.8639 -5.5145 -5.5128 -0.8047 -0.7845 1.0944 1.1291 1.2151 1.2236 6.4109 6.4121 7.5233 7.5297 7.6341 7.6399 7.7681 7.7786 8.0481 8.0963 8.8718 8.9126 8.9259 8.9461 8.9991 9.0648 9.4398 9.4712 12.8924 12.9090 13.9972 13.9983 14.1168 14.1183 14.9116 14.9186 k = 0.0623 0.0625 0.5039 ( 2754 PWs) bands (ev): -46.0301 -46.0301 -22.7553 -22.7548 -22.1032 -22.1030 -22.1008 -22.1001 -14.3229 -14.3229 -6.7579 -6.7560 -5.8690 -5.8661 -5.5095 -5.5080 -0.8002 -0.7824 1.1007 1.1324 1.2217 1.2303 6.4154 6.4164 7.5320 7.5387 7.6297 7.6359 7.8290 7.8424 8.0663 8.1143 8.8312 8.8767 8.9471 8.9730 9.0003 9.0220 9.4357 9.4672 12.8782 12.8932 13.9949 13.9960 14.1148 14.1162 14.8629 14.8693 k = 0.0534 0.0536 0.5039 ( 2762 PWs) bands (ev): -46.0301 -46.0301 -22.7550 -22.7546 -22.1031 -22.1029 -22.1004 -22.0997 -14.3243 -14.3243 -6.7675 -6.7658 -5.8705 -5.8680 -5.5050 -5.5037 -0.7963 -0.7809 1.1058 1.1338 1.2286 1.2366 6.4194 6.4203 7.5403 7.5472 7.6247 7.6311 7.8879 7.9045 8.0839 8.1317 8.7929 8.8445 8.9023 8.9784 9.0205 9.0459 9.4278 9.4591 12.8670 12.8803 13.9930 13.9941 14.1133 14.1146 14.8196 14.8253 k = 0.0445 0.0446 0.5039 ( 2766 PWs) bands (ev): -46.0301 -46.0301 -22.7548 -22.7544 -22.1030 -22.1028 -22.0999 -22.0994 -14.3255 -14.3255 -6.7755 -6.7742 -5.8718 -5.8697 -5.5011 -5.5000 -0.7928 -0.7799 1.1101 1.1337 1.2353 1.2422 6.4229 6.4236 7.5481 7.5552 7.6192 7.6259 7.9437 7.9638 8.1005 8.1477 8.7581 8.8170 8.8568 8.9372 9.0655 9.0913 9.4161 9.4469 12.8585 12.8700 13.9916 13.9925 14.1122 14.1133 14.7821 14.7869 k = 0.0356 0.0357 0.5039 ( 2762 PWs) bands (ev): -46.0301 -46.0301 -22.7545 -22.7542 -22.1028 -22.1027 -22.0995 -22.0991 -14.3265 -14.3265 -6.7821 -6.7810 -5.8728 -5.8711 -5.4978 -5.4970 -0.7898 -0.7795 1.1138 1.1328 1.2413 1.2469 6.4258 6.4264 7.5556 7.5628 7.6134 7.6204 7.9950 8.0189 8.1151 8.1613 8.7280 8.7951 8.8127 8.8976 9.1087 9.1344 9.4012 9.4310 12.8525 12.8618 13.9904 13.9912 14.1114 14.1124 14.7508 14.7548 k = 0.0267 0.0268 0.5039 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7543 -22.7541 -22.1027 -22.1026 -22.0992 -22.0988 -14.3273 -14.3273 -6.7873 -6.7864 -5.8735 -5.8722 -5.4952 -5.4946 -0.7873 -0.7795 1.1169 1.1313 1.2463 1.2506 6.4281 6.4286 7.5627 7.5698 7.6078 7.6147 8.0403 8.0681 8.1266 8.1712 8.7042 8.7717 8.7802 8.8612 9.1491 9.1741 9.3839 9.4119 12.8485 12.8557 13.9896 13.9902 14.1110 14.1117 14.7261 14.7292 k = 0.0178 0.0179 0.5039 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7542 -22.7540 -22.1027 -22.1026 -22.0989 -22.0987 -14.3279 -14.3279 -6.7909 -6.7903 -5.8740 -5.8731 -5.4933 -5.4929 -0.7851 -0.7799 1.1198 1.1294 1.2502 1.2531 6.4298 6.4301 7.5694 7.5759 7.6025 7.6090 8.0779 8.1094 8.1333 8.1760 8.6886 8.7360 8.7729 8.8292 9.1856 9.2078 9.3664 9.3907 12.8463 12.8511 13.9891 13.9895 14.1107 14.1112 14.7084 14.7105 k = 0.0089 0.0089 0.5039 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7541 -22.7540 -22.1026 -22.1026 -22.0987 -22.0986 -14.3282 -14.3282 -6.7930 -6.7927 -5.8742 -5.8737 -5.4921 -5.4919 -0.7833 -0.7806 1.1224 1.1272 1.2529 1.2544 6.4309 6.4311 7.5753 7.5800 7.5990 7.6036 8.1064 8.1330 8.1416 8.1738 8.6833 8.7078 8.7743 8.8032 9.2156 9.2304 9.3538 9.3697 12.8455 12.8480 13.9888 13.9890 14.1106 14.1109 14.6979 14.6989 k = 0.0000 0.0000 0.5039 ( 2762 PWs) bands (ev): -46.0302 -46.0302 -22.7540 -22.7540 -22.1026 -22.1026 -22.0987 -22.0987 -14.3283 -14.3283 -6.7936 -6.7936 -5.8741 -5.8741 -5.4916 -5.4916 -0.7818 -0.7818 1.1249 1.1249 1.2543 1.2543 6.4313 6.4313 7.5796 7.5796 7.5995 7.5995 8.1247 8.1247 8.1627 8.1627 8.6898 8.6898 8.7845 8.7845 9.2333 9.2333 9.3546 9.3546 12.8461 12.8461 13.9888 13.9888 14.1107 14.1107 14.6947 14.6947 k = 0.0000 0.0000 0.5039 ( 2762 PWs) bands (ev): -46.0302 -46.0302 -22.7540 -22.7540 -22.1026 -22.1026 -22.0987 -22.0987 -14.3283 -14.3283 -6.7936 -6.7936 -5.8741 -5.8741 -5.4916 -5.4916 -0.7818 -0.7818 1.1249 1.1249 1.2543 1.2543 6.4313 6.4313 7.5796 7.5796 7.5995 7.5995 8.1247 8.1247 8.1627 8.1627 8.6898 8.6898 8.7845 8.7845 9.2333 9.2333 9.3546 9.3546 12.8461 12.8461 13.9888 13.9888 14.1107 14.1107 14.6947 14.6947 k = 0.0000 0.0000 0.4913 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7540 -22.7540 -22.1026 -22.1025 -22.0987 -22.0986 -14.3285 -14.3285 -6.7931 -6.7930 -5.8741 -5.8741 -5.4925 -5.4922 -0.7824 -0.7817 1.1245 1.1246 1.2531 1.2545 6.4334 6.4340 7.5805 7.5806 7.6005 7.6006 8.1235 8.1282 8.1638 8.1641 8.6892 8.6913 8.7843 8.7850 9.2339 9.2352 9.3553 9.3557 12.8458 12.8460 13.9860 13.9868 14.1077 14.1088 14.6946 14.6954 k = 0.0000 0.0000 0.4787 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7540 -22.7538 -22.1024 -22.1023 -22.0987 -22.0986 -14.3291 -14.3291 -6.7916 -6.7913 -5.8743 -5.8743 -5.4950 -5.4943 -0.7837 -0.7823 1.1235 1.1236 1.2509 1.2536 6.4404 6.4414 7.5834 7.5835 7.6035 7.6038 8.1247 8.1340 8.1673 8.1677 8.6897 8.6939 8.7842 8.7857 9.2371 9.2398 9.3577 9.3584 12.8449 12.8455 13.9783 13.9799 14.0997 14.1019 14.6950 14.6967 k = 0.0000 0.0000 0.4661 ( 2750 PWs) bands (ev): -46.0302 -46.0302 -22.7539 -22.7537 -22.1021 -22.1020 -22.0987 -22.0986 -14.3301 -14.3300 -6.7889 -6.7884 -5.8746 -5.8746 -5.4988 -5.4979 -0.7856 -0.7835 1.1218 1.1220 1.2477 1.2517 6.4520 6.4537 7.5881 7.5883 7.6087 7.6091 8.1282 8.1417 8.1736 8.1737 8.6912 8.6974 8.7844 8.7866 9.2429 9.2470 9.3617 9.3628 12.8436 12.8444 13.9658 13.9682 14.0870 14.0901 14.6960 14.6984 k = 0.0000 0.0000 0.4535 ( 2750 PWs) bands (ev): -46.0302 -46.0302 -22.7537 -22.7535 -22.1018 -22.1016 -22.0987 -22.0986 -14.3314 -14.3314 -6.7851 -6.7845 -5.8750 -5.8749 -5.5042 -5.5029 -0.7880 -0.7853 1.1195 1.1197 1.2435 1.2488 6.4684 6.4706 7.5946 7.5948 7.6158 7.6165 8.1341 8.1511 8.1818 8.1827 8.6938 8.7020 8.7850 8.7878 9.2510 9.2568 9.3674 9.3690 12.8418 12.8429 13.9486 13.9518 14.0695 14.0736 14.6975 14.7006 k = 0.0000 0.0000 0.4409 ( 2750 PWs) bands (ev): -46.0302 -46.0302 -22.7536 -22.7532 -22.1013 -22.1011 -22.0988 -22.0985 -14.3331 -14.3331 -6.7804 -6.7796 -5.8754 -5.8754 -5.5109 -5.5094 -0.7911 -0.7877 1.1166 1.1167 1.2384 1.2449 6.4894 6.4921 7.6028 7.6031 7.6250 7.6259 8.1422 8.1618 8.1923 8.1949 8.6975 8.7077 8.7861 8.7894 9.2615 9.2689 9.3748 9.3768 12.8396 12.8410 13.9268 13.9308 14.0476 14.0525 14.6994 14.7030 k = 0.0000 0.0000 0.4283 ( 2760 PWs) bands (ev): -46.0302 -46.0302 -22.7534 -22.7530 -22.1008 -22.1006 -22.0988 -22.0985 -14.3352 -14.3351 -6.7746 -6.7737 -5.8760 -5.8760 -5.5190 -5.5171 -0.7947 -0.7907 1.1130 1.1132 1.2323 1.2401 6.5148 6.5181 7.6126 7.6131 7.6361 7.6374 8.1523 8.1737 8.2049 8.2103 8.7024 8.7144 8.7879 8.7916 9.2741 9.2835 9.3838 9.3862 12.8370 12.8386 13.9006 13.9053 14.0213 14.0269 14.7016 14.7057 k = 0.0000 0.0000 0.4157 ( 2770 PWs) bands (ev): -46.0303 -46.0303 -22.7532 -22.7527 -22.1002 -22.1002 -22.0988 -22.0983 -14.3376 -14.3375 -6.7679 -6.7668 -5.8767 -5.8767 -5.5283 -5.5261 -0.7988 -0.7942 1.1089 1.1091 1.2254 1.2343 6.5446 6.5484 7.6239 7.6246 7.6491 7.6508 8.1645 8.1867 8.2196 8.2285 8.7086 8.7222 8.7906 8.7945 9.2888 9.3003 9.3943 9.3974 12.8339 12.8359 13.8703 13.8756 13.9909 13.9971 14.7040 14.7085 k = 0.0000 0.0000 0.4031 ( 2766 PWs) bands (ev): -46.0303 -46.0303 -22.7529 -22.7523 -22.0998 -22.0996 -22.0987 -22.0979 -14.3403 -14.3403 -6.7603 -6.7591 -5.8775 -5.8775 -5.5387 -5.5363 -0.8035 -0.7983 1.1042 1.1044 1.2177 1.2276 6.5785 6.5830 7.6365 7.6376 7.6640 7.6661 8.1785 8.2009 8.2364 8.2493 8.7162 8.7312 8.7943 8.7984 9.3055 9.3193 9.4065 9.4101 12.8304 12.8327 13.8359 13.8418 13.9566 13.9634 14.7065 14.7114 k = 0.0000 0.0000 0.3905 ( 2766 PWs) bands (ev): -46.0303 -46.0303 -22.7525 -22.7519 -22.0996 -22.0993 -22.0982 -22.0972 -14.3434 -14.3433 -6.7518 -6.7505 -5.8784 -5.8783 -5.5502 -5.5475 -0.8086 -0.8030 1.0990 1.0993 1.2091 1.2200 6.6165 6.6216 7.6504 7.6520 7.6807 7.6831 8.1942 8.2164 8.2553 8.2723 8.7252 8.7413 8.7993 8.8035 9.3239 9.3403 9.4202 9.4245 12.8265 12.8292 13.7977 13.8042 13.9187 13.9259 14.7092 14.7143 k = 0.0000 0.0000 0.3779 ( 2758 PWs) bands (ev): -46.0303 -46.0303 -22.7521 -22.7515 -22.0995 -22.0992 -22.0973 -22.0963 -14.3467 -14.3466 -6.7427 -6.7412 -5.8793 -5.8793 -5.5626 -5.5597 -0.8142 -0.8081 1.0933 1.0936 1.1999 1.2117 6.6582 6.6639 7.6653 7.6675 7.6989 7.7017 8.2116 8.2332 8.2759 8.2972 8.7359 8.7525 8.8058 8.8101 9.3439 9.3632 9.4354 9.4404 12.8223 12.8253 13.7561 13.7631 13.8773 13.8849 14.7118 14.7171 k = 0.0000 0.0000 0.3653 ( 2758 PWs) bands (ev): -46.0304 -46.0304 -22.7517 -22.7510 -22.0995 -22.0992 -22.0963 -22.0952 -14.3503 -14.3502 -6.7328 -6.7312 -5.8803 -5.8803 -5.5759 -5.5727 -0.8202 -0.8137 1.0872 1.0875 1.1900 1.2025 6.7035 6.7099 7.6812 7.6841 7.7187 7.7218 8.2305 8.2514 8.2982 8.3235 8.7482 8.7647 8.8141 8.8184 9.3653 9.3878 9.4521 9.4580 12.8177 12.8211 13.7112 13.7186 13.8328 13.8406 14.7144 14.7198 k = 0.0000 0.0000 0.3527 ( 2765 PWs) bands (ev): -46.0304 -46.0304 -22.7513 -22.7505 -22.0995 -22.0993 -22.0952 -22.0941 -14.3542 -14.3540 -6.7224 -6.7207 -5.8814 -5.8814 -5.5898 -5.5864 -0.8267 -0.8198 1.0807 1.0810 1.1795 1.1927 6.7520 6.7592 7.6978 7.7016 7.7397 7.7432 8.2509 8.2708 8.3219 8.3508 8.7622 8.7779 8.8245 8.8288 9.3880 9.4138 9.4704 9.4771 12.8128 12.8166 13.6635 13.6713 13.7853 13.7933 14.7169 14.7223 k = 0.0000 0.0000 0.3401 ( 2765 PWs) bands (ev): -46.0304 -46.0304 -22.7508 -22.7500 -22.0995 -22.0994 -22.0940 -22.0929 -14.3582 -14.3581 -6.7115 -6.7096 -5.8826 -5.8826 -5.6043 -5.6007 -0.8335 -0.8262 1.0739 1.0742 1.1684 1.1823 6.8035 6.8115 7.7151 7.7199 7.7619 7.7657 8.2727 8.2916 8.3468 8.3787 8.7778 8.7919 8.8375 8.8417 9.4118 9.4410 9.4904 9.4978 12.8076 12.8118 13.6132 13.6213 13.7350 13.7432 14.7194 14.7247 k = 0.0000 0.0000 0.3275 ( 2761 PWs) bands (ev): -46.0305 -46.0305 -22.7503 -22.7495 -22.0996 -22.0994 -22.0927 -22.0916 -14.3625 -14.3623 -6.7002 -6.6982 -5.8838 -5.8838 -5.6192 -5.6154 -0.8406 -0.8331 1.0667 1.0670 1.1569 1.1713 6.8578 6.8666 7.7328 7.7388 7.7850 7.7890 8.2959 8.3136 8.3728 8.4068 8.7948 8.8066 8.8536 8.8574 9.4365 9.4690 9.5123 9.5200 12.8021 12.8067 13.5607 13.5690 13.6824 13.6907 14.7217 14.7270 k = 0.0000 0.0000 0.3149 ( 2761 PWs) bands (ev): -46.0305 -46.0305 -22.7498 -22.7489 -22.0996 -22.0995 -22.0914 -22.0903 -14.3669 -14.3667 -6.6886 -6.6865 -5.8851 -5.8850 -5.6343 -5.6304 -0.8480 -0.8402 1.0593 1.0596 1.1451 1.1598 6.9144 6.9242 7.7508 7.7580 7.8087 7.8130 8.3205 8.3369 8.3996 8.4349 8.8128 8.8219 8.8734 8.8760 9.4620 9.4971 9.5365 9.5438 12.7963 12.8015 13.5063 13.5148 13.6275 13.6359 14.7238 14.7291 k = 0.0000 0.0000 0.3023 ( 2765 PWs) bands (ev): -46.0306 -46.0306 -22.7493 -22.7484 -22.0997 -22.0996 -22.0900 -22.0889 -14.3714 -14.3713 -6.6769 -6.6747 -5.8864 -5.8864 -5.6496 -5.6455 -0.8556 -0.8477 1.0517 1.0520 1.1329 1.1479 6.9731 6.9839 7.7689 7.7775 7.8329 7.8373 8.3464 8.3614 8.4270 8.4627 8.8314 8.8379 8.8973 8.8976 9.4879 9.5247 9.5635 9.5692 12.7902 12.7960 13.4506 13.4591 13.5707 13.5791 14.7259 14.7310 k = 0.0000 0.0000 0.2897 ( 2769 PWs) bands (ev): -46.0306 -46.0306 -22.7487 -22.7478 -22.0998 -22.0997 -22.0886 -22.0875 -14.3761 -14.3759 -6.6651 -6.6629 -5.8877 -5.8877 -5.6648 -5.6606 -0.8634 -0.8554 1.0440 1.0442 1.1204 1.1357 7.0334 7.0454 7.7869 7.7970 7.8573 7.8618 8.3735 8.3872 8.4549 8.4900 8.8506 8.8546 8.9222 8.9255 9.5142 9.5514 9.5934 9.5961 12.7839 12.7903 13.3938 13.4023 13.5122 13.5207 14.7278 14.7327 k = 0.0000 0.0000 0.2771 ( 2773 PWs) bands (ev): -46.0306 -46.0306 -22.7482 -22.7473 -22.0999 -22.0998 -22.0871 -22.0860 -14.3808 -14.3807 -6.6534 -6.6511 -5.8891 -5.8891 -5.6799 -5.6756 -0.8714 -0.8633 1.0361 1.0363 1.1079 1.1232 7.0950 7.1083 7.8048 7.8164 7.8816 7.8863 8.4019 8.4140 8.4833 8.5167 8.8701 8.8723 8.9495 8.9578 9.5408 9.5773 9.6244 9.6259 12.7772 12.7844 13.3365 13.3448 13.4523 13.4608 14.7295 14.7343 k = 0.0000 0.0000 0.2645 ( 2777 PWs) bands (ev): -46.0307 -46.0307 -22.7477 -22.7467 -22.1000 -22.0999 -22.0857 -22.0845 -14.3856 -14.3855 -6.6419 -6.6395 -5.8905 -5.8904 -5.6946 -5.6902 -0.8795 -0.8714 1.0282 1.0284 1.0952 1.1105 7.1575 7.1722 7.8223 7.8356 7.9056 7.9103 8.4315 8.4420 8.5119 8.5431 8.8902 8.8908 8.9794 8.9939 9.5673 9.6027 9.6540 9.6603 12.7703 12.7783 13.2790 13.2870 13.3914 13.3999 14.7311 14.7358 k = 0.0000 0.0000 0.2519 ( 2773 PWs) bands (ev): -46.0307 -46.0307 -22.7471 -22.7461 -22.1001 -22.1000 -22.0842 -22.0830 -14.3904 -14.3903 -6.6307 -6.6282 -5.8919 -5.8918 -5.7089 -5.7044 -0.8876 -0.8796 1.0202 1.0205 1.0825 1.0978 7.2205 7.2368 7.8394 7.8545 7.9291 7.9338 8.4622 8.4711 8.5409 8.5691 8.9101 8.9108 9.0117 9.0331 9.5939 9.6280 9.6847 9.6960 12.7629 12.7720 13.2220 13.2295 13.3297 13.3382 14.7326 14.7371 k = 0.0000 0.0000 0.2393 ( 2769 PWs) bands (ev): -46.0308 -46.0308 -22.7465 -22.7455 -22.1001 -22.1001 -22.0826 -22.0815 -14.3952 -14.3951 -6.6198 -6.6173 -5.8933 -5.8932 -5.7226 -5.7181 -0.8958 -0.8878 1.0124 1.0126 1.0699 1.0850 7.2835 7.3015 7.8560 7.8729 7.9517 7.9564 8.4939 8.5012 8.5702 8.5949 8.9302 8.9320 9.0462 9.0752 9.6203 9.6531 9.7163 9.7325 12.7551 12.7655 13.1661 13.1728 13.2675 13.2761 14.7340 14.7382 k = 0.0000 0.0000 0.2267 ( 2769 PWs) bands (ev): -46.0308 -46.0308 -22.7459 -22.7450 -22.1002 -22.1002 -22.0811 -22.0800 -14.4000 -14.3998 -6.6095 -6.6069 -5.8946 -5.8946 -5.7355 -5.7311 -0.9039 -0.8960 1.0046 1.0047 1.0574 1.0722 7.3461 7.3661 7.8720 7.8908 7.9734 7.9780 8.5265 8.5322 8.5998 8.6208 8.9509 8.9535 9.0826 9.1194 9.6464 9.6783 9.7483 9.7693 12.7467 12.7586 13.1117 13.1175 13.2051 13.2139 14.7352 