Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 1:42 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 455 76 Max 55 20 7 2113 464 80 Sum 2625 949 293 101233 22035 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5926 a.u. unit-cell volume = 434.1687 (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)= 7.592579 celldm(2)= 1.000000 celldm(3)= 0.991956 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.002904 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.002904 0.999996 0.000000 ) a(3) = ( 0.000000 0.000000 0.991956 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.002904 -0.000000 ) b(2) = ( 0.000000 1.000004 -0.000000 ) b(3) = ( 0.000000 0.000000 1.008109 ) 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) = ( 0.0089027 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178054 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267082 0.0267858 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356109 0.0357144 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445136 0.0446431 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0534163 0.0535717 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0623190 0.0625003 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712218 0.0714289 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0801245 0.0803575 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890272 0.0892861 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979299 0.0982147 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068326 0.1071433 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1157354 0.1160719 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246381 0.1250005 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1335408 0.1339291 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1424435 0.1428577 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1513462 0.1517864 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1602489 0.1607150 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1691517 0.1696436 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1780544 0.1785722 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1869571 0.1875008 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1958598 0.1964294 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2047625 0.2053580 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2136653 0.2142866 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2225680 0.2232152 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2314707 0.2321438 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2403734 0.2410724 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2492761 0.2500011 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2581789 0.2589297 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2670816 0.2678583 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2759843 0.2767869 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2848870 0.2857155 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2937897 0.2946441 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3026925 0.3035727 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3115952 0.3125013 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3204979 0.3214299 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3294006 0.3303585 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3383033 0.3392871 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3472060 0.3482158 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3561088 0.3571444 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3650115 0.3660730 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3739142 0.3750016 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3828169 0.3839302 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3917196 0.3928588 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4006224 0.4017874 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4095251 0.4107160 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4184278 0.4196446 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4273305 0.4285732 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4362332 0.4375018 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4451360 0.4464305 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4540387 0.4553591 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4629414 0.4642877 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4718441 0.4732163 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4807468 0.4821449 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4896495 0.4910735 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4985523 0.5000021 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4985523 0.5000021 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4857689 0.5000021 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4729855 0.5000021 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4602021 0.5000021 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4474187 0.5000021 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4346353 0.5000021 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4218519 0.5000021 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4090685 0.5000021 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3962851 0.5000021 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3835017 0.5000021 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3707183 0.5000021 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3579350 0.5000021 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3451516 0.5000021 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3323682 0.5000021 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3195848 0.5000021 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3068014 0.5000021 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2940180 0.5000021 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2812346 0.5000021 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2684512 0.5000021 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2556678 0.5000021 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2428844 0.5000021 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2301011 0.5000021 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2173177 0.5000021 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2045343 0.5000021 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1917509 0.5000021 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1789675 0.5000021 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1661841 0.5000021 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1534007 0.5000021 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406173 0.5000021 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1278339 0.5000021 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1150505 0.5000021 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1022671 0.5000021 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894837 0.5000021 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0767004 0.5000021 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0639170 0.5000021 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511336 0.5000021 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383502 0.5000021 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255668 0.5000021 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127834 0.5000021 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000021 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000021 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000021 0.0126014), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000021 0.0252027), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000021 0.0378041), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000021 0.0504055), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000021 0.0630068), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000021 0.0756082), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000021 0.0882096), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000021 0.1008109), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000021 0.1134123), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000021 0.1260137), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000021 0.1386151), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000021 0.1512164), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000021 0.1638178), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000021 0.1764192), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000021 0.1890205), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000021 0.2016219), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000021 0.2142233), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000021 0.2268246), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000021 0.2394260), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000021 0.2520274), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000021 0.2646287), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000021 0.2772301), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000021 0.2898315), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000021 0.3024328), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000021 0.3150342), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000021 0.3276356), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000021 0.3402369), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000021 0.3528383), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000021 0.3654397), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000021 0.3780411), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000021 0.3906424), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000021 0.4032438), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000021 0.4158452), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000021 0.4284465), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000021 0.4410479), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000021 0.4536493), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000021 