14.7393 k = 0.0000 0.0000 0.2141 ( 2769 PWs) bands (ev): -46.0309 -46.0309 -22.7453 -22.7444 -22.1003 -22.1002 -22.0796 -22.0785 -14.4046 -14.4045 -6.5997 -6.5971 -5.8960 -5.8959 -5.7477 -5.7433 -0.9119 -0.9042 0.9969 0.9971 1.0452 1.0596 7.4077 7.4300 7.8873 7.9083 7.9938 7.9984 8.5599 8.5641 8.6297 8.6468 8.9719 8.9753 9.1208 9.1654 9.6723 9.7033 9.7806 9.8061 12.7376 12.7514 13.0595 13.0640 13.1430 13.1519 14.7364 14.7402 k = 0.0000 0.0000 0.2015 ( 2765 PWs) bands (ev): -46.0309 -46.0309 -22.7448 -22.7439 -22.1004 -22.1003 -22.0781 -22.0770 -14.4092 -14.4091 -6.5906 -6.5880 -5.8973 -5.8973 -5.7590 -5.7547 -0.9198 -0.9123 0.9895 0.9896 1.0333 1.0472 7.4680 7.4926 7.9021 7.9252 8.0130 8.0175 8.5938 8.5966 8.6599 8.6729 8.9931 8.9971 9.1606 9.2126 9.6977 9.7282 9.8126 9.8422 12.7276 12.7436 13.0102 13.0132 13.0814 13.0906 14.7374 14.7410 k = 0.0000 0.0000 0.1889 ( 2769 PWs) bands (ev): -46.0309 -46.0309 -22.7442 -22.7434 -22.1005 -22.1004 -22.0767 -22.0756 -14.4137 -14.4135 -6.5822 -6.5797 -5.8986 -5.8986 -5.7694 -5.7651 -0.9275 -0.9202 0.9822 0.9823 1.0217 1.0351 7.5263 7.5536 7.9163 7.9419 8.0307 8.0351 8.6282 8.6297 8.6901 8.6993 9.0141 9.0188 9.2016 9.2608 9.7225 9.7528 9.8439 9.8773 12.7165 12.7352 12.9644 12.9657 13.0207 13.0306 14.7383 14.7418 k = 0.0000 0.0000 0.1764 ( 2769 PWs) bands (ev): -46.0310 -46.0310 -22.7437 -22.7429 -22.1005 -22.1005 -22.0753 -22.0743 -14.4180 -14.4178 -6.5746 -6.5721 -5.8999 -5.8998 -5.7787 -5.7746 -0.9349 -0.9280 0.9752 0.9753 1.0105 1.0234 7.5821 7.6123 7.9301 7.9583 8.0470 8.0513 8.6629 8.6631 8.7203 8.7258 9.0349 9.0401 9.2438 9.3096 9.7467 9.7770 9.8741 9.9107 12.7040 12.7257 12.9223 12.9224 12.9613 12.9726 14.7392 14.7424 k = 0.0000 0.0000 0.1638 ( 2769 PWs) bands (ev): -46.0310 -46.0310 -22.7432 -22.7424 -22.1006 -22.1005 -22.0739 -22.0730 -14.4221 -14.4220 -6.5678 -6.5654 -5.9011 -5.9010 -5.7871 -5.7831 -0.9421 -0.9355 0.9686 0.9686 0.9999 1.0121 7.6348 7.6680 7.9437 7.9746 8.0617 8.0660 8.6966 8.6974 8.7503 8.7524 9.0551 9.0607 9.2869 9.3586 9.7701 9.8007 9.9024 9.9418 12.6901 12.7150 12.8830 12.8837 12.9037 12.9188 14.7400 14.7429 k = 0.0000 0.0000 0.1512 ( 2769 PWs) bands (ev): -46.0310 -46.0310 -22.7427 -22.7420 -22.1007 -22.1006 -22.0726 -22.0717 -14.4260 -14.4259 -6.5618 -6.5594 -5.9022 -5.9022 -5.7944 -5.7907 -0.9489 -0.9426 0.9623 0.9623 0.9898 1.0013 7.6838 7.7201 7.9576 7.9910 8.0750 8.0793 8.7300 8.7317 8.7787 8.7797 9.0744 9.0805 9.3307 9.4078 9.7924 9.8237 9.9285 9.9700 12.6749 12.7028 12.8412 12.8465 12.8523 12.8748 14.7407 14.7434 k = 0.0000 0.0000 0.1386 ( 2761 PWs) bands (ev): -46.0311 -46.0311 -22.7422 -22.7415 -22.1007 -22.1007 -22.0713 -22.0705 -14.4297 -14.4296 -6.5565 -6.5543 -5.9033 -5.9033 -5.8007 -5.7972 -0.9553 -0.9495 0.9563 0.9563 0.9804 0.9910 7.7286 7.7675 7.9722 8.0079 8.0869 8.0912 8.7630 8.7654 8.8046 8.8083 9.0927 9.0992 9.3751 9.4567 9.8134 9.8459 9.9517 9.9948 12.6591 12.6891 12.7937 12.7944 12.8241 12.8443 14.7413 14.7438 k = 0.0000 0.0000 0.1260 ( 2753 PWs) bands (ev): -46.0311 -46.0311 -22.7418 -22.7411 -22.1007 -22.1007 -22.0701 -22.0693 -14.4332 -14.4331 -6.5520 -6.5499 -5.9043 -5.9043 -5.8061 -5.8029 -0.9613 -0.9559 0.9507 0.9508 0.9716 0.9814 7.7686 7.8092 7.9883 8.0252 8.0974 8.1017 8.7952 8.7981 8.8299 8.8357 9.1097 9.1164 9.4200 9.5054 9.8330 9.8671 9.9715 10.0154 12.6434 12.6744 12.7444 12.7454 12.8026 12.8222 14.7418 14.7441 k = 0.0000 0.0000 0.1134 ( 2749 PWs) bands (ev): -46.0311 -46.0311 -22.7413 -22.7407 -22.1008 -22.1007 -22.0690 -22.0683 -14.4364 -14.4363 -6.5482 -6.5463 -5.9053 -5.9052 -5.8107 -5.8076 -0.9669 -0.9619 0.9456 0.9457 0.9635 0.9725 7.8035 7.8443 8.0065 8.0431 8.1067 8.1111 8.8263 8.8296 8.8541 8.8617 9.1253 9.1322 9.4651 9.5536 9.8507 9.8872 9.9876 10.0314 12.6289 12.6592 12.6982 12.6992 12.7858 12.8051 14.7423 14.7444 k = 0.0000 0.0000 0.1008 ( 2749 PWs) bands (ev): -46.0312 -46.0312 -22.7410 -22.7404 -22.1008 -22.1008 -22.0680 -22.0674 -14.4393 -14.4392 -6.5450 -6.5433 -5.9061 -5.9061 -5.8144 -5.8116 -0.9719 -0.9675 0.9410 0.9411 0.9562 0.9642 7.8332 7.8723 8.0270 8.0612 8.1146 8.1193 8.8559 8.8593 8.8771 8.8860 9.1392 9.1462 9.5101 9.6013 9.8662 9.9059 9.9996 10.0423 12.6161 12.6408 12.6567 12.6601 12.7728 12.7914 14.7428 14.7446 k = 0.0000 0.0000 0.0882 ( 2749 PWs) bands (ev): -46.0312 -46.0312 -22.7406 -22.7402 -22.1009 -22.1008 -22.0671 -22.0665 -14.4419 -14.4418 -6.5424 -6.5409 -5.9069 -5.9068 -5.8173 -5.8149 -0.9764 -0.9725 0.9369 0.9370 0.9497 0.9568 7.8579 7.8933 8.0494 8.0792 8.1215 8.1266 8.8836 8.8868 8.8985 8.9082 9.1515 9.1583 9.5550 9.6482 9.8790 9.9232 10.0074 10.0477 12.6025 12.6093 12.6215 12.6412 12.7625 12.7801 14.7432 14.7448 k = 0.0000 0.0000 0.0756 ( 2759 PWs) bands (ev): -46.0312 -46.0312 -22.7404 -22.7400 -22.1009 -22.1009 -22.0664 -22.0659 -14.4442 -14.4441 -6.5404 -6.5391 -5.9075 -5.9075 -5.8197 -5.8176 -0.9804 -0.9770 0.9333 0.9334 0.9440 0.9501 7.8780 7.9084 8.0722 8.0962 8.1272 8.1331 8.9088 8.9115 8.9182 8.9282 9.1619 9.1684 9.5994 9.6941 9.8884 9.9389 10.0114 10.0475 12.5755 12.5764 12.6062 12.6314 12.7542 12.7706 14.7435 14.7449 k = 0.0000 0.0000 0.0630 ( 2761 PWs) bands (ev): -46.0312 -46.0312 -22.7402 -22.7398 -22.1010 -22.1010 -22.0657 -22.0653 -14.4461 -14.4460 -6.5388 -6.5377 -5.9081 -5.9081 -5.8214 -5.8197 -0.9837 -0.9808 0.9303 0.9304 0.9392 0.9443 7.8940 7.9191 8.0940 8.1113 8.1320 8.1392 8.9304 8.9328 8.9365 8.9462 9.1706 9.1766 9.6428 9.7389 9.8936 9.9528 10.0122 10.0416 12.5456 12.5472 12.6015 12.6249 12.7476 12.7625 14.7438 14.7448 k = 0.0000 0.0000 0.0504 ( 2773 PWs) bands (ev): -46.0313 -46.0313 -22.7400 -22.7397 -22.1010 -22.1010 -22.0652 -22.0649 -14.4477 -14.4477 -6.5375 -6.5366 -5.9086 -5.9086 -5.8227 -5.8213 -0.9864 -0.9841 0.9279 0.9279 0.9352 0.9394 7.9067 7.9263 8.1135 8.1232 8.1359 8.1452 8.9470 8.9498 8.9543 8.9621 9.1776 9.1828 9.6849 9.7823 9.8935 9.9650 10.0106 10.0301 12.5205 12.5220 12.6004 12.6206 12.7425 12.7554 14.7100 14.7130 k = 0.0000 0.0000 0.0378 ( 2771 PWs) bands (ev): -46.0313 -46.0313 -22.7398 -22.7396 -22.1010 -22.1010 -22.0647 -22.0645 -14.4490 -14.4489 -6.5366 -6.5359 -5.9090 -5.9089 -5.8236 -5.8225 -0.9885 -0.9867 0.9260 0.9260 0.9322 0.9354 7.9164 7.9308 8.1293 8.1314 8.1394 8.1512 8.9594 8.9623 8.9699 8.9756 9.1829 9.1872 9.7252 9.8238 9.8872 9.9753 10.0077 10.0133 12.5006 12.5019 12.6016 12.6176 12.7389 12.7492 14.6766 14.6789 k = 0.0000 0.0000 0.0252 ( 2771 PWs) bands (ev): -46.0313 -46.0313 -22.7396 -22.7395 -22.1011 -22.1011 -22.0644 -22.0642 -14.4499 -14.4499 -6.5359 -6.5355 -5.9092 -5.9092 -5.8241 -5.8234 -0.9899 -0.9887 0.9247 0.9247 0.9302 0.9324 7.9237 7.9331 8.1363 8.1381 8.1454 8.1561 8.9683 8.9707 8.9820 8.9857 9.1869 9.1899 9.7630 9.8622 9.8752 9.9836 9.9918 10.0043 12.4864 12.4872 12.6041 12.6153 12.7367 12.7441 14.6521 14.6537 k = 0.0000 0.0000 0.0126 ( 2777 PWs) bands (ev): -46.0313 -46.0313 -22.7396 -22.7395 -22.1011 -22.1011 -22.0642 -22.0641 -14.4504 -14.4504 -6.5355 -6.5353 -5.9094 -5.9094 -5.8244 -5.8240 -0.9906 -0.9900 0.9239 0.9239 0.9292 0.9303 7.9289 7.9335 8.1391 8.1401 8.1531 8.1586 8.9740 8.9753 8.9898 8.9917 9.1895 9.1911 9.7976 9.8537 9.9010 9.9650 9.9909 10.0006 12.4778 12.4783 12.6072 12.6130 12.7362 12.7401 14.6373 14.6381 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0313 -46.0313 -22.7395 -22.7395 -22.1011 -22.1011 -22.0641 -22.0641 -14.4506 -14.4506 -6.5353 -6.5353 -5.9094 -5.9094 -5.8243 -5.8243 -0.9907 -0.9907 0.9236 0.9236 0.9292 0.9292 7.9321 7.9321 8.1402 8.1402 8.1577 8.1577 8.9764 8.9764 8.9931 8.9931 9.1909 9.1909 9.8282 9.8282 9.9347 9.9347 9.9962 9.9962 12.4751 12.4751 12.6103 12.6103 12.7374 12.7374 14.6326 14.6326 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0313 -46.0313 -22.7395 -22.7395 -22.1011 -22.1011 -22.0641 -22.0641 -14.4506 -14.4506 -6.5353 -6.5353 -5.9094 -5.9094 -5.8243 -5.8243 -0.9907 -0.9907 0.9236 0.9236 0.9292 0.9292 7.9321 7.9321 8.1402 8.1402 8.1577 8.1577 8.9764 8.9764 8.9931 8.9931 9.1909 9.1909 9.8282 9.8282 9.9347 9.9347 9.9962 9.9962 12.4751 12.4751 12.6103 12.6103 12.7374 12.7374 14.6326 14.6326 k =-0.0089 0.0089-0.0000 ( 2779 PWs) bands (ev): -46.0313 -46.0313 -22.7396 -22.7396 -22.1011 -22.1011 -22.0641 -22.0641 -14.4504 -14.4504 -6.5353 -6.5353 -5.9094 -5.9094 -5.8243 -5.8243 -0.9903 -0.9903 0.9241 0.9241 0.9296 0.9296 7.9311 7.9311 8.1386 8.1386 8.1568 8.1568 8.9733 8.9733 8.9913 8.9913 9.1909 9.1909 9.8265 9.8265 9.9327 9.9327 9.9949 9.9949 12.4770 12.4770 12.6115 12.6115 12.7392 12.7392 14.6338 14.6338 k =-0.0179 0.0178-0.0000 ( 2775 PWs) bands (ev): -46.0313 -46.0313 -22.7396 -22.7396 -22.1012 -22.1012 -22.0641 -22.0641 -14.4499 -14.4499 -6.5352 -6.5352 -5.9093 -5.9093 -5.8243 -5.8243 -0.9892 -0.9892 0.9252 0.9252 0.9308 0.9308 7.9279 7.9279 8.1337 8.1337 8.1542 8.1542 8.9641 8.9641 8.9860 8.9860 9.1910 9.1910 9.8214 9.8214 9.9268 9.9268 9.9909 9.9909 12.4826 12.4826 12.6152 12.6152 12.7447 12.7447 14.6375 14.6375 k =-0.0268 0.0267 0.0000 ( 2771 PWs) bands (ev): -46.0313 -46.0313 -22.7397 -22.7397 -22.1014 -22.1014 -22.0642 -22.0642 -14.4490 -14.4490 -6.5351 -6.5351 -5.9091 -5.9091 -5.8243 -5.8243 -0.9875 -0.9875 0.9266 0.9266 0.9334 0.9334 7.9226 7.9226 8.1252 8.1252 8.1503 8.1503 8.9488 8.9488 8.9774 8.9774 9.1912 9.1912 9.8126 9.8126 9.9171 9.9171 9.9845 9.9845 12.4919 12.4919 12.6214 12.6214 12.7538 12.7538 14.6436 14.6436 k =-0.0357 0.0356-0.0000 ( 2773 PWs) bands (ev): -46.0313 -46.0313 -22.7399 -22.7399 -22.1017 -22.1017 -22.0642 -22.0642 -14.4478 -14.4478 -6.5350 -6.5350 -5.9089 -5.9089 -5.8243 -5.8243 -0.9851 -0.9851 0.9279 0.9279 0.9376 0.9376 7.9148 7.9148 8.1132 8.1132 8.1452 8.1452 8.9275 8.9275 8.9657 8.9657 9.1914 9.1914 9.7998 9.7998 9.9041 9.9041 9.9759 9.9759 12.5049 12.5049 12.6299 12.6299 12.7665 12.7665 14.6520 14.6520 k =-0.0446 0.0445-0.0000 ( 2765 PWs) bands (ev): -46.0312 -46.0312 -22.7401 -22.7401 -22.1020 -22.1020 -22.0643 -22.0643 -14.4462 -14.4462 -6.5348 -6.5348 -5.9086 -5.9086 -5.8242 -5.8242 -0.9821 -0.9821 0.9292 0.9292 0.9433 0.9433 7.9045 7.9045 8.0980 8.0980 8.1390 8.1390 8.9006 8.9006 8.9509 8.9509 9.1919 9.1919 9.7824 9.7824 9.8885 9.8885 9.9653 9.9653 12.5213 12.5213 12.6409 12.6409 12.7824 12.7824 14.6627 14.6627 k =-0.0536 0.0534-0.0000 ( 2769 PWs) bands (ev): -46.0312 -46.0312 -22.7403 -22.7403 -22.1025 -22.1025 -22.0644 -22.0644 -14.4444 -14.4444 -6.5345 -6.5345 -5.9083 -5.9083 -5.8241 -5.8241 -0.9784 -0.9784 0.9306 0.9306 0.9503 0.9503 7.8911 7.8911 8.0800 8.0800 8.1318 8.1318 8.8686 8.8686 8.9333 8.9333 9.1925 9.1925 9.7600 9.7600 9.8709 9.8709 9.9530 9.9530 12.5410 12.5410 12.6542 12.6542 12.8016 12.8016 14.6755 14.6755 k =-0.0625 0.0623-0.0000 ( 2773 PWs) bands (ev): -46.0312 -46.0312 -22.7407 -22.7407 -22.1030 -22.1030 -22.0645 -22.0645 -14.4421 -14.4421 -6.5342 -6.5342 -5.9079 -5.9079 -5.8238 -5.8238 -0.9743 -0.9743 0.9322 0.9322 0.9585 0.9585 7.8743 7.8744 8.0597 8.0597 8.1235 8.1235 8.8319 8.8319 8.9129 8.9129 9.1934 9.1934 9.7321 9.7321 9.8520 9.8520 9.9393 9.9393 12.5640 12.5640 12.6698 12.6698 12.8238 12.8238 14.6902 14.6902 k =-0.0714 0.0712 0.0000 ( 2777 PWs) bands (ev): -46.0312 -46.0312 -22.7410 -22.7410 -22.1037 -22.1037 -22.0647 -22.0647 -14.4396 -14.4396 -6.5339 -6.5339 -5.9074 -5.9074 -5.8234 -5.8234 -0.9696 -0.9696 0.9339 0.9339 0.9677 0.9677 7.8538 7.8538 8.0377 8.0377 8.1141 8.1142 8.7910 8.7910 8.8899 8.8899 9.1946 9.1946 9.6988 9.6988 9.8324 9.8324 9.9243 9.9243 12.5899 12.5899 12.6875 12.6876 12.8488 12.8488 14.7067 14.7067 k =-0.0804 0.0801-0.0000 ( 2777 PWs) bands (ev): -46.0312 -46.0312 -22.7414 -22.7414 -22.1043 -22.1043 -22.0649 -22.0649 -14.4368 -14.4368 -6.5335 -6.5335 -5.9069 -5.9069 -5.8229 -5.8229 -0.9644 -0.9644 0.9358 0.9358 0.9779 0.9779 7.8291 7.8291 8.0145 8.0145 8.1038 8.1038 8.7464 8.7464 8.8645 8.8645 9.1962 9.1962 9.6603 9.6603 9.8122 9.8122 9.9083 9.9083 12.6185 12.6185 12.7075 12.7075 12.8763 12.8763 14.7248 14.7248 k =-0.0893 0.0891-0.0000 ( 2779 PWs) bands (ev): -46.0311 -46.0311 -22.7419 -22.7419 -22.1050 -22.1050 -22.0651 -22.0651 -14.4336 -14.4336 -6.5330 -6.5330 -5.9063 -5.9063 -5.8222 -5.8222 -0.9589 -0.9589 0.9379 0.9379 0.9889 0.9889 7.7999 7.7999 7.9905 7.9905 8.0926 8.0926 8.6985 8.6985 8.8368 8.8368 9.1983 9.1983 9.6173 9.6173 9.7915 9.7915 9.8915 9.8915 12.6498 12.6498 12.7296 12.7296 12.9062 12.9062 14.7444 14.7444 k =-0.0982 0.0980-0.0000 ( 2771 PWs) bands (ev): -46.0311 -46.0311 -22.7423 -22.7423 -22.1058 -22.1058 -22.0652 -22.0652 -14.4302 -14.4302 -6.5325 -6.5325 -5.9056 -5.9056 -5.8212 -5.8212 -0.9531 -0.9531 0.9402 0.9402 1.0006 1.0006 7.7664 7.7664 7.9659 7.9659 8.0806 8.0806 8.6476 8.6476 8.8071 8.8071 9.2009 9.2009 9.5704 9.5704 9.7702 9.7702 9.8743 9.8743 12.6833 12.6833 12.7536 12.7536 12.9383 12.9383 14.7652 14.7652 k =-0.1071 0.1069-0.0000 ( 2767 PWs) bands (ev): -46.0311 -46.0311 -22.7428 -22.7428 -22.1066 -22.1066 -22.0654 -22.0654 -14.4266 -14.4266 -6.5318 -6.5318 -5.9049 -5.9049 -5.8200 -5.8200 -0.9470 -0.9470 0.9427 0.9427 1.0129 1.0129 7.7286 7.7286 7.9406 7.9406 8.0678 8.0679 8.5943 8.5943 8.7756 8.7756 9.2041 9.2041 9.5205 9.5205 9.7483 9.7483 9.8567 9.8567 12.7189 12.7189 12.7796 12.7796 12.9722 12.9722 14.7871 14.7871 k =-0.1161 0.1158-0.0000 ( 2767 PWs) bands (ev): -46.0310 -46.0310 -22.7434 -22.7434 -22.1076 -22.1076 -22.0656 -22.0656 -14.4227 -14.4227 -6.5311 -6.5311 -5.9041 -5.9041 -5.8185 -5.8185 -0.9407 -0.9407 0.9453 0.9453 1.0256 1.0256 7.6871 7.6871 7.9145 7.9145 8.0546 