0.4662506), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000021 0.4788520), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000021 0.4914534), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000021 0.5040547), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000021 0.5040547), wk = 0.0021008 k( 140) = ( 0.0127834 0.5000021 0.5040547), wk = 0.0021008 k( 141) = ( 0.0255668 0.5000021 0.5040547), wk = 0.0021008 k( 142) = ( 0.0383502 0.5000021 0.5040547), wk = 0.0021008 k( 143) = ( 0.0511336 0.5000021 0.5040547), wk = 0.0021008 k( 144) = ( 0.0639170 0.5000021 0.5040547), wk = 0.0021008 k( 145) = ( 0.0767004 0.5000021 0.5040547), wk = 0.0021008 k( 146) = ( 0.0894837 0.5000021 0.5040547), wk = 0.0021008 k( 147) = ( 0.1022671 0.5000021 0.5040547), wk = 0.0021008 k( 148) = ( 0.1150505 0.5000021 0.5040547), wk = 0.0021008 k( 149) = ( 0.1278339 0.5000021 0.5040547), wk = 0.0021008 k( 150) = ( 0.1406173 0.5000021 0.5040547), wk = 0.0021008 k( 151) = ( 0.1534007 0.5000021 0.5040547), wk = 0.0021008 k( 152) = ( 0.1661841 0.5000021 0.5040547), wk = 0.0021008 k( 153) = ( 0.1789675 0.5000021 0.5040547), wk = 0.0021008 k( 154) = ( 0.1917509 0.5000021 0.5040547), wk = 0.0021008 k( 155) = ( 0.2045343 0.5000021 0.5040547), wk = 0.0021008 k( 156) = ( 0.2173177 0.5000021 0.5040547), wk = 0.0021008 k( 157) = ( 0.2301011 0.5000021 0.5040547), wk = 0.0021008 k( 158) = ( 0.2428844 0.5000021 0.5040547), wk = 0.0021008 k( 159) = ( 0.2556678 0.5000021 0.5040547), wk = 0.0021008 k( 160) = ( 0.2684512 0.5000021 0.5040547), wk = 0.0021008 k( 161) = ( 0.2812346 0.5000021 0.5040547), wk = 0.0021008 k( 162) = ( 0.2940180 0.5000021 0.5040547), wk = 0.0021008 k( 163) = ( 0.3068014 0.5000021 0.5040547), wk = 0.0021008 k( 164) = ( 0.3195848 0.5000021 0.5040547), wk = 0.0021008 k( 165) = ( 0.3323682 0.5000021 0.5040547), wk = 0.0021008 k( 166) = ( 0.3451516 0.5000021 0.5040547), wk = 0.0021008 k( 167) = ( 0.3579350 0.5000021 0.5040547), wk = 0.0021008 k( 168) = ( 0.3707183 0.5000021 0.5040547), wk = 0.0021008 k( 169) = ( 0.3835017 0.5000021 0.5040547), wk = 0.0021008 k( 170) = ( 0.3962851 0.5000021 0.5040547), wk = 0.0021008 k( 171) = ( 0.4090685 0.5000021 0.5040547), wk = 0.0021008 k( 172) = ( 0.4218519 0.5000021 0.5040547), wk = 0.0021008 k( 173) = ( 0.4346353 0.5000021 0.5040547), wk = 0.0021008 k( 174) = ( 0.4474187 0.5000021 0.5040547), wk = 0.0021008 k( 175) = ( 0.4602021 0.5000021 0.5040547), wk = 0.0021008 k( 176) = ( 0.4729855 0.5000021 0.5040547), wk = 0.0021008 k( 177) = ( 0.4857689 0.5000021 0.5040547), wk = 0.0021008 k( 178) = ( 0.4985523 0.5000021 0.5040547), wk = 0.0021008 k( 179) = ( 0.4985523 0.5000021 0.5040547), wk = 0.0021008 k( 180) = ( 0.4896495 0.4910735 0.5040547), wk = 0.0021008 k( 181) = ( 0.4807468 0.4821449 0.5040547), wk = 0.0021008 k( 182) = ( 0.4718441 0.4732163 0.5040547), wk = 0.0021008 k( 183) = ( 0.4629414 0.4642877 0.5040547), wk = 0.0021008 k( 184) = ( 0.4540387 0.4553591 0.5040547), wk = 0.0021008 k( 185) = ( 0.4451360 0.4464305 0.5040547), wk = 0.0021008 k( 186) = ( 0.4362332 0.4375018 0.5040547), wk = 0.0021008 k( 187) = ( 0.4273305 0.4285732 0.5040547), wk = 0.0021008 k( 188) = ( 0.4184278 0.4196446 0.5040547), wk = 0.0021008 k( 189) = ( 0.4095251 0.4107160 0.5040547), wk = 0.0021008 k( 190) = ( 0.4006224 0.4017874 0.5040547), wk = 0.0021008 k( 191) = ( 0.3917196 0.3928588 0.5040547), wk = 0.0021008 k( 192) = ( 0.3828169 0.3839302 0.5040547), wk = 0.0021008 k( 193) = ( 0.3739142 0.3750016 0.5040547), wk = 0.0021008 k( 194) = ( 0.3650115 0.3660730 0.5040547), wk = 0.0021008 k( 195) = ( 0.3561088 0.3571444 0.5040547), wk = 0.0021008 k( 196) = ( 0.3472060 0.3482158 0.5040547), wk = 0.0021008 k( 197) = ( 0.3383033 0.3392871 0.5040547), wk = 0.0021008 k( 198) = ( 0.3294006 0.3303585 0.5040547), wk = 0.0021008 k( 199) = ( 0.3204979 0.3214299 0.5040547), wk = 0.0021008 k( 200) = ( 0.3115952 0.3125013 0.5040547), wk = 0.0021008 k( 201) = ( 0.3026925 0.3035727 0.5040547), wk = 0.0021008 k( 202) = ( 0.2937897 0.2946441 0.5040547), wk = 0.0021008 k( 203) = ( 0.2848870 0.2857155 0.5040547), wk = 0.0021008 k( 204) = ( 0.2759843 0.2767869 0.5040547), wk = 0.0021008 k( 205) = ( 0.2670816 0.2678583 0.5040547), wk = 0.0021008 k( 206) = ( 0.2581789 0.2589297 0.5040547), wk = 0.0021008 k( 207) = ( 0.2492761 0.2500011 0.5040547), wk = 0.0021008 k( 208) = ( 0.2403734 0.2410724 0.5040547), wk = 0.0021008 k( 209) = ( 0.2314707 0.2321438 0.5040547), wk = 0.0021008 k( 210) = ( 0.2225680 0.2232152 0.5040547), wk = 0.0021008 k( 211) = ( 0.2136653 0.2142866 0.5040547), wk = 0.0021008 k( 212) = ( 0.2047625 0.2053580 0.5040547), wk = 0.0021008 k( 213) = ( 0.1958598 0.1964294 0.5040547), wk = 0.0021008 k( 214) = ( 0.1869571 0.1875008 0.5040547), wk = 0.0021008 k( 215) = ( 0.1780544 0.1785722 0.5040547), wk = 0.0021008 k( 216) = ( 0.1691517 0.1696436 0.5040547), wk = 0.0021008 k( 217) = ( 0.1602489 0.1607150 0.5040547), wk = 0.0021008 k( 218) = ( 0.1513462 0.1517864 0.5040547), wk = 0.0021008 k( 219) = ( 0.1424435 0.1428577 0.5040547), wk = 0.0021008 k( 220) = ( 0.1335408 0.1339291 0.5040547), wk = 0.0021008 