8.0546 8.5386 8.5386 8.7425 8.7425 9.2079 9.2079 9.4682 9.4682 9.7256 9.7256 9.8392 9.8392 12.7564 12.7564 12.8075 12.8075 13.0079 13.0079 14.8099 14.8099 k =-0.1250 0.1247-0.0000 ( 2755 PWs) bands (ev): -46.0310 -46.0310 -22.7439 -22.7439 -22.1085 -22.1085 -22.0658 -22.0658 -14.4185 -14.4185 -6.5302 -6.5302 -5.9033 -5.9033 -5.8167 -5.8167 -0.9342 -0.9342 0.9481 0.9481 1.0386 1.0386 7.6423 7.6423 7.8872 7.8872 8.0409 8.0409 8.4810 8.4810 8.7079 8.7079 9.2124 9.2124 9.4143 9.4143 9.7021 9.7021 9.8219 9.8219 12.7954 12.7954 12.8372 12.8372 13.0451 13.0451 14.8334 14.8334 k =-0.1339 0.1336-0.0000 ( 2761 PWs) bands (ev): -46.0309 -46.0309 -22.7445 -22.7445 -22.1096 -22.1096 -22.0661 -22.0661 -14.4142 -14.4142 -6.5291 -6.5291 -5.9024 -5.9024 -5.8147 -5.8147 -0.9277 -0.9277 0.9510 0.9510 1.0516 1.0516 7.5947 7.5948 7.8586 7.8586 8.0268 8.0268 8.4216 8.4216 8.6721 8.6721 9.2176 9.2176 9.3595 9.3596 9.6777 9.6777 9.8052 9.8052 12.8356 12.8356 12.8687 12.8687 13.0837 13.0837 14.8576 14.8576 k =-0.1429 0.1425 0.0000 ( 2759 PWs) bands (ev): -46.0309 -46.0309 -22.7452 -22.7452 -22.1106 -22.1106 -22.0663 -22.0663 -14.4096 -14.4096 -6.5279 -6.5279 -5.9015 -5.9015 -5.8123 -5.8123 -0.9212 -0.9212 0.9540 0.9540 1.0646 1.0646 7.5450 7.5450 7.8285 7.8285 8.0125 8.0125 8.3604 8.3604 8.6352 8.6352 9.2235 9.2235 9.3048 9.3048 9.6525 9.6525 9.7894 9.7894 12.8767 12.8767 12.9022 12.9022 13.1234 13.1234 14.8821 14.8821 k =-0.1518 0.1514-0.0000 ( 2759 PWs) bands (ev): -46.0309 -46.0309 -22.7459 -22.7459 -22.1118 -22.1118 -22.0666 -22.0666 -14.4049 -14.4049 -6.5264 -6.5264 -5.9005 -5.9005 -5.8096 -5.8096 -0.9147 -0.9147 0.9572 0.9572 1.0774 1.0774 7.4937 7.4937 7.7966 7.7967 7.9978 7.9978 8.2978 8.2978 8.5975 8.5975 9.2296 9.2297 9.2510 9.2510 9.6263 9.6263 9.7747 9.7748 12.9179 12.9179 12.9378 12.9378 13.1642 13.1642 14.9069 14.9069 k =-0.1607 0.1603-0.0000 ( 2759 PWs) bands (ev): -46.0308 -46.0308 -22.7466 -22.7466 -22.1129 -22.1129 -22.0669 -22.0669 -14.4000 -14.4000 -6.5247 -6.5246 -5.8994 -5.8994 -5.8067 -5.8067 -0.9083 -0.9083 0.9605 0.9605 1.0898 1.0898 7.4411 7.4411 7.7631 7.7631 7.9829 7.9829 8.2338 8.2338 8.5590 8.5590 9.1970 9.1970 9.2381 9.2381 9.5992 9.5992 9.7615 9.7615 12.9585 12.9585 12.9763 12.9763 13.2060 13.2060 14.9319 14.9319 k =-0.1696 0.1692-0.0000 ( 2757 PWs) bands (ev): -46.0308 -46.0308 -22.7473 -22.7473 -22.1142 -22.1142 -22.0672 -22.0672 -14.3950 -14.3950 -6.5226 -6.5226 -5.8983 -5.8983 -5.8034 -5.8034 -0.9021 -0.9021 0.9638 0.9638 1.1017 1.1017 7.3878 7.3878 7.7278 7.7278 7.9674 7.9674 8.1687 8.1687 8.5201 8.5201 9.1462 9.1462 9.2460 9.2460 9.5711 9.5711 9.7499 9.7499 12.9979 12.9979 13.0176 13.0176 13.2485 13.2485 14.9568 14.9568 k =-0.1786 0.1781 0.0000 ( 2744 PWs) bands (ev): -46.0307 -46.0307 -22.7480 -22.7480 -22.1153 -22.1153 -22.0674 -22.0674 -14.3899 -14.3899 -6.5202 -6.5202 -5.8972 -5.8972 -5.7999 -5.7999 -0.8960 -0.8960 0.9672 0.9672 1.1130 1.1130 7.3341 7.3341 7.6909 7.6909 7.9511 7.9511 8.1030 8.1030 8.4808 8.4808 9.0978 9.0978 9.2546 9.2546 9.5422 9.5422 9.7400 9.7400 13.0369 13.0369 13.0610 13.0610 13.2917 13.2917 14.9817 14.9817 k =-0.1875 0.1870-0.0000 ( 2744 PWs) bands (ev): -46.0307 -46.0307 -22.7488 -22.7488 -22.1166 -22.1166 -22.0677 -22.0677 -14.3846 -14.3846 -6.5173 -6.5173 -5.8960 -5.8960 -5.7962 -5.7962 -0.8902 -0.8902 0.9705 0.9705 1.1235 1.1235 7.2803 7.2803 7.6524 7.6524 7.9325 7.9325 8.0382 8.0382 8.4413 8.4413 9.0525 9.0525 9.2638 9.2638 9.5124 9.5124 9.7321 9.7321 13.0760 13.0760 13.1054 13.1054 13.3355 13.3355 15.0064 15.0064 k =-0.1964 0.1959-0.0000 ( 2736 PWs) bands (ev): -46.0306 -46.0306 -22.7495 -22.7495 -22.1179 -22.1179 -22.0680 -22.0680 -14.3793 -14.3793 -6.5141 -6.5141 -5.8948 -5.8948 -5.7923 -5.7923 -0.8847 -0.8847 0.9739 0.9739 1.1331 1.1331 7.2267 7.2267 7.6125 7.6125 7.9067 7.9067 7.9791 7.9791 8.4017 8.4017 9.0108 9.0108 9.2735 9.2735 9.4819 9.4819 9.7263 9.7263 13.1155 13.1155 13.1503 13.1503 13.3798 13.3798 15.0307 15.0307 k =-0.2054 0.2048 0.0000 ( 2740 PWs) bands (ev): -46.0306 -46.0306 -22.7504 -22.7504 -22.1192 -22.1192 -22.0684 -22.0684 -14.3740 -14.3740 -6.5103 -6.5103 -5.8935 -5.8935 -5.7882 -5.7882 -0.8795 -0.8795 0.9772 0.9772 1.1417 1.1417 7.1736 7.1736 7.5714 7.5714 7.8621 7.8621 7.9377 7.9377 8.3622 8.3622 8.9732 8.9732 9.2835 9.2835 9.4507 9.4507 9.7225 9.7225 13.1555 13.1555 13.1953 13.1953 13.4245 13.4245 15.0546 15.0546 k =-0.2143 0.2137-0.0000 ( 2746 PWs) bands (ev): -46.0305 -46.0305 -22.7512 -22.7512 -22.1206 -22.1206 -22.0687 -22.0687 -14.3686 -14.3686 -6.5060 -6.5060 -5.8922 -5.8922 -5.7841 -5.7841 -0.8747 -0.8747 0.9804 0.9804 1.1493 1.1493 7.1211 7.1211 7.5291 7.5291 7.7993 7.7993 7.9134 7.9134 8.3228 8.3228 8.9399 8.9399 9.2936 9.2936 9.4191 9.4191 9.7209 9.7209 13.1960 13.1960 13.2403 13.2403 13.4694 13.4694 15.0780 15.0780 k =-0.2232 0.2226-0.0000 ( 2746 PWs) bands (ev): -46.0305 -46.0305 -22.7521 -22.7521 -22.1220 -22.1220 -22.0690 -22.0690 -14.3631 -14.3631 -6.5011 -6.5011 -5.8909 -5.8909 -5.7800 -5.7800 -0.8703 -0.8703 0.9834 0.9834 1.1558 1.1558 7.0695 7.0695 7.4860 7.4860 7.7295 7.7295 7.8953 7.8953 8.2837 8.2837 8.9114 8.9114 9.3035 9.3035 9.3875 9.3875 9.7214 9.7214 13.2368 13.2368 13.2850 13.2850 13.5146 13.5146 15.1008 15.1008 k =-0.2321 0.2315-0.0000 ( 2742 PWs) bands (ev): -46.0304 -46.0304 -22.7529 -22.7529 -22.1234 -22.1234 -22.0693 -22.0693 -14.3577 -14.3577 -6.4956 -6.4956 -5.8895 -5.8895 -5.7759 -5.7759 -0.8662 -0.8662 0.9862 0.9862 1.1613 1.1613 7.0188 7.0188 7.4422 7.4422 7.6570 7.6570 7.8791 7.8791 8.2451 8.2451 8.8877 8.8877 9.3119 9.3119 9.3572 9.3572 9.7240 9.7240 13.2778 13.2778 13.3294 13.3294 13.5598 13.5598 15.1230 15.1230 k =-0.2411 0.2404-0.0000 ( 2746 PWs) bands (ev): -46.0304 -46.0304 -22.7538 -22.7538 -22.1248 -22.1248 -22.0697 -22.0697 -14.3523 -14.3523 -6.4894 -6.4894 -5.8881 -5.8881 -5.7718 -5.7718 -0.8626 -0.8626 0.9888 0.9888 1.1657 1.1657 6.9692 6.9692 7.3979 7.3979 7.5833 7.5833 7.8639 7.8639 8.2069 8.2069 8.8691 8.8691 9.3085 9.3085 9.3384 9.3384 9.7288 9.7288 13.3190 13.3190 13.3732 13.3732 13.6051 13.6051 15.1445 15.1445 k =-0.2500 0.2493-0.0000 ( 2746 PWs) bands (ev): -46.0303 -46.0303 -22.7546 -22.7546 -22.1262 -22.1262 -22.0700 -22.0700 -14.3470 -14.3470 -6.4825 -6.4825 -5.8867 -5.8867 -5.7680 -5.7680 -0.8594 -0.8594 0.9909 0.9909 1.1691 1.1691 6.9207 6.9207 7.3532 7.3532 7.5090 7.5090 7.8491 7.8491 8.1693 8.1693 8.8557 8.8557 9.2822 9.2822 9.3424 9.3424 9.7355 9.7355 13.3603 13.3603 13.4163 13.4163 13.6502 13.6502 15.1652 15.1652 k =-0.2589 0.2582-0.0000 ( 2742 PWs) bands (ev): -46.0302 -46.0302 -22.7554 -22.7554 -22.1275 -22.1275 -22.0703 -22.0703 -14.3417 -14.3417 -6.4748 -6.4748 -5.8853 -5.8853 -5.7644 -5.7644 -0.8567 -0.8567 0.9926 0.9926 1.1716 1.1716 6.8734 6.8734 7.3084 7.3084 7.4346 7.4346 7.8347 7.8347 8.1325 8.1325 8.8473 8.8473 9.2505 9.2505 9.3516 9.3516 9.7443 9.7443 13.4014 13.4014 13.4587 13.4587 13.6952 13.6952 15.1851 15.1851 k =-0.2679 0.2672-0.0000 ( 2742 PWs) bands (ev): -46.0302 -46.0302 -22.7563 -22.7563 -22.1289 -22.1289 -22.0706 -22.0706 -14.3365 -14.3365 -6.4664 -6.4664 -5.8838 -5.8838 -5.7610 -5.7610 -0.8544 -0.8544 0.9938 0.9938 1.1733 1.1733 6.8273 6.8273 7.2635 7.2635 7.3604 7.3604 7.8205 7.8205 8.0963 8.0963 8.8441 8.8441 9.2179 9.2179 9.3616 9.3616 9.7548 9.7548 13.4424 13.4424 13.5002 13.5002 13.7398 13.7398 15.2042 15.2042 k =-0.2768 0.2761-0.0000 ( 2736 PWs) bands (ev): -46.0301 -46.0301 -22.7571 -22.7571 -22.1302 -22.1302 -22.0709 -22.0709 -14.3313 -14.3313 -6.4572 -6.4572 -5.8824 -5.8824 -5.7581 -5.7581 -0.8526 -0.8526 0.9943 0.9943 1.1743 1.1743 6.7825 6.7825 7.2187 7.2187 7.2870 7.2870 7.8066 7.8066 8.0610 8.0610 8.8457 8.8457 9.1853 9.1853 9.3717 9.3717 9.7671 9.7671 13.4830 13.4830 13.5408 13.5408 13.7840 13.7840 15.2223 15.2223 k =-0.2857 0.2850-0.0000 ( 2744 PWs) bands (ev): -46.0301 -46.0301 -22.7580 -22.7580 -22.1316 -22.1316 -22.0712 -22.0712 -14.3263 -14.3263 -6.4472 -6.4472 -5.8810 -5.8810 -5.7556 -5.7556 -0.8513 -0.8513 0.9941 0.9941 1.1748 1.1748 6.7390 6.7390 7.1736 7.1736 7.2151 7.2151 7.7928 7.7928 8.0267 8.0267 8.8522 8.8522 9.1529 9.1529 9.3817 9.3817 9.7808 9.7808 13.5232 13.5232 13.5803 13.5803 13.8277 13.8277 15.2395 15.2395 k =-0.2946 0.2939-0.0000 ( 2746 PWs) bands (ev): -46.0300 -46.0300 -22.7588 -22.7588 -22.1330 -22.1330 -22.0715 -22.0715 -14.3214 -14.3214 -6.4365 -6.4365 -5.8795 -5.8795 -5.7536 -5.7536 -0.8503 -0.8503 0.9931 0.9931 1.1751 1.1751 6.6968 6.6968 7.1257 7.1257 7.1477 7.1478 7.7794 7.7794 7.9933 7.9933 8.8633 8.8633 9.1209 9.1209 9.3915 9.3916 9.7959 9.7959 13.5628 13.5628 13.6187 13.6187 13.8708 13.8708 15.2558 15.2558 k =-0.3036 0.3028 0.0000 ( 2746 PWs) bands (ev): -46.0300 -46.0300 -22.7596 -22.7596 -22.1343 -22.1343 -22.0718 -22.0718 -14.3166 -14.3166 -6.4249 -6.4249 -5.8781 -5.8781 -5.7521 -5.7521 -0.8498 -0.8498 0.9911 0.9911 1.1751 1.1751 6.6558 6.6558 7.0654 7.0654 7.0949 7.0949 7.7661 7.7661 7.9609 7.9609 8.8787 8.8787 9.0894 9.0894 9.4012 9.4012 9.8123 9.8123 13.6018 13.6018 13.6559 13.6559 13.9131 13.9131 15.2711 15.2711 k =-0.3125 0.3117 0.0000 ( 2740 PWs) bands (ev): -46.0299 -46.0299 -22.7604 -22.7604 -22.1356 -22.1356 -22.0721 -22.0721 -14.3120 -14.3120 -6.4125 -6.4125 -5.8767 -5.8767 -5.7513 -5.7513 -0.8498 -0.8498 0.9883 0.9883 1.1752 1.1752 6.6161 6.6161 6.9986 6.9986 7.0511 7.0511 7.7532 7.7532 7.9297 7.9297 8.8981 8.8981 9.0586 9.0586 9.4106 9.4106 9.8296 9.8296 13.6399 13.6399 13.6918 13.6918 13.9545 13.9545 15.2855 15.2855 k =-0.3214 0.3206-0.0000 ( 2744 PWs) bands (ev): -46.0299 -46.0299 -22.7612 -22.7612 -22.1368 -22.1368 -22.0724 -22.0724 -14.3075 -14.3075 -6.3994 -6.3994 -5.8753 -5.8753 -5.7512 -5.7512 -0.8501 -0.8501 0.9844 0.9844 1.1754 1.1754 6.5777 6.5777 6.9323 6.9323 7.0098 7.0098 7.7405 7.7405 7.8995 7.8995 8.9211 8.9211 9.0285 9.0285 9.4199 9.4199 9.8476 9.8476 13.6771 13.6771 13.7265 13.7265 13.9949 13.9949 15.2988 15.2988 k =-0.3304 0.3295 0.0000 ( 2740 PWs) bands (ev): -46.0298 -46.0298 -22.7619 -22.7619 -22.1380 -22.1380 -22.0726 -22.0726 -14.3032 -14.3032 -6.3855 -6.3855 -5.8740 -5.8740 -5.7518 -5.7518 -0.8508 -0.8508 0.9796 0.9796 1.1758 1.1758 6.5406 6.5406 6.8679 6.8679 6.9700 6.9700 7.7281 7.7281 7.8706 7.8706 8.9472 8.9472 8.9995 8.9995 9.4289 9.4289 9.8663 9.8663 13.7133 13.7133 13.7597 13.7597 14.0341 14.0341 15.3112 15.3112 k =-0.3393 0.3384 0.0000 ( 2740 PWs) bands (ev): -46.0298 -46.0298 -22.7626 -22.7626 -22.1392 -22.1392 -22.0729 -22.0729 -14.2991 -14.2991 -6.3709 -6.3709 -5.8727 -5.8727 -5.7532 -5.7532 -0.8518 -0.8518 0.9739 0.9739 1.1765 1.1765 6.5047 6.5047 6.8057 6.8057 6.9316 6.9316 7.7161 7.7161 7.8429 7.8429 8.9674 8.9674 8.9803 8.9803 9.4378 9.4378 9.8853 9.8853 13.7483 13.7483 13.7916 13.7916 14.0721 14.0721 15.3226 15.3226 k =-0.3482 0.3473-0.0000 ( 2738 PWs) bands (ev): -46.0297 -46.0297 -22.7633 -22.7633 -22.1403 -22.1403 -22.0731 -22.0731 -14.2952 -14.2952 -6.3557 -6.3557 -5.8714 -5.8714 -5.7555 -5.7555 -0.8531 -0.8531 0.9675 0.9675 1.1775 1.1775 6.4700 6.4700 6.7461 6.7461 6.8948 6.8948 7.7045 7.7045 7.8165 7.8165 8.9429 8.9429 9.0092 9.0092 9.4464 9.4464 9.9045 9.9045 13.7821 13.7821 13.8220 13.8220 14.1088 14.1088 15.3330 15.3330 k =-0.3571 0.3562 0.0000 ( 2744 PWs) bands (ev): -46.0297 -46.0297 -22.7640 -22.7640 -22.1414 -22.1414 -22.0734 -22.0734 -14.2914 -14.2914 -6.3398 -6.3398 -5.8702 -5.8702 -5.7585 -5.7585 -0.8546 -0.8546 0.9603 0.9603 1.1788 1.1788 6.4365 6.4365 6.6895 6.6895 6.8595 6.8595 7.6932 7.6932 7.7914 7.7914 8.9169 8.9169 9.0426 9.0426 9.4549 9.4549 9.9237 9.9237 13.8145 13.8145 13.8510 13.8510 14.1439 14.1439 15.3425 15.3425 k =-0.3661 0.3651-0.0000 ( 2744 PWs) bands (ev): -46.0297 -46.0297 -22.7647 -22.7647 -22.1425 -22.1425 -22.0736 -22.0736 -14.2879 -14.2879 -6.3234 -6.3234 -5.8690 -5.8690 -5.7624 -5.7624 -0.8564 -0.8564 0.9527 0.9527 1.1804 1.1804 6.4042 6.4042 6.6360 6.6360 6.8259 6.8259 7.6824 7.6824 7.7677 7.7677 8.8921 8.8921 9.0776 9.0776 9.4632 9.4632 9.9428 9.9428 13.8454 13.8454 13.8784 13.8784 14.1774 14.1774 15.3511 15.3511 k =-0.3750 0.3740-0.0000 ( 2738 PWs) bands (ev): -46.0296 -46.0296 -22.7653 -22.7653 -22.1434 -22.1434 -22.0738 -22.0738 -14.2845 -14.2845 -6.3065 -6.3065 -5.8679 -5.8679 -5.7671 -5.7671 -0.8584 -0.8584 0.9448 0.9448 1.1822 1.1822 6.3729 6.3729 6.5859 6.5859 6.7940 6.7940 7.6721 7.6721 7.7454 7.7454 8.8685 8.8685 9.1134 9.1134 9.4714 9.4714 9.9615 9.9615 13.8747 13.8747 13.9044 13.9044 14.2092 14.2092 15.3587 15.3587 k =-0.3839 0.3829 0.0000 ( 2740 PWs) bands (ev): -46.0296 -46.0296 -22.7659 -22.7659 -22.1443 -22.1443 -22.0740 -22.0740 -14.2814 -14.2814 -6.2893 -6.2893 -5.8668 -5.8668 -5.7727 -5.7727 -0.8605 -0.8605 0.9366 0.9366 1.1843 1.1843 6.3428 6.3428 6.5394 6.5394 6.7640 6.7640 7.6622 7.6622 7.7244 7.7244 8.8462 8.8462 9.1496 9.1496 9.4794 9.4794 9.9797 9.9797 13.9022 13.9022 13.9288 13.9288 14.2391 14.2391 15.3655 15.3655 k =-0.3929 0.3918-0.0000 ( 2742 PWs) bands (ev): -46.0296 -46.0296 -22.7664 -22.7664 -22.1452 -22.1452 -22.0742 -22.0742 -14.2785 -14.2785 -6.2717 -6.2717 -5.8658 -5.8658 -5.7791 -5.7791 -0.8627 -0.8627 0.9285 0.9285 1.1864 1.1864 6.3137 6.3137 6.4968 6.4968 6.7358 6.7358 7.6530 7.6530 7.7049 7.7049 8.8254 8.8254 9.1855 9.1855 9.4874 9.4874 9.9972 9.9972 13.9279 13.9279 13.9517 13.9517 14.2672 14.2672 15.3715 15.3715 k =-0.4018 0.4007-0.0000 ( 2738 PWs) bands (ev): -46.0295 -46.0295 -22.7669 -22.7669 -22.1460 -22.1460 -22.0744 -22.0744 -14.2758 -14.2758 -6.2540 -6.2540 -5.8650 -5.8650 -5.7862 -5.7862 -0.8650 -0.8650 0.9204 0.9204 1.1886 1.1886 6.2857 6.2857 6.4582 6.4582 6.7096 6.7096 7.6442 7.6442 7.6869 7.6869 8.8060 8.8060 9.2206 9.2206 9.4953 9.4953 10.0139 10.0139 13.9516 13.9516 13.9732 13.9732 14.2932 14.2932 15.3768 15.3768 k =-0.4107 0.4096-0.0000 ( 2744 PWs) bands (ev): -46.0295 -46.0295 -22.7674 -22.7674 -22.1468 -22.1468 -22.0745 -22.0745 -14.2734 -14.2734 -6.2363 -6.2363 -5.8642 -5.8642 -5.7940 -5.7940 -0.8672 -0.8672 0.9126 0.9126 1.1908 1.1908 6.2590 6.2590 6.4236 6.4236 6.6855 6.6855 7.6361 7.6361 7.6704 7.6704 8.7881 8.7881 9.2542 9.2542 9.5032 9.5032 10.0296 10.0296 13.9732 13.9732 13.9931 13.9931 14.3171 14.3171 15.3813 15.3813 k =-0.4196 0.4185-0.0000 ( 2744 PWs) bands (ev): -46.0295 -46.0295 -22.7678 -22.7678 -22.1475 -22.1475 -22.0747 -22.0747 -14.2711 -14.2711 -6.2187 -6.2187 -5.8635 -5.8635 -5.8023 -5.8023 -0.8694 -0.8694 0.9052 0.9052 1.1930 1.1930 6.2336 6.2336 6.3930 6.3930 6.6635 6.6635 7.6287 7.6287 7.6554 7.6554 8.7718 8.7718 9.2858 9.2858 9.5111 9.5111 10.0442 10.0442 13.9926 13.9926 14.0116 14.0116 14.3389 14.3389 15.3852 15.3852 k =-0.4286 0.4274-0.0000 ( 2746 PWs) bands (ev): -46.0294 -46.0294 -22.7682 -22.7682 -22.1481 -22.1481 -22.0748 -22.0748 -14.2691 -14.2691 -6.2015 -6.2015 -5.8630 -5.8630 -5.8110 -5.8110 -0.8715 -0.8715 0.8983 0.8983 1.1950 1.1951 6.2098 6.2098 6.3663 6.3663 6.6437 6.6437 7.6219 7.6219 7.6420 7.6420 8.7572 8.7572 9.3148 9.3148 9.5191 9.5191 10.0576 10.0576 14.0098 14.0098 14.0286 14.0286 14.3584 14.3584 15.3884 15.3884 k =-0.4375 0.4363-0.0000 ( 2746 PWs) bands (ev): -46.0294 -46.0294 -22.7686 -22.7686 -22.1487 -22.1487 -22.0749 -22.0749 -14.2673 -14.2673 -6.1849 -6.1849 -5.8626 -5.8626 -5.8199 -5.8199 -0.8734 -0.8734 0.8920 0.8920 1.1970 1.1970 6.1879 6.1879 6.3434 6.3434 6.6261 6.6261 7.6158 7.6158 7.6301 7.6301 8.7442 8.7442 9.3408 9.3408 9.5271 9.5271 10.0697 10.0697 14.0247 14.0247 14.0439 14.0439 14.3757 14.3757 15.3911 15.3911 k =-0.4464 0.4453-0.0000 ( 2740 PWs) bands (ev): -46.0294 -46.0294 -22.7688 -22.7688 -22.1491 -22.1491 -22.0750 -22.0750 -14.2658 -14.2658 -6.1691 -6.1691 -5.8626 -5.8626 -5.8285 -5.8285 -0.8752 -0.8752 0.8864 0.8864 1.1987 1.1987 6.1682 6.1682 6.3240 6.3240 6.6107 6.6107 7.6105 7.6105 7.6197 7.6197 8.7328 8.7328 9.3633 9.3633 9.5352 9.5352 10.0804 10.0804 14.0375 14.0375 14.0575 14.0575 14.3908 14.3908 15.3934 15.3934 k =-0.4554 0.4542-0.0000 ( 2740 PWs) bands (ev): -46.0294 -46.0294 -22.7691 -22.7691 -22.1495 -22.1495 -22.0751 -22.0751 -14.2645 -14.2645 -6.1546 -6.1546 -5.8629 -5.8629 -5.8366 -5.8366 -0.8768 -0.8768 0.8815 0.8815 1.2003 1.2003 6.1510 6.1510 6.3079 6.3079 6.5977 6.5977 7.6059 7.6059 7.6110 7.6110 8.7232 8.7232 9.3820 9.3820 9.5430 9.5430 10.0896 10.0896 14.0483 14.0483 14.0692 14.0692 14.4035 14.4035 15.3951 15.3951 k =-0.4643 0.4631 0.0000 ( 2732 PWs) bands (ev): -46.0294 -46.0294 -22.7693 -22.7693 -22.1498 -22.1498 -22.0752 -22.0752 -14.2634 -14.2634 -6.1416 -6.1416 -5.8640 -5.8640 -5.8434 -5.8434 -0.8781 -0.8781 0.8775 0.8775 1.2016 1.2016 6.1366 6.1366 6.2950 6.2950 6.5870 6.5870 7.6019 7.6019 7.6040 7.6040 8.7153 8.7153 9.3971 9.3971 9.5503 9.5503 10.0972 10.0972 14.0570 14.0570 14.0789 14.0789 14.4139 14.4139 15.3965 15.3965 k =-0.4732 0.4720-0.0000 ( 2726 PWs) bands (ev): -46.0293 -46.0293 -22.7694 -22.7694 -22.1500 -22.1500 -22.0752 -22.0752 -14.2626 -14.2626 -6.1308 -6.1308 -5.8660 -5.8660 -5.8483 -5.8483 -0.8791 -0.8791 0.8743 0.8743 1.2026 1.2026 6.1252 6.1252 6.2852 6.2852 6.5786 6.5786 7.5977 7.5977 7.5997 7.5997 8.7091 8.7091 9.4084 9.4084 9.5566 9.5566 10.1032 10.1032 14.0638 14.0638 14.0865 14.0865 14.4220 14.4220 15.3976 15.3976 k =-0.4821 0.4809-0.0000 ( 2726 PWs) bands (ev): -46.0293 -46.0293 -22.7695 -22.7695 -22.1502 -22.1502 -22.0752 -22.0752 -14.2620 -14.2620 -6.1225 -6.1225 -5.8686 -5.8686 -5.8511 -5.8511 -0.8799 -0.8799 0.8719 0.8719 1.2033 1.2033 6.1169 6.1169 6.2782 6.2782 6.5726 6.5726 7.5939 7.5939 7.5974 7.5974 8.7047 8.7047 9.4163 9.4163 9.5615 9.5615 10.1075 10.1075 14.0686 14.0686 14.0920 14.0920 14.4278 14.4278 15.3983 15.3983 k =-0.4911 0.4898-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0752 -22.0752 -14.2616 -14.2616 -6.1173 -6.1173 -5.8708 -5.8708 -5.8524 -5.8524 -0.8804 -0.8804 0.8705 0.8705 1.2038 1.2038 6.1119 6.1119 6.2740 6.2740 6.5690 6.5690 7.5915 7.5915 7.5960 7.5960 8.7020 8.7020 9.4209 9.4209 9.5647 9.5647 10.1101 10.1101 14.0715 14.0715 14.0953 14.0953 14.4313 14.4313 15.3987 15.3987 k =-0.5000 0.4987-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1155 -6.1155 -5.8716 -5.8716 -5.8528 -5.8528 -0.8805 -0.8805 0.8701 0.8701 1.2039 1.2039 6.1102 6.1102 6.2727 6.2727 6.5678 6.5678 7.5907 7.5907 7.5956 7.5956 8.7012 8.7012 9.4225 9.4225 9.5658 9.5658 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4324 15.3988 15.3988 k =-0.5000 0.4987-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1155 -6.1155 -5.8716 -5.8716 -5.8528 -5.8528 -0.8805 -0.8805 0.8701 0.8701 1.2039 1.2039 6.1102 6.1102 6.2727 6.2727 6.5678 6.5678 7.5907 7.5907 7.5956 7.5956 8.7012 8.7012 9.4225 9.4225 9.5658 9.5658 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4324 15.3988 15.3988 k =-0.4987 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1156 -6.1155 -5.8719 -5.8713 -5.8530 -5.8526 -0.8806 -0.8805 0.8699 0.8702 1.2039 1.2040 6.1102 6.1102 6.2726 6.2727 6.5678 6.5679 7.5904 7.5908 7.5955 7.5959 8.7012 8.7012 9.4221 9.4228 9.5653 9.5661 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4325 15.3988 15.3988 k =-0.4987 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1156 -6.1155 -5.8719 -5.8713 -5.8530 -5.8526 -0.8806 -0.8805 0.8699 0.8702 1.2039 1.2040 6.1102 6.1102 6.2726 6.2727 6.5678 6.5679 7.5904 7.5908 7.5955 7.5959 8.7012 8.7012 9.4221 9.4228 9.5653 9.5661 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4325 15.3988 15.3988 k =-0.4987 0.5000 0.0126 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7697 -22.7696 -22.1504 -22.1504 -22.0754 -22.0753 -14.2614 -14.2614 -6.1148 -6.1147 -5.8716 -5.8710 -5.8528 -5.8523 -0.8829 -0.8803 0.8687 0.8690 1.2000 1.2036 6.1098 6.1110 6.2754 6.2755 6.5678 6.5678 7.5911 7.5917 7.5963 7.5969 8.6964 8.6969 9.4233 9.4240 9.5660 9.5669 10.1110 10.1111 14.0726 14.0736 14.0963 14.0968 14.4327 14.4329 15.4036 15.4048 k =-0.4987 0.5000 0.0252 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7698 -22.7696 -22.1504 -22.1504 -22.0756 -22.0754 -14.2611 -14.2611 -6.1125 -6.1122 -5.8709 -5.8701 -5.8521 -5.8516 -0.8875 -0.8821 0.8651 0.8654 1.1918 1.1990 6.1098 6.1121 6.2837 6.2839 6.5678 6.5678 7.5928 7.5939 7.5989 7.5999 8.6828 8.6837 9.4269 9.4277 9.5679 9.5690 10.1113 10.1114 14.0741 14.0763 14.0968 14.0975 14.4338 14.4342 15.4189 15.4213 k =-0.4987 0.5000 0.0378 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7699 -22.7697 -22.1504 -22.1504 -22.0760 -22.0757 -14.2606 -14.2606 -6.1085 -6.1082 -5.8696 -5.8686 -5.8509 -5.8505 -0.8941 -0.8861 0.8592 0.8595 1.1796 1.1902 6.1102 6.1133 6.2977 6.2978 6.5677 6.5678 7.5954 7.5970 7.6038 7.6051 8.6605 8.6618 9.4328 9.4337 9.5712 9.5725 10.1118 10.1119 14.0766 14.0803 14.0982 14.0987 14.4357 14.4363 15.4445 15.4480 k =-0.4987 0.5000 0.0504 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7701 -22.7698 -22.1503 -22.1503 -22.0765 -22.0761 -14.2599 -14.2599 -6.1030 -6.1025 -5.8678 -5.8666 -5.8493 -5.8489 -0.9027 -0.8922 0.8509 0.8512 1.1633 1.1773 6.1108 6.1146 6.3170 6.3173 6.5677 6.5677 7.5986 7.6006 7.6112 7.6127 8.6301 8.6317 9.4409 9.4419 9.5759 9.5774 10.1126 10.1127 14.0796 14.0853 14.1009 14.1012 14.4383 14.4391 15.4798 15.4844 k =-0.4987 0.5000 0.0630 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7703 -22.7699 -22.1503 -22.1503 -22.0771 -22.0766 -14.2589 -14.2589 -6.0959 -6.0953 -5.8655 -5.8640 -5.8473 -5.8468 -0.9134 -0.9003 0.8403 0.8407 1.1432 1.1605 6.1115 6.1157 6.3417 6.3423 6.5676 6.5676 7.6024 7.6049 7.6208 7.6223 8.5922 8.5940 9.4512 9.4522 9.5819 9.5836 10.1135 10.1136 14.0828 14.0907 14.1050 14.1065 14.4417 14.4427 15.5243 15.5297 k =-0.4987 0.5000 0.0756 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7705 -22.7700 -22.1503 -22.1502 -22.0778 -22.0772 -14.2578 -14.2578 -6.0873 -6.0866 -5.8627 -5.8609 -5.8448 -5.8443 -0.9259 -0.9105 0.8276 0.8280 1.1196 1.1399 6.1123 6.1167 6.3715 6.3725 6.5675 6.5676 7.6067 7.6098 7.6322 7.6338 8.5473 8.5494 9.4636 9.4646 9.5892 9.5910 10.1147 10.1148 14.0863 14.0956 14.1120 14.1142 14.4459 14.4470 15.5771 15.5832 k =-0.4987 0.5000 0.0882 ( 2740 PWs) bands (ev): -46.0293 -46.0293 -22.7708 -22.7702 -22.1502 -22.1502 -22.0786 -22.0779 -14.2565 -14.2565 -6.0773 -6.0764 -5.8593 -5.8573 -5.8419 -5.8414 -0.9403 -0.9225 0.8128 0.8132 1.0927 1.1159 6.1130 6.1174 6.4062 6.4075 6.5674 6.5676 7.6114 7.6152 7.6452 7.6469 8.4964 8.4985 9.4779 9.4789 9.5979 9.5998 10.1161 10.1162 14.0904 14.1004 14.1218 14.1241 14.4508 14.4519 15.6373 15.6439 k =-0.4987 0.5000 0.1008 ( 2753 PWs) bands (ev): -46.0292 -46.0292 -22.7711 -22.7705 -22.1502 -22.1502 -22.0796 -22.0788 -14.2550 -14.2550 -6.0658 -6.0648 -5.8555 -5.8533 -5.8386 -5.8381 -0.9564 -0.9364 0.7960 0.7965 1.0629 1.0887 6.1137 6.1180 6.4455 6.4469 6.5673 6.5677 7.6164 7.6210 7.6596 7.6614 8.4401 8.4422 9.4940 9.4950 9.6079 9.6100 10.1176 10.1177 14.0955 14.1058 14.1339 14.1360 14.4563 14.4575 15.7040 15.7111 k =-0.4987 0.5000 0.1134 ( 2757 PWs) bands (ev): -46.0292 -46.0292 -22.7714 -22.7707 -22.1501 -22.1501 -22.0806 -22.0798 -14.2533 -14.2533 -6.0530 -6.0519 -5.8512 -5.8487 -5.8349 -5.8344 -0.9741 -0.9520 0.7775 0.7780 1.0303 1.0586 6.1142 6.1184 6.4889 6.4901 6.5673 6.5681 7.6214 7.6269 7.6749 7.6770 8.3794 8.3815 9.5121 9.5130 9.6193 9.6214 10.1193 10.1195 14.1019 14.1123 14.1478 14.1497 14.4625 14.4637 15.7763 15.7837 k =-0.4987 0.5000 0.1260 ( 2756 PWs) bands (ev): -46.0292 -46.0292 -22.7718 -22.7710 -22.1501 -22.1500 -22.0817 -22.0808 -14.2515 -14.2515 -6.0389 -6.0376 -5.8465 -5.8438 -5.8308 -5.8303 -0.9933 -0.9693 0.7572 0.7578 0.9954 1.0259 6.1146 6.1187 6.5350 6.5360 6.5677 6.5703 7.6262 7.6327 7.6909 7.6932 8.3154 8.3173 9.5319 9.5327 9.6321 9.6343 10.1212 10.1214 14.1099 14.1202 14.1633 14.1650 14.4692 14.4706 15.8533 15.8608 k =-0.4987 0.5000 0.1386 ( 2754 PWs) bands (ev): -46.0292 -46.0292 -22.7721 -22.7713 -22.1500 -22.1500 -22.0828 -22.0818 -14.2495 -14.2495 -6.0235 -6.0221 -5.8414 -5.8384 -5.8264 -5.8259 -1.0139 -0.9881 0.7354 0.7360 0.9585 0.9910 6.1149 6.1187 6.5620 6.5658 6.5885 6.5938 7.6303 7.6380 7.7070 7.7096 8.2493 8.2509 9.5535 9.5543 9.6464 9.6486 10.1233 10.1235 14.1195 14.1296 14.1803 14.1818 14.4765 14.4779 15.9339 15.9416 k =-0.4987 0.5000 0.1512 ( 2748 PWs) bands (ev): -46.0291 -46.0291 -22.7725 -22.7716 -22.1499 -22.1498 -22.0840 -22.0830 -14.2474 -14.2474 -6.0071 -6.0056 -5.8358 -5.8326 -5.8216 -5.8211 -1.0357 -1.0082 0.7122 0.7129 0.9199 0.9541 6.1150 6.1186 6.5648 6.5665 6.6413 6.6441 7.6332 7.6420 7.7226 7.7257 8.1828 8.1839 9.5768 9.5776 9.6623 9.6644 10.1255 10.1258 14.1307 14.1406 14.1986 14.2000 14.4844 14.4857 16.0174 16.0251 k =-0.4987 0.5000 0.1638 ( 2744 PWs) bands (ev): -46.0291 -46.0291 -22.7729 -22.7720 -22.1498 -22.1498 -22.0853 -22.0842 -14.2452 -14.2451 -5.9896 -5.9879 -5.8300 -5.8264 -5.8165 -5.8160 -1.0586 -1.0296 0.6878 0.6886 0.8799 0.9156 6.1148 6.1183 6.5654 6.5666 6.6972 6.6987 7.6337 7.6437 7.7370 7.7407 8.1179 8.1185 9.6019 9.6026 9.6796 9.6818 10.1278 10.1282 14.1437 14.1532 14.2181 14.2194 14.4926 14.4940 16.1026 16.1103 k =-0.4987 0.5000 0.1764 ( 2746 PWs) bands (ev): -46.0291 -46.0291 -22.7733 -22.7723 -22.1497 -22.1497 -22.0867 -22.0855 -14.2428 -14.2428 -5.9712 -5.9693 -5.8238 -5.8200 -5.8111 -5.8107 -1.0823 -1.0521 0.6624 0.6632 0.8389 0.8757 6.1144 6.1177 6.5656 6.5667 6.7551 6.7554 7.6302 7.6411 7.7491 7.7534 8.0572 8.0586 9.6285 9.6292 9.6985 9.7007 10.1302 10.1307 14.1582 14.1675 14.2388 14.2399 14.5013 14.5027 16.1887 16.1965 k =-0.4987 0.5000 0.1889 ( 2744 PWs) bands (ev): -46.0290 -46.0290 -22.7737 -22.7727 -22.1496 -22.1496 -22.0881 -22.0869 -14.2403 -14.2403 -5.9519 -5.9499 -5.8173 -5.8132 -5.8055 -5.8050 -1.1069 -1.0756 0.6361 0.6370 0.7972 0.8349 6.1137 6.1168 6.5658 6.5667 6.8133 6.8145 7.6201 7.6309 7.7580 7.7626 8.0054 8.0085 9.6566 9.6574 9.7191 9.7212 10.1328 10.1333 14.1743 14.1832 14.2604 14.2615 14.5103 14.5117 16.2748 16.2825 k =-0.4987 0.5000 0.2015 ( 2740 PWs) bands (ev): -46.0290 -46.0290 -22.7742 -22.7731 -22.1495 -22.1494 -22.0895 -22.0883 -14.2378 -14.2378 -5.9320 -5.9297 -5.8106 -5.8062 -5.7996 -5.7991 -1.1321 -1.0999 0.6091 0.6100 0.7550 0.7934 6.1127 6.1156 6.5660 6.5668 6.8718 6.8748 7.5993 7.6088 7.7634 7.7675 7.9677 7.9729 9.6862 9.6871 9.7412 9.7433 10.1355 10.1361 14.1918 14.2003 14.2830 14.2840 14.5196 14.5210 16.3598 16.3676 k =-0.4987 0.5000 0.2141 ( 2738 PWs) bands (ev): -46.0289 -46.0289 -22.7746 -22.7735 -22.1494 -22.1493 -22.0910 -22.0897 -14.2352 -14.2352 -5.9114 -5.9090 -5.8037 -5.7990 -5.7935 -5.7930 -1.1577 -1.1248 0.5815 0.5826 0.7128 0.7515 6.1114 6.1140 6.5661 6.5669 6.9305 6.9355 7.5648 7.5719 7.7659 7.7700 7.9470 7.9535 9.7172 9.7182 9.7648 9.7670 10.1382 10.1390 14.2107 14.2187 14.3063 14.3072 14.5292 14.5305 16.4427 16.4508 k =-0.4987 0.5000 0.2267 ( 2746 PWs) bands (ev): -46.0289 -46.0289 -22.7751 -22.7740 -22.1493 -22.1492 -22.0925 -22.0913 -14.2325 -14.2325 -5.8905 -5.8877 -5.7967 -5.7916 -5.7871 -5.7867 -1.1837 -1.1502 0.5536 0.5548 0.6706 0.7095 6.1096 6.1120 6.5663 6.5670 6.9888 6.9960 7.5165 7.5213 7.7669 7.7737 7.9407 7.9477 9.7493 9.7504 9.7900 9.7922 10.1410 10.1419 14.2307 14.2383 14.3304 14.3312 14.5389 14.5402 16.5226 16.5309 k =-0.4987 0.5000 0.2393 ( 2740 PWs) bands (ev): -46.0288 -46.0288 -22.7755 -22.7745 -22.1491 -22.1491 -22.0940 -22.0927 -14.2298 -14.2298 -5.8692 -5.8661 -5.7896 -5.7841 -5.7805 -5.7801 -1.2097 -1.1760 0.5254 0.5268 0.6288 0.6676 6.1072 6.1095 6.5665 6.5672 7.0460 7.0557 7.4582 7.4612 7.7687 7.7795 7.9438 7.9507 9.7825 9.7837 9.8166 9.8188 10.1439 10.1449 14.2517 14.2590 14.3549 14.3557 14.5487 14.5500 16.5982 16.6071 k =-0.4987 0.5000 0.2519 ( 2736 PWs) bands (ev): -46.0288 -46.0288 -22.7760 -22.7749 -22.1490 -22.1490 -22.0955 -22.0942 -14.2271 -14.2271 -5.8479 -5.8443 -5.7826 -5.7764 -5.7737 -5.7733 -1.2358 -1.2019 0.4973 0.4988 0.5877 0.6261 6.1043 6.1065 6.5667 6.5674 7.1012 7.1138 7.3942 7.3962 7.7724 7.7872 7.9518 7.9585 9.8166 9.8178 9.8444 9.8468 10.1468 10.1480 14.2736 14.2805 14.3799 14.3806 14.5586 14.5599 16.6684 16.6782 k =-0.4987 0.5000 0.2645 ( 2738 PWs) bands (ev): -46.0288 -46.0288 -22.7765 -22.7754 -22.1489 -22.1489 -22.0970 -22.0957 -14.2244 -14.2244 -5.8268 -5.8224 -5.7756 -5.7687 -5.7667 -5.7662 -1.2616 -1.2279 0.4693 0.4710 0.5475 0.5852 6.1008 6.1027 6.5670 6.5676 7.1527 7.1685 7.3292 7.3307 7.7780 7.7965 7.9623 7.9687 9.8512 9.8526 9.8735 9.8760 10.1497 10.1511 14.2962 14.3028 14.4052 14.4059 14.5684 14.5697 16.7323 16.7432 k =-0.4987 0.5000 0.2771 ( 2740 PWs) bands (ev): -46.0287 -46.0287 -22.7770 -22.7759 -22.1489 -22.1488 -22.0985 -22.0972 -14.2217 -14.2216 -5.8063 -5.8008 -5.7687 -5.7607 -5.7594 -5.7586 -1.2871 -1.2537 0.4415 0.4435 0.5084 0.5451 6.0964 6.0982 6.5672 6.5678 7.1913 7.2079 7.2755 7.2767 7.7853 7.8073 7.9738 7.9799 9.8863 9.8877 9.9035 9.9062 10.1526 10.1543 14.3194 14.3256 14.4306 14.4313 14.5782 14.5795 16.7888 16.8013 k =-0.4987 0.5000 0.2897 ( 2740 PWs) bands (ev): -46.0287 -46.0287 -22.7774 -22.7764 -22.1487 -22.1487 -22.1000 -22.0987 -14.2190 -14.2190 -5.7872 -5.7798 -5.7620 -5.7529 -5.7515 -5.7499 -1.3121 -1.2792 0.4141 0.4165 0.4706 0.5060 6.0913 6.0929 6.5675 6.5680 7.1705 7.1760 7.2781 7.2936 7.7942 7.8194 7.9854 7.9914 9.9215 9.9230 9.9342 9.9373 10.1555 10.1575 14.3429 14.3488 14.4560 14.4567 14.5878 14.5891 16.8372 16.8516 k =-0.4987 0.5000 0.3023 ( 2740 PWs) bands (ev): -46.0286 -46.0286 -22.7779 -22.7768 -22.1486 -22.1486 -22.1014 -22.1001 -14.2163 -14.2163 -5.7708 -5.7607 -5.7553 -5.7455 -5.7419 -5.7388 -1.3364 -1.3043 0.3872 0.3902 0.4344 0.4682 6.0853 6.0867 6.5678 6.5683 7.1123 7.1151 7.3170 7.3383 7.8048 7.8329 7.9967 8.0026 9.9566 9.9581 9.9656 9.9691 10.1585 10.1608 14.3666 14.3722 14.4813 14.4820 14.5972 14.5985 16.8770 16.8938 k =-0.4987 0.5000 0.3149 ( 2748 PWs) bands (ev): -46.0286 -46.0286 -22.7783 -22.7773 -22.1486 -22.1485 -22.1028 -22.1016 -14.2138 -14.2138 -5.7581 -5.7496 -5.7453 -5.7382 -5.7283 -5.7243 -1.3600 -1.3288 0.3608 0.3645 0.4000 0.4318 6.0783 6.0796 6.5680 6.5685 7.0515 7.0536 7.3577 7.3825 7.8172 7.8477 8.0075 8.0134 9.9911 9.9925 9.9976 10.0013 10.1614 10.1642 14.3904 14.3957 14.5063 14.5070 14.6064 14.6077 16.9086 16.9279 k =-0.4987 0.5000 0.3275 ( 2752 PWs) bands (ev): -46.0286 -46.0286 -22.7788 -22.7778 -22.1485 -22.1484 -22.1042 -22.1030 -14.2113 -14.2113 -5.7487 -5.7434 -5.7357 -5.7312 -5.7105 -5.7073 -1.3826 -1.3525 0.3350 0.3398 0.3678 0.3970 6.0702 6.0714 6.5683 6.5688 6.9930 6.9947 7.3959 7.4233 7.8314 7.8638 8.0175 8.0234 10.0248 10.0254 10.0301 10.0337 10.1643 10.1677 14.4139 14.4190 14.5309 14.5316 14.6152 14.6166 16.9322 16.9543 k =-0.4987 0.5000 0.3401 ( 2752 PWs) bands (ev): -46.0285 -46.0285 -22.7792 -22.7783 -22.1484 -22.1483 -22.1055 -22.1043 -14.2089 -14.2089 -5.7411 -5.7376 -5.7279 -5.7243 -5.6916 -5.6893 -1.4042 -1.3754 0.3098 0.3160 0.3379 0.3640 6.0612 6.0622 6.5686 6.5691 6.9379 6.9394 7.4306 7.4597 7.8477 7.8811 8.0268 8.0327 10.0567 10.0575 10.0629 10.0659 10.1673 10.1716 14.4371 14.4420 14.5549 14.5555 14.6237 14.6251 16.9489 16.9739 k =-0.4987 0.5000 0.3527 ( 2760 PWs) bands (ev): -46.0285 -46.0285 -22.7796 -22.7787 -22.1483 -22.1483 -22.1067 -22.1056 -14.2066 -14.2066 -5.7346 -5.7321 -5.7209 -5.7178 -5.6730 -5.6713 -1.4246 -1.3973 0.2851 0.2933 0.3106 0.3330 6.0512 6.0520 6.5689 6.5693 6.8871 6.8884 7.4614 7.4913 7.8659 7.8994 8.0351 8.0412 10.0863 10.0890 10.0947 10.0972 10.1706 10.1762 14.4598 14.4644 14.5781 14.5788 14.6318 14.6332 16.9599 16.9876 k =-0.4987 0.5000 0.3653 ( 2760 PWs) bands (ev): -46.0285 -46.0285 -22.7800 -22.7791 -22.1483 -22.1482 -22.1078 -22.1068 -14.2044 -14.2044 -5.7288 -5.7269 -5.7144 -5.7116 -5.6551 -5.6539 -1.4436 -1.4180 0.2611 0.2717 0.2860 0.3041 6.0402 6.0409 6.5692 6.5696 6.8407 6.8418 7.4884 7.5182 7.8858 7.9183 8.0427 8.0489 10.1136 10.1192 10.1249 10.1264 10.1747 10.1822 14.4817 14.4862 14.6004 14.6010 14.6394 14.6408 16.9663 16.9964 k =-0.4987 0.5000 0.3779 ( 2760 PWs) bands (ev): -46.0284 -46.0284 -22.7803 -22.7795 -22.1482 -22.1481 -22.1089 -22.1079 -14.2024 -14.2024 -5.7236 -5.7221 -5.7083 -5.7058 -5.6382 -5.6373 -1.4613 -1.4374 0.2382 0.2511 0.2641 0.2777 6.0286 6.0291 6.5695 6.5698 6.7990 6.8000 7.5116 7.5404 7.9069 7.9376 8.0494 8.0557 10.1367 10.1478 10.1511 10.1532 10.1821 10.1914 14.5026 14.5070 14.6214 14.6220 14.6467 14.6481 16.9693 17.0014 k =-0.4987 0.5000 0.3905 ( 2761 PWs) bands (ev): -46.0284 -46.0284 -22.7806 -22.7799 -22.1481 -22.1481 -22.1098 -22.1090 -14.2005 -14.2005 -5.7188 -5.7176 -5.7027 -5.7004 -5.6225 -5.6219 -1.4775 -1.4555 0.2168 0.2315 0.2445 0.2540 6.0164 6.0168 6.5698 6.5701 6.7620 6.7629 7.5314 7.5585 7.9287 7.9567 8.0553 8.0618 10.1531 10.1647 10.1753 10.1794 10.1979 10.2058 14.5225 14.5266 14.6405 14.6413 14.6540 14.6553 16.9701 17.0032 k =-0.4987 0.5000 0.4031 ( 2756 PWs) bands (ev): -46.0284 -46.0284 -22.7809 -22.7802 -22.1480 -22.1480 -22.1107 -22.1099 -14.1988 -14.1988 -5.7145 -5.7136 -5.6975 -5.6954 -5.6081 -5.6076 -1.4920 -1.4722 0.1971 0.2128 0.2271 0.2333 6.0041 6.0044 6.5700 6.5703 6.7298 6.7305 7.5481 7.5729 7.9504 7.9751 8.0604 8.0672 10.1627 10.1706 10.2004 10.2037 10.2196 10.2246 14.5410 14.5450 14.6546 14.6561 14.6642 14.6649 16.9695 17.0016 k =-0.4987 0.5000 0.4157 ( 2756 PWs) bands (ev): -46.0284 -46.0284 -22.7811 -22.7805 -22.1480 -22.1479 -22.1114 -22.1107 -14.1973 -14.1973 -5.7107 -5.7099 -5.6929 -5.6910 -5.5951 -5.5947 -1.5049 -1.4872 0.1796 0.1951 0.2117 0.2157 5.9919 5.9921 6.5702 6.5705 6.7021 6.7027 7.5621 7.5842 7.9713 7.9923 8.0648 8.0718 10.1683 10.1737 10.2234 10.2259 10.2416 10.2447 14.5580 14.5618 14.6618 14.6635 14.6792 14.6796 16.9685 16.9944 k =-0.4987 0.5000 0.4283 ( 2760 PWs) bands (ev): -46.0283 -46.0283 -22.7813 -22.7808 -22.1479 -22.1479 -22.1121 -22.1115 -14.1959 -14.1959 -5.7073 -5.7067 -5.6888 -5.6871 -5.5836 -5.5834 -1.5160 -1.5007 0.1643 0.1787 0.1984 0.2009 5.9802 5.9804 6.5704 6.5707 6.6789 6.6793 7.5736 7.5928 7.9909 8.0078 8.0685 8.0758 10.1720 10.1758 10.2438 10.2458 10.2617 10.2638 14.5734 14.5768 14.6668 14.6685 14.6938 14.6942 16.9677 16.9772 k =-0.4987 0.5000 0.4409 ( 2764 PWs) bands (ev): -46.0283 -46.0283 -22.7815 -22.7811 -22.1479 -22.1479 -22.1127 -22.1122 -14.1948 -14.1948 -5.7044 -5.7040 -5.6852 -5.6838 -5.5737 -5.5736 -1.5253 -1.5124 0.1515 0.1641 0.1871 0.1888 5.9696 5.9697 6.5706 6.5708 6.6597 6.6601 7.5832 7.5992 8.0085 8.0214 8.0717 8.0790 10.1747 10.1774 10.2616 10.2631 10.2793 10.2808 14.5868 14.5899 14.6708 14.6724 14.7068 14.7071 16.9516 16.9680 k =-0.4987 0.5000 0.4535 ( 2768 PWs) bands (ev): -46.0283 -46.0283 -22.7817 -22.7813 -22.1479 -22.1478 -22.1132 -22.1128 -14.1938 -14.1938 -5.7021 -5.7017 -5.6822 -5.6811 -5.5656 -5.5654 -1.5327 -1.5223 0.1411 0.1515 0.1778 0.1790 5.9602 5.9603 6.5708 6.5709 6.6445 6.6448 7.5909 7.6037 8.0236 8.0328 8.0743 8.0815 10.1766 10.1786 10.2764 10.2776 10.2941 10.2952 14.5982 14.6009 14.6740 14.6755 14.7178 14.7181 16.9261 16.9351 k =-0.4987 0.5000 0.4661 ( 2778 PWs) bands (ev): -46.0283 -46.0283 -22.7818 -22.7815 -22.1479 -22.1478 -22.1136 -22.1133 -14.1931 -14.1931 -5.7002 -5.6999 -5.6798 -5.6790 -5.5591 -5.5590 -1.5383 -1.5304 0.1333 0.1413 0.1705 0.1715 5.9525 5.9526 6.5709 6.5710 6.6329 6.6331 7.5970 7.6067 8.0360 8.0417 8.0766 8.0831 10.1781 10.1794 10.2882 10.2891 10.3058 10.3066 14.6074 14.6096 14.6765 14.6778 14.7265 14.7267 16.9049 16.9108 k =-0.4987 0.5000 0.4787 ( 2784 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7817 -22.1479 -22.1478 -22.1139 -22.1137 -14.1925 -14.1925 -5.6988 -5.6987 -5.6781 -5.6775 -5.5545 -5.5544 -1.5419 -1.5366 0.1281 0.1335 0.1653 0.1661 5.9468 5.9469 6.5710 6.5711 6.6248 6.6249 7.6017 7.6082 8.0450 8.0480 8.0787 8.0839 10.1791 10.1800 10.2967 10.2974 10.3143 10.3149 14.6142 14.6157 14.6783 14.6793 14.7328 14.7330 16.8893 16.8932 k =-0.4987 0.5000 0.4913 ( 2792 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7819 -22.1479 -22.1478 -22.1141 -22.1140 -14.1922 -14.1922 -5.6980 -5.6979 -5.6770 -5.6767 -5.5517 -5.5517 -1.5435 -1.5408 0.1256 0.1283 0.1622 0.1629 5.9433 5.9434 6.5710 6.5711 6.6200 6.6200 7.6051 7.6084 8.0506 8.0518 8.0806 8.0836 10.1798 10.1802 10.3018 10.3024 10.3194 10.3200 14.6185 14.6193 14.6795 14.6800 14.7367 14.7368 16.8799 16.8823 k =-0.4987 0.5000 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1478 -22.1141 -22.1141 -14.1921 -14.1921 -5.6978 -5.6977 -5.6765 -5.6764 -5.5508 -5.5507 -1.5433 -1.5429 0.1255 0.1257 0.1611 0.1618 5.9422 5.9422 6.5711 6.5711 6.6184 6.6184 7.6071 7.6076 8.0527 8.0528 8.0820 8.0828 10.1802 10.1802 10.3036 10.3041 10.3211 10.3216 14.6202 14.6203 14.6801 14.6802 14.7380 14.7380 16.8769 16.8786 k =-0.4987 0.5000 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7819 -22.1479 -22.1478 -22.1141 -22.1141 -14.1921 -14.1921 -5.6978 -5.6977 -5.6765 -5.6764 -5.5508 -5.5507 -1.5433 -1.5429 0.1255 0.1257 0.1611 0.1618 5.9422 5.9422 6.5711 6.5711 6.6184 6.6184 7.6071 7.6076 8.0527 8.0528 8.0820 8.0828 10.1802 10.1802 10.3036 10.3041 10.3211 10.3216 14.6202 14.6203 14.6801 14.6802 14.7380 14.7380 16.8769 16.8786 k =-0.5000 0.4987 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7820 -22.1479 -22.1479 -22.1141 -22.1141 -14.1921 -14.1921 -5.6977 -5.6977 -5.6765 -5.6765 -5.5508 -5.5508 -1.5432 -1.5432 0.1256 0.1256 0.1615 0.1615 5.9421 5.9421 6.5711 6.5711 6.6184 6.6184 7.6074 7.6074 8.0528 8.0528 8.0824 8.0824 10.1802 10.1802 10.3039 10.3039 10.3214 10.3214 14.6203 14.6203 14.6801 14.6801 14.7380 14.7380 16.8778 16.8778 k =-0.5000 0.4987 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7820 -22.1479 -22.1479 -22.1141 -22.1141 -14.1921 -14.1921 -5.6977 -5.6977 -5.6765 -5.6765 -5.5508 -5.5508 -1.5432 -1.5432 0.1256 0.1256 0.1615 0.1615 5.9421 5.9421 6.5711 6.5711 6.6184 6.6184 7.6074 7.6074 8.0528 8.0528 8.0824 8.0824 10.1802 10.1802 10.3039 10.3039 10.3214 10.3214 14.6203 14.6203 14.6801 14.6801 14.7380 14.7380 16.8778 16.8778 k =-0.5000 0.4987 0.4913 ( 2792 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7819 -22.1479 -22.1479 -22.1141 -22.1140 -14.1922 -14.1922 -5.6980 -5.6979 -5.6769 -5.6766 -5.5517 -5.5517 -1.5435 -1.5408 0.1255 0.1282 0.1624 0.1626 5.9433 5.9433 6.5710 6.5711 6.6200 6.6200 7.6052 7.6084 8.0506 8.0518 8.0807 8.0836 10.1798 10.1803 10.3020 10.3023 10.3196 10.3198 14.6185 14.6193 14.6796 14.6801 14.7367 14.7368 16.8803 16.8820 k =-0.5000 0.4987 0.4787 ( 2784 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7817 -22.1479 -22.1479 -22.1139 -22.1137 -14.1925 -14.1925 -5.6988 -5.6987 -5.6781 -5.6775 -5.5545 -5.5544 -1.5419 -1.5366 0.1281 0.1335 0.1655 0.1658 5.9468 5.9468 6.5710 6.5710 6.6248 6.6249 7.6017 7.6082 8.0451 8.0481 8.0787 8.0839 10.1791 10.1800 10.2968 10.2973 10.3144 10.3148 14.6142 14.6158 14.6784 14.6793 14.7329 14.7330 16.8895 16.8930 k =-0.5000 0.4987 0.4661 ( 2780 PWs) bands (ev): -46.0283 -46.0283 -22.7818 -22.7816 -22.1479 -22.1479 -22.1136 -22.1133 -14.1931 -14.1931 -5.7002 -5.6999 -5.6798 -5.6790 -5.5591 -5.5590 -1.5383 -1.5304 0.1333 0.1413 0.1707 0.1712 5.9525 5.9526 6.5709 6.5710 6.6329 6.6331 7.5970 7.6067 8.0360 8.0417 8.0766 8.0831 10.1781 10.1795 10.2883 10.2890 10.3059 10.3066 14.6074 14.6096 14.6765 14.6778 14.7265 14.7267 16.9051 16.9108 k =-0.5000 0.4987 0.4535 ( 2768 PWs) bands (ev): -46.0283 -46.0283 -22.7817 -22.7813 -22.1479 -22.1479 -22.1132 -22.1128 -14.1938 -14.1938 -5.7020 -5.7017 -5.6822 -5.6811 -5.5655 -5.5654 -1.5328 -1.5223 0.1411 0.1515 0.1779 0.1788 5.9602 5.9602 6.5707 6.5709 6.6445 6.6448 7.5909 7.6037 8.0237 8.0328 8.0743 8.0815 10.1766 10.1786 10.2765 10.2776 10.2942 10.2952 14.5982 14.6009 14.6740 14.6755 14.7178 14.7181 16.9268 16.9351 k =-0.5000 0.4987 0.4409 ( 2764 PWs) bands (ev): -46.0283 -46.0283 -22.7815 -22.7811 -22.1479 -22.1479 -22.1127 -22.1122 -14.1948 -14.1948 -5.7044 -5.7040 -5.6852 -5.6838 -5.5737 -5.5736 -1.5253 -1.5124 0.1515 0.1641 0.1872 0.1886 5.9695 5.9696 6.5706 6.5708 6.6597 6.6601 7.5832 7.5992 8.0085 8.0215 8.0717 8.0790 10.1747 10.1775 10.2617 10.2631 10.2794 10.2808 14.5868 14.5900 14.6708 14.6724 14.7068 14.7072 16.9521 16.9674 k =-0.5000 0.4987 0.4283 ( 2760 PWs) bands (ev): -46.0283 -46.0283 -22.7813 -22.7808 -22.1479 -22.1479 -22.1121 -22.1115 -14.1959 -14.1959 -5.7073 -5.7067 -5.6887 -5.6871 -5.5836 -5.5834 -1.5160 -1.5007 0.1643 0.1787 0.1985 0.2008 5.9802 5.9804 6.5704 6.5706 6.6789 6.6793 7.5737 7.5928 7.9909 8.0079 8.0685 8.0758 10.1721 10.1759 10.2439 10.2458 10.2617 10.2638 14.5734 14.5769 14.6668 14.6685 14.6939 14.6942 