k( 221) = ( 0.1246381 0.1250005 0.5040547), wk = 0.0021008 k( 222) = ( 0.1157354 0.1160719 0.5040547), wk = 0.0021008 k( 223) = ( 0.1068326 0.1071433 0.5040547), wk = 0.0021008 k( 224) = ( 0.0979299 0.0982147 0.5040547), wk = 0.0021008 k( 225) = ( 0.0890272 0.0892861 0.5040547), wk = 0.0021008 k( 226) = ( 0.0801245 0.0803575 0.5040547), wk = 0.0021008 k( 227) = ( 0.0712218 0.0714289 0.5040547), wk = 0.0021008 k( 228) = ( 0.0623190 0.0625003 0.5040547), wk = 0.0021008 k( 229) = ( 0.0534163 0.0535717 0.5040547), wk = 0.0021008 k( 230) = ( 0.0445136 0.0446431 0.5040547), wk = 0.0021008 k( 231) = ( 0.0356109 0.0357144 0.5040547), wk = 0.0021008 k( 232) = ( 0.0267082 0.0267858 0.5040547), wk = 0.0021008 k( 233) = ( 0.0178054 0.0178572 0.5040547), wk = 0.0021008 k( 234) = ( 0.0089027 0.0089286 0.5040547), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5040547), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5040547), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4914534), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4788520), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4662506), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4536493), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4410479), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4284465), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4158452), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4032438), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3906424), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3780411), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3654397), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3528383), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3402369), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3276356), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3150342), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3024328), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2898315), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2772301), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2646287), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2520274), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2394260), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2268246), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2142233), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2016219), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1890205), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1764192), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1638178), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1512164), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1386151), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1260137), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1134123), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1008109), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0882096), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0756082), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0630068), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0504055), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0378041), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0252027), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0126014), 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 0.0089027 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178054 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267080 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0356107 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0445134 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0534161 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0623188 0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0712215 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0801241 0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0890268 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0979295 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1068322 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1157349 0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1246375 0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1335402 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1424429 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1513456 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1602483 0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1691510 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1780536 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1869563 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1958590 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2047617 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2136644 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2225670 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2314697 0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2403724 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2492751 