16.9678 16.9770 k =-0.5000 0.4987 0.4157 ( 2756 PWs) bands (ev): -46.0284 -46.0284 -22.7811 -22.7805 -22.1480 -22.1479 -22.1114 -22.1107 -14.1973 -14.1973 -5.7106 -5.7099 -5.6929 -5.6910 -5.5951 -5.5947 -1.5049 -1.4873 0.1796 0.1951 0.2118 0.2155 5.9918 5.9921 6.5702 6.5705 6.7021 6.7027 7.5621 7.5842 7.9713 7.9923 8.0648 8.0718 10.1684 10.1738 10.2234 10.2259 10.2416 10.2447 14.5581 14.5618 14.6618 14.6635 14.6792 14.6796 16.9685 16.9944 k =-0.5000 0.4987 0.4031 ( 2756 PWs) bands (ev): -46.0284 -46.0284 -22.7809 -22.7802 -22.1480 -22.1480 -22.1107 -22.1099 -14.1988 -14.1988 -5.7145 -5.7136 -5.6975 -5.6954 -5.6081 -5.6076 -1.4920 -1.4722 0.1971 0.2128 0.2272 0.2331 6.0040 6.0043 6.5700 6.5703 6.7298 6.7305 7.5481 7.5729 7.9504 7.9751 8.0604 8.0672 10.1627 10.1706 10.2005 10.2036 10.2197 10.2246 14.5411 14.5450 14.6547 14.6561 14.6643 14.6649 16.9695 17.0015 k =-0.5000 0.4987 0.3905 ( 2762 PWs) bands (ev): -46.0284 -46.0284 -22.7806 -22.7799 -22.1481 -22.1481 -22.1099 -22.1090 -14.2005 -14.2005 -5.7188 -5.7176 -5.7027 -5.7003 -5.6225 -5.6219 -1.4775 -1.4556 0.2168 0.2315 0.2446 0.2538 6.0164 6.0168 6.5697 6.5700 6.7620 6.7629 7.5314 7.5585 7.9287 7.9567 8.0553 8.0618 10.1531 10.1648 10.1754 10.1794 10.1979 10.2058 14.5225 14.5267 14.6405 14.6413 14.6540 14.6553 16.9700 17.0031 k =-0.5000 0.4987 0.3779 ( 2760 PWs) bands (ev): -46.0284 -46.0284 -22.7803 -22.7795 -22.1482 -22.1481 -22.1089 -22.1079 -14.2024 -14.2024 -5.7235 -5.7221 -5.7083 -5.7057 -5.6382 -5.6374 -1.4613 -1.4375 0.2383 0.2510 0.2641 0.2776 6.0285 6.0291 6.5695 6.5698 6.7990 6.8000 7.5116 7.5404 7.9070 7.9376 8.0494 8.0557 10.1368 10.1478 10.1511 10.1532 10.1821 10.1914 14.5027 14.5070 14.6214 14.6220 14.6467 14.6481 16.9692 17.0014 k =-0.5000 0.4987 0.3653 ( 2760 PWs) bands (ev): -46.0285 -46.0285 -22.7800 -22.7791 -22.1483 -22.1482 -22.1078 -22.1068 -14.2044 -14.2044 -5.7288 -5.7269 -5.7144 -5.7116 -5.6551 -5.6539 -1.4437 -1.4180 0.2612 0.2716 0.2861 0.3040 6.0402 6.0409 6.5692 6.5696 6.8407 6.8418 7.4884 7.5182 7.8858 7.9184 8.0427 8.0489 10.1137 10.1192 10.1249 10.1265 10.1748 10.1822 14.4817 14.4862 14.6004 14.6010 14.6394 14.6409 16.9662 16.9964 k =-0.5000 0.4987 0.3527 ( 2760 PWs) bands (ev): -46.0285 -46.0285 -22.7796 -22.7787 -22.1483 -22.1483 -22.1067 -22.1056 -14.2066 -14.2066 -5.7346 -5.7321 -5.7209 -5.7178 -5.6730 -5.6714 -1.4246 -1.3973 0.2852 0.2932 0.3106 0.3329 6.0511 6.0519 6.5689 6.5693 6.8871 6.8884 7.4614 7.4913 7.8659 7.8994 8.0351 8.0412 10.0864 10.0890 10.0947 10.0972 10.1706 10.1762 14.4598 14.4645 14.5782 14.5788 14.6318 14.6332 16.9598 16.9875 k =-0.5000 0.4987 0.3401 ( 2752 PWs) bands (ev): -46.0285 -46.0285 -22.7792 -22.7783 -22.1484 -22.1483 -22.1055 -22.1043 -14.2089 -14.2089 -5.7411 -5.7376 -5.7278 -5.7243 -5.6916 -5.6893 -1.4042 -1.3754 0.3099 0.3159 0.3378 0.3640 6.0612 6.0621 6.5686 6.5690 6.9379 6.9394 7.4306 7.4597 7.8477 7.8811 8.0268 8.0327 10.0567 10.0575 10.0629 10.0660 10.1673 10.1716 14.4371 14.4420 14.5549 14.5556 14.6237 14.6251 16.9489 16.9738 k =-0.5000 0.4987 0.3275 ( 2752 PWs) bands (ev): -46.0286 -46.0286 -22.7788 -22.7778 -22.1485 -22.1484 -22.1042 -22.1030 -14.2113 -14.2113 -5.7487 -5.7434 -5.7356 -5.7311 -5.7106 -5.7074 -1.3826 -1.3525 0.3351 0.3397 0.3677 0.3970 6.0702 6.0713 6.5683 6.5688 6.9930 6.9947 7.3960 7.4233 7.8315 7.8638 8.0175 8.0234 10.0248 10.0254 10.0302 10.0338 10.1643 10.1677 14.4139 14.4190 14.5310 14.5316 14.6152 14.6166 16.9322 16.9543 k =-0.5000 0.4987 0.3149 ( 2748 PWs) bands (ev): -46.0286 -46.0286 -22.7783 -22.7773 -22.1486 -22.1485 -22.1028 -22.1016 -14.2138 -14.2138 -5.7581 -5.7496 -5.7451 -5.7382 -5.7284 -5.7244 -1.3600 -1.3288 0.3609 0.3644 0.4000 0.4318 6.0782 6.0795 6.5680 6.5685 7.0515 7.0535 7.3577 7.3825 7.8172 7.8477 8.0075 8.0134 9.9911 9.9925 9.9976 10.0013 10.1614 10.1642 14.3904 14.3957 14.5064 14.5070 14.6064 14.6077 16.9085 16.9279 k =-0.5000 0.4987 0.3023 ( 2740 PWs) bands (ev): -46.0286 -46.0286 -22.7779 -22.7768 -22.1486 -22.1486 -22.1014 -22.1001 -14.2163 -14.2163 -5.7707 -5.7604 -5.7553 -5.7454 -5.7419 -5.7391 -1.3364 -1.3043 0.3873 0.3900 0.4344 0.4682 6.0853 6.0867 6.5677 6.5683 7.1123 7.1151 7.3170 7.3383 7.8048 7.8329 7.9967 8.0026 9.9566 9.9581 9.9657 9.9691 10.1585 10.1608 14.3667 14.3722 14.4814 14.4820 14.5972 14.5985 16.8770 16.8938 k =-0.5000 0.4987 0.2897 ( 2740 PWs) bands (ev): -46.0287 -46.0287 -22.7774 -22.7764 -22.1487 -22.1487 -22.1000 -22.0987 -14.2190 -14.2190 -5.7871 -5.7796 -5.7620 -5.7527 -5.7513 -5.7505 -1.3121 -1.2792 0.4142 0.4164 0.4706 0.5060 6.0913 6.0929 6.5675 6.5680 7.1705 7.1760 7.2781 7.2936 7.7942 7.8194 7.9854 7.9914 9.9215 9.9230 9.9343 9.9373 10.1556 10.1575 14.3429 14.3488 14.4560 14.4567 14.5878 14.5891 16.8371 16.8515 k =-0.5000 0.4987 0.2771 ( 2740 PWs) bands (ev): -46.0287 -46.0287 -22.7770 -22.7759 -22.1489 -22.1488 -22.0985 -22.0972 -14.2217 -14.2216 -5.8062 -5.8007 -5.7687 -5.7604 -5.7594 -5.7591 -1.2871 -1.2537 0.4416 0.4434 0.5084 0.5450 6.0964 6.0982 6.5672 6.5678 7.1914 7.2079 7.2755 7.2767 7.7853 7.8072 7.9738 7.9799 9.8863 9.8877 9.9035 9.9062 10.1527 10.1543 14.3194 14.3256 14.4306 14.4313 14.5782 14.5795 16.7888 16.8012 k =-0.5000 0.4987 0.2645 ( 2736 PWs) bands (ev): -46.0288 -46.0288 -22.7765 -22.7754 -22.1489 -22.1489 -22.0970 -22.0957 -14.2244 -14.2243 -5.8267 -5.8223 -5.7756 -5.7685 -5.7667 -5.7665 -1.2616 -1.2279 0.4694 0.4709 0.5475 0.5851 6.1007 6.1027 6.5669 6.5675 7.1528 7.1685 7.3292 7.3307 7.7780 7.7964 7.9624 7.9686 9.8512 9.8526 9.8735 9.8760 10.1497 10.1511 14.2963 14.3028 14.4052 14.4059 14.5684 14.5697 16.7323 16.7432 k =-0.5000 0.4987 0.2519 ( 2736 PWs) bands (ev): -46.0288 -46.0288 -22.7760 -22.7749 -22.1490 -22.1490 -22.0955 -22.0942 -14.2271 -14.2271 -5.8478 -5.8442 -5.7826 -5.7763 -5.7737 -5.7736 -1.2358 -1.2019 0.4974 0.4987 0.5877 0.6260 6.1043 6.1064 6.5667 6.5673 7.1012 7.1138 7.3943 7.3962 7.7724 7.7871 7.9519 7.9584 9.8166 9.8178 9.8445 9.8468 10.1468 10.1480 14.2736 14.2805 14.3799 14.3807 14.5586 14.5599 16.6684 16.6782 k =-0.5000 0.4987 0.2393 ( 2740 PWs) bands (ev): -46.0288 -46.0288 -22.7755 -22.7745 -22.1491 -22.1491 -22.0940 -22.0927 -14.2298 -14.2298 -5.8692 -5.8660 -5.7896 -5.7840 -5.7804 -5.7804 -1.2097 -1.1760 0.5255 0.5267 0.6288 0.6676 6.1072 6.1095 6.5665 6.5672 7.0460 7.0557 7.4582 7.4612 7.7688 7.7793 7.9438 7.9506 9.7825 9.7837 9.8166 9.8188 10.1439 10.1449 14.2517 14.2590 14.3549 14.3557 14.5487 14.5501 16.5981 16.6071 k =-0.5000 0.4987 0.2267 ( 2744 PWs) bands (ev): -46.0289 -46.0289 -22.7751 -22.7740 -22.1493 -22.1492 -22.0925 -22.0912 -14.2325 -14.2325 -5.8904 -5.8876 -5.7967 -5.7916 -5.7870 -5.7869 -1.1837 -1.1502 0.5537 0.5547 0.6706 0.7095 6.1095 6.1120 6.5663 6.5670 6.9888 6.9960 7.5166 7.5212 7.7672 7.7733 7.9408 7.9476 9.7494 9.7504 9.7900 9.7922 10.1411 10.1419 14.2307 14.2384 14.3304 14.3312 14.5389 14.5403 16.5225 16.5309 k =-0.5000 0.4987 0.2141 ( 2740 PWs) bands (ev): -46.0289 -46.0289 -22.7746 -22.7736 -22.1494 -22.1493 -22.0910 -22.0897 -14.2352 -14.2352 -5.9114 -5.9089 -5.8037 -5.7990 -5.7933 -5.7932 -1.1577 -1.1248 0.5816 0.5825 0.7127 0.7515 6.1113 6.1140 6.5661 6.5669 6.9305 6.9354 7.5649 7.5718 7.7670 7.7689 7.9471 7.9534 9.7172 9.7181 9.7649 9.7670 10.1382 10.1390 14.2107 14.2188 14.3064 14.3073 14.5292 14.5306 16.4427 16.4508 k =-0.5000 0.4987 0.2015 ( 2740 PWs) bands (ev): -46.0290 -46.0290 -22.7742 -22.7731 -22.1495 -22.1494 -22.0895 -22.0883 -14.2378 -14.2378 -5.9319 -5.9297 -5.8106 -5.8062 -5.7994 -5.7993 -1.1321 -1.0999 0.6091 0.6099 0.7550 0.7934 6.1127 6.1156 6.5660 6.5668 6.8718 6.8748 7.5995 7.6087 7.7648 7.7661 7.9678 7.9727 9.6863 9.6871 9.7412 9.7433 10.1355 10.1361 14.1919 14.2003 14.2830 14.2840 14.5197 14.5210 16.3598 16.3676 k =-0.5000 0.4987 0.1889 ( 2744 PWs) bands (ev): -46.0290 -46.0290 -22.7737 -22.7727 -22.1496 -22.1496 -22.0881 -22.0869 -14.2403 -14.2403 -5.9519 -5.9499 -5.8173 -5.8132 -5.8053 -5.8052 -1.1069 -1.0756 0.6362 0.6369 0.7972 0.8349 6.1137 6.1168 6.5658 6.5667 6.8132 6.8145 7.6202 7.6307 7.7590 7.7616 8.0055 8.0083 9.6568 9.6574 9.7191 9.7212 10.1328 10.1334 14.1743 14.1832 14.2604 14.2615 14.5104 14.5117 16.2748 16.2825 k =-0.5000 0.4987 0.1764 ( 2744 PWs) bands (ev): -46.0291 -46.0291 -22.7733 -22.7723 -22.1497 -22.1497 -22.0867 -22.0855 -14.2428 -14.2428 -5.9711 -5.9693 -5.8238 -5.8200 -5.8110 -5.8109 -1.0824 -1.0521 0.6625 0.6631 0.8389 0.8757 6.1144 6.1176 6.5656 6.5667 6.7551 6.7553 7.6304 7.6409 7.7499 7.7526 8.0574 8.0584 9.6286 9.6291 9.6986 9.7007 10.1303 10.1307 14.1582 14.1675 14.2388 14.2399 14.5013 14.5027 16.1887 16.1965 k =-0.5000 0.4987 0.1638 ( 2744 PWs) bands (ev): -46.0291 -46.0291 -22.7729 -22.7720 -22.1498 -22.1498 -22.0853 -22.0842 -14.2452 -14.2451 -5.9895 -5.9879 -5.8300 -5.8265 -5.8164 -5.8162 -1.0586 -1.0296 0.6879 0.6885 0.8799 0.9156 6.1148 6.1182 6.5654 6.5666 6.6972 6.6987 7.6338 7.6436 7.7377 7.7399 8.1180 8.1183 9.6021 9.6024 9.6797 9.6818 10.1278 10.1282 14.1437 14.1533 14.2181 14.2194 14.4927 14.4940 16.1026 16.1103 k =-0.5000 0.4987 0.1512 ( 2748 PWs) bands (ev): -46.0291 -46.0291 -22.7725 -22.7716 -22.1499 -22.1499 -22.0840 -22.0830 -14.2474 -14.2474 -6.0070 -6.0055 -5.8358 -5.8326 -5.8214 -5.8213 -1.0357 -1.0082 0.7123 0.7128 0.9199 0.9541 6.1149 6.1186 6.5648 6.5665 6.6413 6.6440 7.6333 7.6419 7.7233 7.7251 8.1828 8.1839 9.5772 9.5773 9.6624 9.6644 10.1255 10.1258 14.1308 14.1406 14.1986 14.2000 14.4844 14.4858 16.0174 16.0251 k =-0.5000 0.4987 0.1386 ( 2756 PWs) bands (ev): -46.0292 -46.0292 -22.7721 -22.7713 -22.1500 -22.1500 -22.0828 -22.0819 -14.2495 -14.2495 -6.0235 -6.0221 -5.8414 -5.8384 -5.8262 -5.8261 -1.0139 -0.9881 0.7355 0.7359 0.9585 0.9910 6.1149 6.1187 6.5622 6.5659 6.5883 6.5936 7.6305 7.6379 7.7076 7.7090 8.2493 8.2509 9.5539 9.5539 9.6466 9.6486 10.1233 10.1235 14.1195 14.1296 14.1803 14.1818 14.4766 14.4779 15.9339 15.9416 k =-0.5000 0.4987 0.1260 ( 2756 PWs) bands (ev): -46.0292 -46.0292 -22.7718 -22.7710 -22.1501 -22.1501 -22.0817 -22.0808 -14.2515 -14.2515 -6.0388 -6.0376 -5.8465 -5.8438 -5.8306 -5.8305 -0.9933 -0.9693 0.7573 0.7577 0.9954 1.0259 6.1146 6.1187 6.5353 6.5360 6.5676 6.5701 7.6264 7.6326 7.6915 7.6926 8.3154 8.3173 9.5322 9.5324 9.6323 9.6342 10.1212 10.1214 14.1099 14.1202 14.1633 14.1650 14.4693 14.4706 15.8533 15.8608 k =-0.5000 0.4987 0.1134 ( 2758 PWs) bands (ev): -46.0292 -46.0292 -22.7715 -22.7708 -22.1501 -22.1501 -22.0806 -22.0798 -14.2533 -14.2533 -6.0529 -6.0518 -5.8512 -5.8488 -5.8347 -5.8346 -0.9741 -0.9520 0.7775 0.7779 1.0303 1.0586 6.1142 6.1184 6.4890 6.4901 6.5673 6.5680 7.6216 7.6268 7.6755 7.6763 8.3794 8.3815 9.5124 9.5127 9.6194 9.6214 10.1193 10.1195 14.1019 14.1123 14.1478 14.1497 14.4625 14.4638 15.7763 15.7837 k =-0.5000 0.4987 0.1008 ( 2752 PWs) bands (ev): -46.0292 -46.0292 -22.7711 -22.7705 -22.1502 -22.1502 -22.0796 -22.0788 -14.2550 -14.2550 -6.0658 -6.0648 -5.8555 -5.8533 -5.8384 -5.8383 -0.9564 -0.9364 0.7961 0.7964 1.0629 1.0887 6.1137 6.1180 6.4455 6.4469 6.5673 6.5676 7.6166 7.6208 7.6602 7.6608 8.4401 8.4422 9.4943 9.4948 9.6080 9.6099 10.1176 10.1177 14.0955 14.1058 14.1339 14.1360 14.4563 14.4575 15.7040 15.7111 k =-0.5000 0.4987 0.0882 ( 2740 PWs) bands (ev): -46.0293 -46.0293 -22.7708 -22.7702 -22.1502 -22.1502 -22.0786 -22.0779 -14.2565 -14.2565 -6.0772 -6.0764 -5.8593 -5.8574 -5.8417 -5.8417 -0.9403 -0.9225 0.8129 0.8131 1.0927 1.1159 6.1130 6.1174 6.4062 6.4075 6.5674 6.5675 7.6116 7.6150 7.6458 7.6463 8.4963 8.4985 9.4781 9.4786 9.5980 9.5998 10.1161 10.1162 14.0904 14.1004 14.1218 14.1241 14.4508 14.4519 15.6373 15.6439 k =-0.5000 0.4987 0.0756 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7705 -22.7700 -22.1503 -22.1502 -22.0778 -22.0772 -14.2578 -14.2578 -6.0873 -6.0865 -5.8626 -5.8610 -5.8446 -5.8446 -0.9259 -0.9105 0.8277 0.8279 1.1196 1.1399 6.1123 6.1166 6.3715 6.3725 6.5675 6.5675 7.6069 7.6096 7.6328 7.6331 8.5473 8.5494 9.4638 9.4644 9.5894 9.5910 10.1147 10.1148 14.0863 14.0956 14.1120 14.1142 14.4459 14.4470 15.5771 15.5832 k =-0.5000 0.4987 0.0630 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7703 -22.7699 -22.1503 -22.1503 -22.0771 -22.0766 -14.2589 -14.2589 -6.0959 -6.0953 -5.8655 -5.8641 -5.8471 -5.8470 -0.9134 -0.9003 0.8404 0.8406 1.1432 1.1605 6.1115 6.1157 6.3417 6.3423 6.5675 6.5675 7.6026 7.6046 7.6214 7.6216 8.5922 8.5940 9.4515 9.4521 9.5821 9.5835 10.1136 10.1136 14.0829 14.0907 14.1050 14.1065 14.4418 14.4427 15.5243 15.5297 k =-0.5000 0.4987 0.0504 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7701 -22.7698 -22.1503 -22.1503 -22.0765 -22.0761 -14.2599 -14.2598 -6.1030 -6.1025 -5.8678 -5.8667 -5.8491 -5.8491 -0.9027 -0.8922 0.8509 0.8511 1.1633 1.1773 6.1107 6.1145 6.3170 6.3173 6.5676 6.5676 7.5989 7.6003 7.6119 7.6120 8.6301 8.6317 9.4412 9.4417 9.5761 9.5773 10.1126 10.1127 14.0796 14.0853 14.1009 14.1012 14.4384 14.4391 15.4798 15.4844 k =-0.5000 0.4987 0.0378 ( 2736 PWs) bands (ev): -46.0293 -46.0293 -22.7699 -22.7697 -22.1504 -22.1504 -22.0760 -22.0757 -14.2606 -14.2606 -6.1085 -6.1081 -5.8695 -5.8687 -5.8507 -5.8507 -0.8941 -0.8861 0.8592 0.8594 1.1796 1.1902 6.1101 6.1133 6.2977 6.2977 6.5677 6.5677 7.5957 7.5967 7.6044 7.6045 8.6605 8.6618 9.4330 9.4335 9.5715 9.5724 10.1119 10.1119 14.0766 14.0803 14.0982 14.0987 14.4357 14.4363 15.4445 15.4480 k =-0.5000 0.4987 0.0252 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7698 -22.7696 -22.1504 -22.1504 -22.0756 -22.0754 -14.2611 -14.2611 -6.1124 -6.1122 -5.8708 -5.8702 -5.8519 -5.8519 -0.8875 -0.8821 0.8652 0.8653 1.1918 1.1990 6.1098 6.1121 6.2837 6.2839 6.5677 6.5678 7.5932 7.5937 7.5992 7.5994 8.6828 8.6837 9.4271 9.4275 9.5682 9.5688 10.1113 10.1114 14.0741 14.0763 14.0968 14.0975 14.4338 14.4342 15.4189 15.4213 k =-0.5000 0.4987 0.0126 ( 2732 PWs) bands (ev): -46.0293 -46.0293 -22.7697 -22.7696 -22.1504 -22.1504 -22.0754 -22.0753 -14.2614 -14.2614 -6.1148 -6.1147 -5.8715 -5.8712 -5.8526 -5.8526 -0.8829 -0.8803 0.8688 0.8689 1.2000 1.2036 6.1098 6.1110 6.2754 6.2755 6.5678 6.5678 7.5914 7.5915 7.5964 7.5966 8.6964 8.6969 9.4236 9.4238 9.5663 9.5666 10.1110 10.1110 14.0726 14.0736 14.0963 14.0968 14.4327 14.4329 15.4036 15.4048 k =-0.5000 0.4987-0.0000 ( 2728 PWs) bands (ev): -46.0293 -46.0293 -22.7696 -22.7696 -22.1504 -22.1504 -22.0753 -22.0753 -14.2615 -14.2615 -6.1155 -6.1155 -5.8716 -5.8716 -5.8528 -5.8528 -0.8805 -0.8805 0.8701 0.8701 1.2039 1.2039 6.1102 6.1102 6.2727 6.2727 6.5678 6.5678 7.5907 7.5907 7.5956 7.5956 8.7012 8.7012 9.4225 9.4225 9.5658 9.5658 10.1109 10.1109 14.0724 14.0724 14.0964 14.0964 14.4324 14.4324 15.3988 15.3988 k = 0.0000 0.0000 0.5039 ( 2762 PWs) bands (ev): -46.0302 -46.0302 -22.7540 -22.7540 -22.1026 -22.1026 -22.0987 -22.0987 -14.3283 -14.3283 -6.7936 -6.7936 -5.8741 -5.8741 -5.4916 -5.4916 -0.7818 -0.7818 1.1249 1.1249 1.2543 1.2543 6.4313 6.4313 7.5796 7.5796 7.5995 7.5995 8.1247 8.1247 8.1627 8.1627 8.6898 8.6898 8.7845 8.7845 9.2333 9.2333 9.3546 9.3546 12.8461 12.8461 13.9888 13.9888 14.1107 14.1107 14.6947 14.6947 k =-0.0089 0.0089 0.5039 ( 2766 PWs) bands (ev): -46.0302 -46.0302 -22.7541 -22.7541 -22.1026 -22.1026 -22.0987 -22.0987 -14.3282 -14.3282 -6.7929 -6.7929 -5.8739 -5.8739 -5.4920 -5.4920 -0.7820 -0.7820 1.1248 1.1248 1.2537 1.2537 6.4310 6.4310 7.5799 7.5799 7.5992 7.5992 8.1186 8.1186 8.1585 8.1585 8.6945 8.6945 8.7902 8.7902 9.2306 9.2306 9.3531 9.3531 12.8481 12.8481 13.9889 13.9889 14.1108 14.1108 14.6978 14.6978 k =-0.0179 0.0178 0.5039 ( 2766 PWs) bands (ev): -46.0302 -46.0302 -22.7541 -22.7541 -22.1026 -22.1026 -22.0988 -22.0988 -14.3279 -14.3279 -6.7906 -6.7906 -5.8735 -5.8735 -5.4931 -5.4931 -0.7825 -0.7825 1.1244 1.1244 1.2518 1.2518 6.4299 6.4299 7.5807 7.5807 7.5984 7.5984 8.0992 8.0992 8.1482 8.1482 8.7080 8.7080 8.8065 8.8065 9.2226 9.2226 9.3486 9.3486 12.8542 12.8542 13.9893 13.9893 14.1110 14.1110 14.7072 14.7072 k =-0.0268 0.0267 0.5039 ( 2758 PWs) bands (ev): -46.0302 -46.0302 -22.7542 -22.7542 -22.1027 -22.1027 -22.0990 -22.0990 -14.3273 -14.3273 -6.7869 -6.7869 -5.8728 -5.8728 -5.4948 -5.4948 -0.7835 -0.7835 1.1237 1.1237 1.2488 1.2488 6.4282 6.4282 7.5820 7.5820 7.5972 7.5972 8.0664 8.0664 8.1351 8.1351 8.7287 8.7287 8.8320 8.8321 9.2093 9.2093 9.3412 9.3412 12.8641 12.8641 13.9899 13.9899 14.1114 14.1114 14.7227 14.7227 k =-0.0357 0.0356 0.5039 ( 2762 PWs) bands (ev): -46.0301 -46.0301 -22.7544 -22.7544 -22.1027 -22.1027 -22.0993 -22.0993 -14.3265 -14.3265 -6.7817 -6.7817 -5.8718 -5.8718 -5.4972 -5.4972 -0.7848 -0.7848 1.1226 1.1226 1.2446 1.2446 6.4259 6.4259 7.5835 7.5835 7.5956 7.5956 8.0228 8.0228 8.1201 8.1201 8.7551 8.7551 8.8648 8.8648 9.1908 9.1908 9.3311 9.3311 12.8779 12.8779 13.9909 13.9909 14.1119 14.1119 14.7442 14.7442 k =-0.0446 0.0445 0.5039 ( 2758 PWs) bands (ev): -46.0301 -46.0301 -22.7545 -22.7545 -22.1028 -22.1028 -22.0996 -22.0996 -14.3255 -14.3255 -6.7750 -6.7750 -5.8706 -5.8706 -5.5003 -5.5003 -0.7866 -0.7866 1.1209 1.1209 1.2395 1.2395 6.4229 6.4229 7.5847 7.5848 7.5942 7.5942 7.9717 7.9717 8.1037 8.1037 8.7859 8.7860 8.9025 8.9025 9.1673 9.1673 9.3185 9.3185 12.8955 12.8955 13.9922 13.9922 14.1127 14.1127 14.7717 14.7717 k =-0.0536 0.0534 0.5039 ( 2754 PWs) bands (ev): -46.0301 -46.0301 -22.7548 -22.7548 -22.1029 -22.1029 -22.1000 -22.1000 -14.3243 -14.3243 -6.7669 -6.7669 -5.8691 -5.8691 -5.5040 -5.5040 -0.7889 -0.7889 1.1183 1.1183 1.2337 1.2337 6.4194 6.4194 7.5844 7.5845 7.5939 7.5940 7.9154 7.9154 8.0861 8.0861 8.8205 8.8205 8.9433 8.9434 9.1391 9.1391 9.3037 9.3037 12.9168 12.9168 13.9939 13.9939 14.1137 14.1137 14.8048 14.8048 k =-0.0625 0.0623 0.5039 ( 2762 PWs) bands (ev): -46.0301 -46.0301 -22.7551 -22.7551 -22.1031 -22.1031 -22.1005 -22.1005 -14.3229 -14.3229 -6.7573 -6.7573 -5.8673 -5.8673 -5.5083 -5.5083 -0.7918 -0.7918 1.1147 1.1147 1.2273 1.2273 6.4153 6.4153 7.5820 7.5820 7.5953 7.5953 7.8558 7.8558 8.0679 8.0679 8.8581 8.8581 8.9859 8.9859 9.1063 9.1063 9.2871 9.2871 12.9415 12.9415 13.9960 13.9960 14.1151 14.1151 14.8435 14.8435 k =-0.0714 0.0712 0.5039 ( 2760 PWs) bands (ev): -46.0301 -46.0301 -22.7554 -22.7554 -22.1033 -22.1033 -22.1010 -22.1010 -14.3213 -14.3213 -6.7463 -6.7463 -5.8652 -5.8652 -5.5130 -5.5130 -0.7952 -0.7952 1.1096 1.1096 1.2207 1.2207 6.4108 6.4108 7.5780 7.5780 7.5975 7.5975 7.7942 7.7942 8.0494 8.0494 8.8982 8.8982 9.0290 9.0290 9.0695 9.0695 9.2690 9.2690 12.9695 12.9695 13.9987 13.9987 14.1168 14.1168 14.8873 14.8873 k =-0.0804 0.0801 0.5039 ( 2752 PWs) bands (ev): -46.0301 -46.0301 -22.7557 -22.7557 -22.1035 -22.1035 -22.1016 -22.1016 -14.3195 -14.3195 -6.7339 -6.7339 -5.8629 -5.8629 -5.5182 -5.5182 -0.7993 -0.7993 1.1027 1.1027 1.2140 1.2140 6.4059 6.4059 7.5730 7.5730 7.5997 7.5997 7.7317 7.7317 8.0310 8.0310 8.9400 8.9400 9.0281 9.0281 9.0733 9.0733 9.2500 9.2500 13.0006 13.0006 14.0020 14.0020 14.1189 14.1189 14.9361 14.9361 k =-0.0893 0.0891 0.5039 ( 2752 PWs) bands (ev): -46.0300 -46.0300 -22.7561 -22.7561 -22.1037 -22.1037 -22.1022 -22.1022 -14.3175 -14.3175 -6.7201 -6.7201 -5.8604 -5.8604 -5.5239 -5.5239 -0.8041 -0.8041 1.0939 1.0939 1.2076 1.2076 6.4006 6.4006 7.5670 7.5670 7.6015 7.6015 7.6693 7.6693 8.0130 8.0130 8.9731 8.9731 8.9945 8.9945 9.1159 9.1159 9.2305 9.2306 13.0347 13.0347 14.0059 14.0059 14.1214 14.1214 14.9895 14.9895 k =-0.0982 0.0980 0.5039 ( 2758 PWs) bands (ev): -46.0300 -46.0300 -22.7565 -22.7565 -22.1041 -22.1041 -22.1028 -22.1028 -14.3153 -14.3153 -6.7050 -6.7050 -5.8576 -5.8576 -5.5299 -5.5299 -0.8098 -0.8098 1.0827 1.0827 1.2015 1.2015 6.3950 6.3950 7.5594 7.5595 7.6015 7.6015 7.6092 7.6092 7.9957 7.9957 8.9328 8.9328 9.0323 9.0323 9.1578 9.1578 9.2113 9.2113 13.0714 13.0714 14.0106 14.0106 14.1245 14.1245 15.0473 15.0473 k =-0.1071 0.1069 0.5039 ( 2758 PWs) bands (ev): -46.0300 -46.0300 -22.7570 -22.7570 -22.1047 -22.1047 -22.1033 -22.1033 -14.3129 -14.3129 -6.6886 -6.6886 -5.8545 -5.8545 -5.5361 -5.5361 -0.8162 -0.8162 1.0694 1.0694 1.1957 1.1957 6.3892 6.3892 7.5386 7.5386 7.5604 7.5604 7.6030 7.6030 7.9791 7.9791 8.8822 8.8822 9.0786 9.0786 9.1880 9.1880 9.2034 9.2034 13.1106 13.1106 14.0160 14.0160 14.1282 14.1282 15.1090 15.1090 k =-0.1161 0.1158 0.5039 ( 2762 PWs) bands (ev): -46.0299 -46.0299 -22.7575 -22.7575 -22.1054 -22.1054 -22.1037 -22.1037 -14.3104 -14.3104 -6.6709 -6.6709 -5.8513 -5.8513 -5.5426 -5.5426 -0.8236 -0.8236 1.0538 1.0538 1.1899 1.1899 6.3833 6.3833 7.4839 7.4839 7.5478 7.5478 7.6017 7.6017 7.9635 7.9635 8.8287 8.8287 9.1260 9.1260 9.1728 9.1728 9.2409 9.2409 13.1520 13.1520 14.0222 14.0222 14.1326 14.1326 15.1745 15.1745 k =-0.1250 0.1247 0.5039 ( 2754 PWs) bands (ev): -46.0299 -46.0299 -22.7580 -22.7580 -22.1062 -22.1062 -22.1040 -22.1040 -14.3076 -14.3076 -6.6519 -6.6519 -5.8478 -5.8478 -5.5491 -5.5491 -0.8318 -0.8318 1.0362 1.0362 1.1840 1.1840 6.3772 6.3772 7.4276 7.4276 7.5382 7.5383 7.5987 7.5987 7.9489 7.9489 8.7730 8.7730 9.1565 9.1565 9.1742 9.1742 9.2798 9.2799 13.1954 13.1954 14.0293 14.0293 14.1377 14.1377 15.2434 15.2434 k =-0.1339 0.1336 0.5039 ( 2754 PWs) bands (ev): -46.0299 -46.0299 -22.7585 -22.7585 -22.1072 -22.1072 -22.1043 -22.1043 -14.3048 -14.3048 -6.6318 -6.6318 -5.8441 -5.8441 -5.5558 -5.5558 -0.8411 -0.8411 1.0167 1.0167 1.1777 1.1777 6.3711 6.3711 7.3737 7.3737 7.5282 7.5282 7.5938 7.5938 7.9352 7.9352 8.7156 8.7156 9.1423 9.1423 9.2227 9.2227 9.3179 9.3179 13.2405 13.2405 14.0372 14.0372 14.1436 14.1436 15.3152 15.3152 k =-0.1429 0.1425 0.5039 ( 2752 PWs) bands (ev): -46.0298 -46.0298 -22.7591 -22.7591 -22.1082 -22.1082 -22.1046 -22.1046 -14.3018 -14.3018 -6.6105 -6.6105 -5.8402 -5.8402 -5.5625 -5.5625 -0.8513 -0.8513 0.9956 0.9956 1.1705 1.1705 6.3651 6.3651 7.3230 7.3230 7.5172 7.5172 7.5866 7.5866 7.9226 7.9226 8.6570 8.6570 9.1305 9.1305 9.2714 9.2714 9.3549 9.3549 13.2872 13.2872 14.0460 14.0460 14.1504 14.1504 15.3898 15.3898 k =-0.1518 0.1514 0.5039 ( 2756 PWs) bands (ev): -46.0298 -46.0298 -22.7598 -22.7598 -22.1093 -22.1093 -22.1049 -22.1049 -14.2987 -14.2987 -6.5881 -6.5881 -5.8361 -5.8361 -5.5690 -5.5690 -0.8626 -0.8626 0.9730 0.9730 1.1623 1.1623 6.3590 6.3590 7.2758 7.2758 7.5052 7.5052 7.5769 7.5769 7.9111 7.9111 8.5977 8.5977 9.1218 9.1218 9.3199 9.3199 9.3910 9.3910 13.3352 13.3352 14.0558 14.0558 14.1580 14.1580 15.4668 15.4668 k =-0.1607 0.1603 0.5039 ( 2754 PWs) bands (ev): -46.0297 -46.0297 -22.7604 -22.7604 -22.1105 -22.1105 -22.1052 -22.1052 -14.2954 -14.2954 -6.5647 -6.5647 -5.8318 -5.8318 -5.5755 -5.5755 -0.8749 -0.8749 0.9490 0.9490 1.1529 1.1529 6.3531 6.3531 7.2327 7.2327 7.4919 7.4919 7.5644 7.5645 7.9004 7.9004 8.5383 8.5383 9.1165 9.1165 9.3679 9.3680 9.4263 9.4263 13.3843 13.3843 14.0664 14.0664 14.1666 14.1666 15.5457 15.5457 k =-0.1696 0.1692 0.5039 ( 2754 PWs) bands (ev): -46.0297 -46.0297 -22.7611 -22.7611 -22.1116 -22.1116 -22.1055 -22.1055 -14.2920 -14.2920 -6.5402 -6.5402 -5.8274 -5.8274 -5.5817 -5.5817 -0.8883 -0.8883 0.9239 0.9239 1.1418 1.1418 6.3473 6.3473 7.1940 7.1940 7.4772 7.4772 7.5491 7.5491 7.8907 7.8907 8.4794 8.4794 9.1149 9.1149 9.4151 9.4151 9.4611 9.4611 13.4343 13.4343 14.0780 14.0780 14.1762 14.1762 15.6264 15.6264 k =-0.1786 0.1781 0.5039 ( 2754 PWs) bands (ev): -46.0296 -46.0296 -22.7617 -22.7617 -22.1129 -22.1129 -22.1058 -22.1058 -14.2886 -14.2886 -6.5149 -6.5149 -5.8228 -5.8228 -5.5877 -5.5877 -0.9027 -0.9027 0.8978 0.8978 1.1290 1.1290 6.3416 6.3416 7.1599 7.1599 7.4609 7.4609 7.5309 7.5309 7.8817 7.8817 8.4215 8.4215 9.1172 9.1172 9.4605 9.4605 9.4961 9.4962 13.4849 13.4849 14.0904 14.0904 14.1867 14.1867 15.7085 15.7085 k =-0.1875 0.1870 0.5039 ( 2754 PWs) bands (ev): -46.0296 -46.0296 -22.7625 -22.7625 -22.1141 -22.1141 -22.1060 -22.1060 -14.2850 -14.2850 -6.4886 -6.4886 -5.8181 -5.8181 -5.5933 -5.5933 -0.9181 -0.9181 0.8708 0.8708 1.1143 1.1143 6.3360 6.3360 7.1307 7.1307 7.4428 7.4428 7.5098 7.5098 7.8735 7.8735 8.3652 8.3652 9.1235 9.1235 9.5026 9.5027 9.5328 9.5329 13.5359 13.5359 14.1038 14.1038 14.1983 14.1983 15.7916 15.7916 k =-0.1964 0.1959 0.5039 ( 2754 PWs) bands (ev): -46.0295 -46.0295 -22.7632 -22.7632 -22.1154 -22.1154 -22.1064 -22.1064 -14.2814 -14.2814 -6.4616 -6.4616 -5.8132 -5.8132 -5.5986 -5.5986 -0.9345 -0.9345 0.8430 0.8430 1.0975 1.0975 6.3306 6.3306 7.1067 7.1067 7.4227 7.4227 7.4858 7.4858 7.8658 7.8658 8.3114 8.3114 9.1339 9.1339 9.5401 9.5401 9.5726 9.5727 13.5872 13.5872 14.1179 14.1179 14.2109 14.2109 15.8755 15.8755 k =-0.2054 0.2048 0.5039 ( 2754 PWs) bands (ev): -46.0295 -46.0295 -22.7639 -22.7639 -22.1167 -22.1167 -22.1067 -22.1067 -14.2777 -14.2777 -6.4338 -6.4338 -5.8082 -5.8082 -5.6034 -5.6034 -0.9518 -0.9518 0.8146 0.8146 1.0785 1.0785 6.3253 6.3253 7.0878 7.0878 7.4002 7.4002 7.4591 7.4591 7.8586 7.8586 8.2606 8.2606 9.1483 9.1484 9.5735 9.5735 9.6147 9.6147 13.6386 13.6386 14.1329 14.1329 14.2246 14.2246 15.9598 15.9598 k =-0.2143 0.2137 0.5039 ( 2750 PWs) bands (ev): -46.0294 -46.0294 -22.7646 -22.7646 -22.1181 -22.1181 -22.1070 -22.1070 -14.2740 -14.2740 -6.4053 -6.4053 -5.8031 -5.8031 -5.6078 -5.6078 -0.9701 -0.9701 0.7857 0.7857 1.0573 1.0573 6.3201 6.3201 7.0743 7.0743 7.3752 7.3752 7.4299 7.4299 7.8516 7.8516 8.2135 8.2135 9.1667 9.1667 9.6045 9.6046 9.6575 9.6575 13.6899 13.6899 14.1487 14.1487 14.2393 14.2393 16.0441 16.0441 k =-0.2232 0.2226 0.5039 ( 2746 PWs) bands (ev): -46.0294 -46.0294 -22.7654 -22.7654 -22.1194 -22.1194 -22.1073 -22.1073 -14.2702 -14.2702 -6.3762 -6.3762 -5.7980 -5.7980 -5.6117 -5.6117 -0.9892 -0.9892 0.7563 0.7563 1.0338 1.0338 6.3150 6.3150 7.0661 7.0661 7.3475 7.3475 7.3985 7.3985 7.8447 7.8447 8.1708 8.1708 9.1887 9.1887 9.6341 9.6342 9.6998 9.6998 13.7409 13.7409 14.1652 14.1652 14.2549 14.2549 16.1281 16.1281 k =-0.2321 0.2315 0.5039 ( 2750 PWs) bands (ev): -46.0293 -46.0293 -22.7662 -22.7662 -22.1208 -22.1208 -22.1076 -22.1076 -14.2664 -14.2664 -6.3466 -6.3466 -5.7927 -5.7927 -5.6150 -5.6150 -1.0091 -1.0091 0.7266 0.7266 1.0081 1.0081 6.3098 6.3098 7.0631 7.0631 7.3171 7.3171 7.3652 7.3652 7.8378 7.8378 8.1330 8.1330 9.2142 9.2142 9.6628 9.6628 9.7413 9.7413 13.7916 13.7916 14.1823 14.1823 14.2715 14.2715 16.2114 16.2114 k =-0.2411 0.2404 0.5039 ( 2748 PWs) bands (ev): -46.0293 -46.0293 -22.7669 -22.7669 -22.1221 -22.1221 -22.1079 -22.1079 -14.2625 -14.2625 -6.3166 -6.3166 -5.7874 -5.7874 -5.6178 -5.6178 -1.0298 -1.0298 0.6968 0.6968 0.9802 0.9802 6.3045 6.3045 7.0651 7.0651 7.2839 7.2839 7.3301 7.3301 7.8309 7.8309 8.1003 8.1003 9.2430 9.2430 9.6908 9.6908 9.7817 9.7817 13.8417 13.8417 14.2001 14.2001 14.2890 14.2890 16.2936 16.2936 k =-0.2500 0.2493 0.5039 ( 2744 PWs) bands (ev): -46.0292 -46.0292 -22.7677 -22.7677 -22.1235 -22.1235 -22.1082 -22.1082 -14.2587 -14.2587 -6.2862 -6.2862 -5.7821 -5.7821 -5.6199 -5.6199 -1.0512 -1.0512 0.6668 0.6668 0.9502 0.9502 6.2991 6.2991 7.0719 7.0719 7.2482 7.2483 7.2937 7.2937 7.8238 7.8238 8.0729 8.0729 9.2746 9.2746 9.7182 9.7182 9.8207 9.8207 13.8911 13.8911 14.2184 14.2184 14.3073 14.3073 16.3744 16.3744 k =-0.2589 0.2582 0.5039 ( 2748 PWs) bands (ev): -46.0292 -46.0292 -22.7685 -22.7685 -22.1248 -22.1248 -22.1086 -22.1086 -14.2549 -14.2549 -6.2555 -6.2555 -5.7768 -5.7768 -5.6215 -5.6215 -1.0732 -1.0732 0.6368 0.6368 0.9183 0.9183 6.2933 6.2933 7.0829 7.0829 7.2108 7.2108 7.2563 7.2563 7.8169 7.8169 8.0508 8.0508 9.3089 9.3089 9.7452 9.7452 9.8584 9.8584 13.9397 13.9397 14.2373 14.2373 14.3263 14.3263 16.4532 16.4532 k =-0.2679 0.2672 0.5039 ( 2752 PWs) bands (ev): -46.0291 -46.0291 -22.7693 -22.7693 -22.1262 -22.1262 -22.1089 -22.1089 -14.2511 -14.2511 -6.2247 -6.2247 -5.7714 -5.7714 -5.6225 -5.6225 -1.0957 -1.0957 0.6070 0.6070 0.8846 0.8846 6.2872 6.2872 7.0965 7.0965 7.1733 7.1733 7.2181 7.2181 7.8102 7.8102 8.0334 8.0334 9.3456 9.3456 9.7719 9.7719 9.8946 9.8946 13.9873 13.9873 14.2565 14.2565 14.3460 14.3460 16.5297 16.5297 k =-0.2768 0.2761 0.5039 ( 2742 PWs) bands (ev): -46.0291 -46.0291 -22.7700 -22.7700 -22.1276 -22.1276 -22.1092 -22.1092 -14.2473 -14.2473 -6.1937 -6.1937 -5.7661 -5.7661 -5.6229 -5.6229 -1.1187 -1.1187 0.5773 0.5773 0.8492 0.8492 6.2806 6.2806 7.1024 7.1024 7.1463 7.1463 7.1793 7.1794 7.8041 7.8041 8.0203 8.0203 9.3842 9.3842 9.7983 9.7983 9.9292 9.9292 14.0340 14.0340 14.2760 14.2760 14.3663 14.3663 16.6032 16.6032 k =-0.2857 0.2850 0.5039 ( 2738 PWs) bands (ev): -46.0290 -46.0290 -22.7708 -22.7708 -22.1289 -22.1289 -22.1095 -22.1095 -14.2436 -14.2436 -6.1628 -6.1628 -5.7608 -5.7608 -5.6227 -5.6227 -1.1421 -1.1421 0.5480 0.5480 0.8125 0.8125 6.2733 6.2733 7.0753 7.0753 7.1404 7.1404 7.1551 7.1551 7.7990 7.7990 8.0108 8.0108 9.4245 9.4245 9.8246 9.8246 9.9623 9.9623 14.0796 14.0796 14.2958 14.2958 14.3871 14.3871 16.6731 16.6731 k =-0.2946 0.2939 0.5039 ( 2742 PWs) bands (ev): -46.0290 -46.0290 -22.7715 -22.7715 -22.1302 -22.1302 -22.1098 -22.1098 -14.2399 -14.2399 -6.1320 -6.1320 -5.7555 -5.7555 -5.6219 -5.6219 -1.1657 -1.1657 0.5190 0.5190 0.7746 0.7746 6.2651 6.2651 7.0356 7.0356 7.1015 7.1015 7.1795 7.1795 7.7950 7.7950 8.0043 8.0043 9.4663 9.4663 9.8506 9.8506 9.9938 9.9938 14.1240 14.1240 14.3158 14.3158 14.4082 14.4082 16.7389 16.7389 k =-0.3036 0.3028 0.5039 ( 2742 PWs) bands (ev): -46.0289 -46.0289 -22.7723 -22.7723 -22.1315 -22.1315 -22.1101 -22.1101 -14.2363 -14.2363 -6.1014 -6.1014 -5.7503 -5.7503 -5.6205 -5.6205 -1.1896 -1.1896 0.4905 0.4905 0.7359 0.7359 6.2560 6.2560 6.9944 6.9944 7.0629 7.0629 7.2086 7.2086 7.7926 7.7926 8.0004 8.0004 9.5091 9.5091 9.8766 9.8766 10.0237 10.0237 14.1671 14.1671 14.3359 14.3359 14.4296 14.4296 16.7998 16.7998 k =-0.3125 0.3117 0.5039 ( 2754 PWs) bands (ev): -46.0289 -46.0289 -22.7731 -22.7731 -22.1328 -22.1328 -22.1105 -22.1105 -14.2328 -14.2328 -6.0712 -6.0712 -5.7452 -5.7452 -5.6186 -5.6186 -1.2135 -1.2135 0.4626 0.4626 0.6965 0.6965 6.2457 6.2458 6.9537 6.9537 7.0248 7.0248 7.2403 7.2403 7.7918 7.7918 7.9984 7.9984 9.5528 9.5528 9.9025 9.9025 10.0520 10.0520 14.2089 14.2089 14.3560 14.3560 14.4511 14.4511 16.8551 16.8551 k =-0.3214 0.3206 0.5039 ( 2750 PWs) bands (ev): -46.0288 -46.0288 -22.7738 -22.7738 -22.1341 -22.1341 -22.1107 -22.1107 -14.2294 -14.2294 -6.0413 -6.0413 -5.7402 -5.7402 -5.6163 -5.6163 -1.2374 -1.2374 0.4354 0.4354 0.6567 0.6567 6.2342 6.2342 6.9144 6.9144 6.9873 6.9873 7.2737 7.2737 7.7930 7.7930 7.9979 7.9979 9.5969 9.5969 9.9284 9.9284 10.0787 10.0787 14.2493 14.2493 14.3760 14.3760 14.4726 14.4726 16.9039 16.9039 k =-0.3304 0.3295 0.5039 ( 2742 PWs) bands (ev): -46.0288 -46.0288 -22.7744 -22.7744 -22.1352 -22.1352 -22.1110 -22.1110 -14.2261 -14.2261 -6.0120 -6.0120 -5.7353 -5.7352 -5.6134 -5.6134 -1.2613 -1.2613 0.4089 0.4089 0.6169 0.6169 6.2213 6.2213 6.8771 6.8771 6.9507 6.9507 7.3080 7.3080 7.7963 7.7963 7.9988 7.9988 9.6413 9.6413 9.9543 9.9543 10.1038 10.1038 14.2882 14.2882 14.3958 14.3958 14.4940 14.4940 16.9457 16.9457 k =-0.3393 0.3384 0.5039 ( 2738 PWs) bands (ev): -46.0287 -46.0287 -22.7751 -22.7751 -22.1364 -22.1364 -22.1112 -22.1112 -14.2228 -14.2228 -5.9833 -5.9833 -5.7305 -5.7305 -5.6101 -5.6101 -1.2849 -1.2849 0.3832 0.3832 0.5773 0.5773 6.2069 6.2069 6.8422 6.8423 6.9152 6.9152 7.3424 7.3424 7.8020 7.8020 8.0006 8.0006 9.6856 9.6856 9.9801 9.9801 10.1273 10.1273 14.3255 14.3255 14.4153 14.4153 14.5152 14.5152 16.9797 16.9797 k =-0.3482 0.3473 0.5039 ( 2742 PWs) bands (ev): -46.0287 -46.0287 -22.7758 -22.7758 -22.1375 -22.1375 -22.1115 -22.1115 -14.2197 -14.2197 -5.9554 -5.9554 -5.7258 -5.7258 -5.6065 -5.6065 -1.3081 -1.3081 0.3584 0.3584 0.5381 0.5381 6.1910 6.1910 6.8102 6.8102 6.8808 6.8808 7.3762 7.3762 7.8101 7.8101 8.0032 8.0032 9.7296 9.7296 10.0059 10.0059 10.1493 10.1494 14.3613 14.3613 14.4345 14.4345 14.5360 14.5360 17.0056 17.0056 k =-0.3571 0.3562 0.5039 ( 2742 PWs) bands (ev): -46.0286 -46.0286 -22.7764 -22.7764 -22.1386 -22.1386 -22.1118 -22.1118 -14.2168 -14.2168 -5.9283 -5.9283 -5.7213 -5.7213 -5.6026 -5.6026 -1.3310 -1.3310 0.3346 0.3346 0.4998 0.4998 6.1738 6.1738 6.7810 6.7810 6.8477 6.8477 7.4086 7.4086 7.8208 7.8208 8.0064 8.0064 9.7730 9.7730 10.0315 10.0315 10.1699 10.1699 14.3955 14.3955 14.4533 14.4533 14.5563 14.5563 17.0234 17.0234 k =-0.3661 0.3651 0.5039 ( 2748 PWs) bands (ev): -46.0286 -46.0286 -22.7770 -22.7770 -22.1397 -22.1397 -22.1120 -22.1120 -14.2139 -14.2139 -5.9022 -5.9022 -5.7170 -5.7170 -5.5984 -5.5984 -1.3532 -1.3532 0.3118 0.3118 0.4624 0.4624 6.1554 6.1554 6.7549 6.7549 6.8161 6.8161 7.4389 7.4389 7.8342 7.8342 8.0101 8.0101 9.8154 9.8154 10.0570 10.0570 10.1889 10.1889 14.4279 14.4279 14.4715 14.4715 14.5760 14.5760 17.0333 17.0333 k =-0.3750 0.3740 0.5039 ( 2748 PWs) bands (ev): -46.0286 -46.0286 -22.7776 -22.7776 -22.1407 -22.1407 -22.1122 -22.1122 -14.2113 -14.2113 -5.8772 -5.8772 -5.7128 -5.7128 -5.5941 -5.5941 -1.3748 -1.3748 0.2902 0.2902 0.4263 0.4263 6.1359 6.1359 6.7319 6.7319 6.7860 6.7860 7.4667 7.4667 7.8504 7.8504 8.0140 8.0140 9.8567 9.8567 10.0822 10.0822 10.2065 10.2065 14.4584 14.4584 14.4892 14.4892 14.5950 14.5951 17.0359 17.0359 k =-0.3839 0.3829 0.5039 ( 2756 PWs) bands (ev): -46.0285 -46.0285 -22.7782 -22.7782 -22.1416 -22.1416 -22.1125 -22.1125 -14.2087 -14.2087 -5.8535 -5.8535 -5.7089 -5.7089 -5.5896 -5.5896 -1.3956 -1.3956 0.2696 0.2696 0.3917 0.3917 6.1158 6.1158 6.7117 6.7117 6.7576 6.7576 7.4915 7.4915 7.8690 7.8690 8.0181 8.0181 9.8966 9.8966 10.1070 10.1070 10.2227 10.2227 14.4870 14.4870 14.5065 14.5065 14.6132 14.6132 17.0324 17.0324 k =-0.3929 0.3918 0.5039 ( 2748 PWs) bands (ev): -46.0285 -46.0285 -22.7786 -22.7786 -22.1424 -22.1424 -22.1127 -22.1127 -14.2063 -14.2063 -5.8310 -5.8310 -5.7051 -5.7051 -5.5851 -5.5851 -1.4155 -1.4155 0.2503 0.2503 0.3588 0.3588 6.0953 6.0953 6.6943 6.6943 6.7310 6.7310 7.5132 7.5132 7.8897 7.8897 8.0223 8.0223 9.9347 9.9347 10.1314 10.1314 10.2375 10.2375 14.5126 14.5126 14.5239 14.5239 14.6305 14.6305 17.0237 17.0237 k =-0.4018 0.4007 0.5039 ( 2748 PWs) bands (ev): -46.0284 -46.0284 -22.7791 -22.7791 -22.1432 -22.1432 -22.1129 -22.1129 -14.2041 -14.2041 -5.8099 -5.8099 -5.7016 -5.7016 -5.5806 -5.5806 -1.4344 -1.4344 0.2322 0.2322 0.3280 0.3280 6.0749 6.0749 6.6794 6.6794 6.7062 6.7062 7.5319 7.5319 7.9119 7.9119 8.0265 8.0265 9.9709 9.9709 10.1550 10.1550 10.2510 10.2510 14.5329 14.5329 14.5439 14.5439 14.6468 14.6468 17.0112 17.0112 k =-0.4107 0.4096 0.5039 ( 2752 PWs) bands (ev): -46.0284 -46.0284 -22.7796 -22.7796 -22.1440 -22.1440 -22.1130 -22.1130 -14.2021 -14.2021 -5.7903 -5.7903 -5.6983 -5.6983 -5.5762 -5.5762 -1.4520 -1.4520 0.2154 0.2154 0.2992 0.2992 6.0549 6.0549 6.6667 6.6667 6.6833 6.6833 7.5477 7.5477 7.9350 7.9350 8.0306 8.0306 10.0049 10.0049 10.1777 10.1777 10.2632 10.2632 14.5484 14.5484 14.5658 14.5658 14.6619 14.6619 16.9960 16.9960 k =-0.4196 0.4185 0.5039 ( 2748 PWs) bands (ev): -46.0284 -46.0284 -22.7800 -22.7800 -22.1447 -22.1447 -22.1132 -22.1132 -14.2002 -14.2002 -5.7724 -5.7724 -5.6952 -5.6952 -5.5719 -5.5719 -1.4685 -1.4685 0.1998 0.1998 0.2729 0.2729 6.0357 6.0357 6.6559 6.6559 6.6624 6.6624 7.5610 7.5610 7.9582 7.9582 8.0345 8.0345 10.0365 10.0365 10.1994 10.1994 10.2742 10.2742 14.5618 14.5618 14.5866 14.5866 14.6759 14.6759 16.9793 16.9793 k =-0.4286 0.4274 0.5039 ( 2752 PWs) bands (ev): -46.0284 -46.0284 -22.7803 -22.7803 -22.1453 -22.1453 -22.1133 -22.1133 -14.1985 -14.1985 -5.7562 -5.7562 -5.6923 -5.6923 -5.5679 -5.5679 -1.4835 -1.4835 0.1856 0.1856 0.2491 0.2491 6.0176 6.0176 6.6433 6.6434 6.6471 6.6471 7.5721 7.5721 7.9808 7.9808 8.0383 8.0383 10.0654 10.0654 10.2196 10.2196 10.2839 10.2839 14.5738 14.5738 14.6057 14.6057 14.6885 14.6885 16.9619 16.9619 k =-0.4375 0.4363 0.5039 ( 2760 PWs) bands (ev): -46.0284 -46.0284 -22.7807 -22.7807 -22.1459 -22.1459 -22.1135 -22.1135 -14.1970 -14.1970 -5.7418 -5.7418 -5.6895 -5.6895 -5.5642 -5.5642 -1.4970 -1.4970 0.1726 0.1726 0.2281 0.2281 6.0009 6.0009 6.6266 6.6266 6.6396 6.6396 7.5812 7.5812 8.0022 8.0022 8.0418 8.0418 10.0915 10.0915 10.2383 10.2383 10.2925 10.2925 14.5845 14.5845 14.6228 14.6228 14.6999 14.6999 16.9448 16.9448 k =-0.4464 0.4453 0.5039 ( 2776 PWs) bands (ev): -46.0283 -46.0283 -22.7810 -22.7810 -22.1465 -22.1465 -22.1136 -22.1136 -14.1957 -14.1957 -5.7294 -5.7294 -5.6870 -5.6870 -5.5608 -5.5608 -1.5090 -1.5090 0.1611 0.1611 0.2099 0.2099 5.9860 5.9860 6.6120 6.6120 6.6335 6.6335 7.5887 7.5887 8.0216 8.0216 8.0452 8.0452 10.1145 10.1145 10.2550 10.2550 10.2999 10.2999 14.5939 14.5939 14.6378 14.6378 14.7099 14.7099 16.9287 16.9287 k =-0.4554 0.4542 0.5039 ( 2788 PWs) bands (ev): -46.0283 -46.0283 -22.7813 -22.7813 -22.1469 -22.1469 -22.1138 -22.1138 -14.1946 -14.1946 -5.7191 -5.7191 -5.6845 -5.6845 -5.5579 -5.5579 -1.5192 -1.5192 0.1509 0.1509 0.1947 0.1947 5.9730 5.9730 6.5996 6.5996 6.6287 6.6287 7.5947 7.5947 8.0379 8.0379 8.0490 8.0490 10.1342 10.1342 10.2696 10.2696 10.3062 10.3062 14.6018 14.6018 14.6506 14.6506 14.7184 14.7184 16.9141 16.9141 k =-0.4643 0.4631 0.5039 ( 2792 PWs) bands (ev): -46.0283 -46.0283 -22.7816 -22.7816 -22.1473 -22.1473 -22.1139 -22.1139 -14.1937 -14.1937 -5.7109 -5.7109 -5.6822 -5.6822 -5.5554 -5.5554 -1.5278 -1.5278 0.1422 0.1422 0.1825 0.1825 5.9621 5.9621 6.5893 6.5893 6.6248 6.6248 7.5994 7.5994 8.0470 8.0470 8.0568 8.0568 10.1506 10.1506 10.2819 10.2819 10.3115 10.3115 14.6084 14.6084 14.6612 14.6612 14.7254 14.7254 16.9015 16.9015 k =-0.4732 0.4720 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7818 -22.7818 -22.1475 -22.1475 -22.1140 -22.1140 -14.1930 -14.1930 -5.7048 -5.7048 -5.6800 -5.6800 -5.5534 -5.5534 -1.5345 -1.5345 0.1351 0.1351 0.1731 0.1731 5.9534 5.9534 6.5814 6.5814 6.6219 6.6220 7.6029 7.6029 8.0500 8.0500 8.0674 8.0674 10.1635 10.1635 10.2915 10.2915 10.3157 10.3157 14.6136 14.6136 14.6695 14.6695 14.7309 14.7309 16.8913 16.8913 k =-0.4821 0.4809 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7819 -22.1477 -22.1477 -22.1141 -22.1141 -14.1925 -14.1925 -5.7007 -5.7007 -5.6782 -5.6782 -5.5519 -5.5519 -1.5393 -1.5393 0.1299 0.1299 0.1666 0.1666 5.9472 5.9472 6.5756 6.5756 6.6200 6.6200 7.6054 7.6054 8.0516 8.0516 8.0756 8.0756 10.1727 10.1727 10.2984 10.2984 10.3188 10.3188 14.6173 14.6173 14.6754 14.6754 14.7349 14.7349 16.8839 16.8839 k =-0.4911 0.4898 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7819 -22.7819 -22.1478 -22.1478 -22.1141 -22.1141 -14.1922 -14.1922 -5.6984 -5.6984 -5.6769 -5.6769 -5.5510 -5.5510 -1.5422 -1.5422 0.1267 0.1267 0.1627 0.1627 5.9434 5.9434 6.5722 6.5722 6.6188 6.6188 7.6069 7.6069 8.0525 8.0525 8.0807 8.0807 10.1783 10.1783 10.3025 10.3025 10.3207 10.3207 14.6195 14.6195 14.6790 14.6790 14.7372 14.7372 16.8793 16.8793 k =-0.5000 0.4987 0.5039 ( 2800 PWs) bands (ev): -46.0283 -46.0283 -22.7820 -22.7820 -22.1479 -22.1479 -22.1141 -22.1141 -14.1921 -14.1921 -5.6977 -5.6977 -5.6765 -5.6765 -5.5508 -5.5508 -1.5432 -1.5432 0.1256 0.1256 0.1615 0.1615 5.9421 5.9421 6.5711 6.5711 6.6184 6.6184 7.6074 7.6074 8.0528 8.0528 8.0824 8.0824 10.1802 10.1802 10.3039 10.3039 10.3214 10.3214 14.6203 14.6203 14.6801 14.6801 14.7380 14.7380 16.8778 16.8778 Writing output data file BaTiO3.save init_run : 2.74s CPU 13.21s WALL ( 1 calls) electrons : 758.66s CPU 767.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 758.63s CPU 767.07s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.01s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.64s WALL ( 1 calls) newd : 0.41s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 476 calls) cegterg : 726.18s CPU 731.72s WALL ( 1299 calls) Called by sum_band: Called by *egterg: h_psi : 268.81s CPU 281.01s WALL ( 22357 calls) s_psi : 30.92s CPU 31.59s WALL ( 22357 calls) g_psi : 0.61s CPU 0.72s WALL ( 20582 calls) cdiaghg : 316.79s CPU 311.47s WALL ( 21058 calls) cegterg:over : 63.57s CPU 59.90s WALL ( 20582 calls) cegterg:upda : 7.63s CPU 12.01s WALL ( 20582 calls) cegterg:last : 8.18s CPU 9.39s WALL ( 3225 calls) Called by h_psi: h_psi:vloc : 208.32s CPU 219.02s WALL ( 22357 calls) h_psi:vnl : 60.26s CPU 61.20s WALL ( 22357 calls) add_vuspsi : 18.41s CPU 22.99s WALL ( 22357 calls) General routines calbec : 41.77s CPU 38.08s WALL ( 22357 calls) fft : 0.13s CPU 1.24s WALL ( 19 calls) ffts : 0.08s CPU 0.09s WALL ( 4 calls) fftw : 194.72s CPU 200.56s WALL ( 1795872 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 1.73s WALL ( 952 calls) Parallel routines fft_scatter : 139.38s CPU 142.00s WALL ( 1795895 calls) PWSCF : 13m40.94s CPU 15m29.78s WALL This run was terminated on: 16:17:56 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=