0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2581778 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2670804 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2759831 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2848858 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2937885 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3026912 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3115939 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3204965 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3293992 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3383019 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3472046 0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3561073 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3650099 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3739126 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3828153 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3917180 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4006207 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4095234 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4184260 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4273287 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4362314 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4451341 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4540368 0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4629394 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4718421 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4807448 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4896475 0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4985502 0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4985502 0.0000000), wk = 0.0021008 k( 335) = ( -0.4985523 0.5000021 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4985523 0.5000021 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4985523 0.5000021 0.0126014), wk = 0.0021008 k( 338) = ( -0.4985523 0.5000021 0.0252027), wk = 0.0021008 k( 339) = ( -0.4985523 0.5000021 0.0378041), wk = 0.0021008 k( 340) = ( -0.4985523 0.5000021 0.0504055), wk = 0.0021008 k( 341) = ( -0.4985523 0.5000021 0.0630068), wk = 0.0021008 k( 342) = ( -0.4985523 0.5000021 0.0756082), wk = 0.0021008 k( 343) = ( -0.4985523 0.5000021 0.0882096), wk = 0.0021008 k( 344) = ( -0.4985523 0.5000021 0.1008109), wk = 0.0021008 k( 345) = ( -0.4985523 0.5000021 0.1134123), wk = 0.0021008 k( 346) = ( -0.4985523 0.5000021 0.1260137), wk = 0.0021008 k( 347) = ( -0.4985523 0.5000021 0.1386151), wk = 0.0021008 k( 348) = ( -0.4985523 0.5000021 0.1512164), wk = 0.0021008 k( 349) = ( -0.4985523 0.5000021 0.1638178), wk = 0.0021008 k( 350) = ( -0.4985523 0.5000021 0.1764192), wk = 0.0021008 k( 351) = ( -0.4985523 0.5000021 0.1890205), wk = 0.0021008 k( 352) = ( -0.4985523 0.5000021 0.2016219), wk = 0.0021008 k( 353) = ( -0.4985523 0.5000021 0.2142233), wk = 0.0021008 k( 354) = ( -0.4985523 0.5000021 0.2268246), wk = 0.0021008 k( 355) = ( -0.4985523 0.5000021 0.2394260), wk = 0.0021008 k( 356) = ( -0.4985523 0.5000021 0.2520274), wk = 0.0021008 k( 357) = ( -0.4985523 0.5000021 0.2646287), wk = 0.0021008 k( 358) = ( -0.4985523 0.5000021 0.2772301), wk = 0.0021008 k( 359) = ( -0.4985523 0.5000021 0.2898315), wk = 0.0021008 k( 360) = ( -0.4985523 0.5000021 0.3024328), wk = 0.0021008 k( 361) = ( -0.4985523 0.5000021 0.3150342), wk = 0.0021008 k( 362) = ( -0.4985523 0.5000021 0.3276356), wk = 0.0021008 k( 363) = ( -0.4985523 0.5000021 0.3402369), wk = 0.0021008 k( 364) = ( -0.4985523 0.5000021 0.3528383), wk = 0.0021008 k( 365) = ( -0.4985523 0.5000021 0.3654397), wk = 0.0021008 k( 366) = ( -0.4985523 0.5000021 0.3780411), wk = 0.0021008 k( 367) = ( -0.4985523 0.5000021 0.3906424), wk = 0.0021008 k( 368) = ( -0.4985523 0.5000021 0.4032438), wk = 0.0021008 k( 369) = ( -0.4985523 0.5000021 0.4158452), wk = 0.0021008 k( 370) = ( -0.4985523 0.5000021 0.4284465), wk = 0.0021008 k( 371) = ( -0.4985523 0.5000021 0.4410479), wk = 0.0021008 k( 372) = ( -0.4985523 0.5000021 0.4536493), wk = 0.0021008 k( 373) = ( -0.4985523 0.5000021 0.4662506), wk = 0.0021008 k( 374) = ( -0.4985523 0.5000021 0.4788520), wk = 0.0021008 k( 375) = ( -0.4985523 0.5000021 0.4914534), wk = 0.0021008 k( 376) = ( -0.4985523 0.5000021 0.5040547), wk = 0.0021008 k( 377) = ( -0.4985523 0.5000021 0.5040547), wk = 0.0021008 k( 378) = ( -0.5000000 0.4985502 0.5040547), wk = 0.0021008 k( 379) = ( -0.5000000 0.4985502 0.5040547), wk = 0.0021008 k( 380) = ( -0.5000000 0.4985502 0.4914534), wk = 0.0021008 k( 381) = ( -0.5000000 0.4985502 0.4788520), wk = 0.0021008 k( 382) = ( -0.5000000 0.4985502 0.4662506), wk = 0.0021008 k( 383) = ( -0.5000000 0.4985502 0.4536493), wk = 0.0021008 k( 384) = ( -0.5000000 0.4985502 0.4410479), wk = 0.0021008 k( 385) = ( -0.5000000 0.4985502 0.4284465), wk = 0.0021008 k( 386) = ( -0.5000000 0.4985502 0.4158452), wk = 0.0021008 k( 387) = ( -0.5000000 0.4985502 0.4032438), wk = 0.0021008 k( 388) = ( -0.5000000 0.4985502 0.3906424), wk = 0.0021008 k( 389) = ( -0.5000000 0.4985502 0.3780411), wk = 0.0021008 k( 390) = ( -0.5000000 0.4985502 0.3654397), wk = 0.0021008 k( 391) = ( -0.5000000 0.4985502 0.3528383), wk = 0.0021008 k( 392) = ( -0.5000000 0.4985502 0.3402369), wk = 0.0021008 k( 393) = ( -0.5000000 0.4985502 0.3276356), wk = 0.0021008 k( 394) = ( -0.5000000 0.4985502 0.3150342), wk = 0.0021008 k( 395) = ( -0.5000000 0.4985502 0.3024328), wk = 0.0021008 k( 396) = ( -0.5000000 0.4985502 0.2898315), wk = 0.0021008 k( 397) = ( -0.5000000 0.4985502 0.2772301), wk = 0.0021008 k( 398) = ( -0.5000000 0.4985502 0.2646287), wk = 0.0021008 k( 399) = ( -0.5000000 0.4985502 0.2520274), wk = 0.0021008 k( 400) = ( -0.5000000 0.4985502 0.2394260), wk = 0.0021008 k( 401) = ( -0.5000000 0.4985502 0.2268246), wk = 0.0021008 k( 402) = ( -0.5000000 0.4985502 0.2142233), wk = 0.0021008 k( 403) = ( -0.5000000 0.4985502 0.2016219), wk = 0.0021008 k( 404) = ( -0.5000000 0.4985502 0.1890205), wk = 0.0021008 k( 405) = ( -0.5000000 0.4985502 0.1764192), wk = 0.0021008 k( 406) = ( -0.5000000 0.4985502 0.1638178), wk = 0.0021008 k( 407) = ( -0.5000000 0.4985502 0.1512164), wk = 0.0021008 k( 408) = ( -0.5000000 0.4985502 0.1386151), wk = 0.0021008 k( 409) = ( -0.5000000 0.4985502 0.1260137), wk = 0.0021008 k( 410) = ( -0.5000000 0.4985502 0.1134123), wk = 0.0021008 k( 411) = ( -0.5000000 0.4985502 0.1008109), wk = 0.0021008 k( 412) = ( -0.5000000 0.4985502 0.0882096), wk = 0.0021008 k( 413) = ( -0.5000000 0.4985502 0.0756082), wk = 0.0021008 k( 414) = ( -0.5000000 0.4985502 0.0630068), wk = 0.0021008 k( 415) = ( -0.5000000 0.4985502 0.0504055), wk = 0.0021008 k( 416) = ( -0.5000000 0.4985502 0.0378041), wk = 0.0021008 k( 417) = ( -0.5000000 0.4985502 0.0252027), wk = 0.0021008 k( 418) = ( -0.5000000 0.4985502 0.0126014), wk = 0.0021008 k( 419) = ( -0.5000000 0.4985502 0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5040547), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089027 0.5040547), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178054 0.5040547), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267080 0.5040547), wk = 0.0021008 k( 424) = ( -0.0357143 0.0356107 0.5040547), wk = 0.0021008 k( 425) = ( -0.0446429 0.0445134 0.5040547), wk = 0.0021008 k( 426) = ( -0.0535714 0.0534161 0.5040547), wk = 0.0021008 k( 427) = ( -0.0625000 0.0623188 0.5040547), wk = 0.0021008 k( 428) = ( -0.0714286 0.0712215 0.5040547), wk = 0.0021008 k( 429) = ( -0.0803571 0.0801241 0.5040547), wk = 0.0021008 k( 430) = ( -0.0892857 0.0890268 0.5040547), wk = 0.0021008 k( 431) = ( -0.0982143 0.0979295 0.5040547), wk = 0.0021008 k( 432) = ( -0.1071429 0.1068322 0.5040547), wk = 0.0021008 k( 433) = ( -0.1160714 0.1157349 0.5040547), wk = 0.0021008 k( 434) = ( -0.1250000 0.1246375 0.5040547), wk = 0.0021008 k( 435) = ( -0.1339286 0.1335402 0.5040547), wk = 0.0021008 k( 436) = ( -0.1428571 0.1424429 0.5040547), wk = 0.0021008 k( 437) = ( -0.1517857 0.1513456 0.5040547), wk = 0.0021008 k( 438) = ( -0.1607143 0.1602483 0.5040547), wk = 0.0021008 k( 439) = ( -0.1696429 0.1691510 0.5040547), wk = 0.0021008 k( 440) = ( -0.1785714 0.1780536 0.5040547), wk = 0.0021008 k( 441) = ( -0.1875000 0.1869563 0.5040547), wk = 0.0021008 k( 442) = ( -0.1964286 0.1958590 0.5040547), wk = 0.0021008 k( 443) = ( -0.2053571 0.2047617 0.5040547), wk = 0.0021008 k( 444) = ( -0.2142857 0.2136644 0.5040547), wk = 0.0021008 k( 445) = ( -0.2232143 0.2225670 0.5040547), wk = 0.0021008 k( 446) = ( -0.2321429 0.2314697 0.5040547), wk = 0.0021008 k( 447) = ( -0.2410714 0.2403724 0.5040547), wk = 0.0021008 k( 448) = ( -0.2500000 0.2492751 0.5040547), wk = 0.0021008 k( 449) = ( -0.2589286 0.2581778 0.5040547), wk = 0.0021008 k( 450) = ( -0.2678571 0.2670804 0.5040547), wk = 0.0021008 k( 451) = ( -0.2767857 0.2759831 0.5040547), wk = 0.0021008 k( 452) = ( -0.2857143 0.2848858 0.5040547), wk = 0.0021008 k( 453) = ( -0.2946429 0.2937885 0.5040547), wk = 0.0021008 k( 454) = ( -0.3035714 0.3026912 0.5040547), wk = 0.0021008 k( 455) = ( -0.3125000 0.3115939 0.5040547), wk = 0.0021008 k( 456) = ( -0.3214286 0.3204965 0.5040547), wk = 0.0021008 k( 457) = ( -0.3303571 0.3293992 0.5040547), wk = 0.0021008 k( 458) = ( -0.3392857 0.3383019 0.5040547), wk = 0.0021008 k( 459) = ( -0.3482143 0.3472046 0.5040547), wk = 0.0021008 k( 460) = ( -0.3571429 0.3561073 0.5040547), wk = 0.0021008 k( 461) = ( -0.3660714 0.3650099 0.5040547), wk = 0.0021008 k( 462) = ( -0.3750000 0.3739126 0.5040547), wk = 0.0021008 k( 463) = ( -0.3839286 0.3828153 0.5040547), wk = 0.0021008 k( 464) = ( -0.3928571 0.3917180 0.5040547), wk = 0.0021008 k( 465) = ( -0.4017857 0.4006207 0.5040547), wk = 0.0021008 k( 466) = ( -0.4107143 0.4095234 0.5040547), wk = 0.0021008 k( 467) = ( -0.4196429 0.4184260 0.5040547), wk = 0.0021008 k( 468) = ( -0.4285714 0.4273287 0.5040547), wk = 0.0021008 k( 469) = ( -0.4375000 0.4362314 0.5040547), wk = 0.0021008 k( 470) = ( -0.4464286 0.4451341 0.5040547), wk = 0.0021008 k( 471) = ( -0.4553571 0.4540368 0.5040547), wk = 0.0021008 k( 472) = ( -0.4642857 0.4629394 0.5040547), wk = 0.0021008 k( 473) = ( -0.4732143 0.4718421 0.5040547), wk = 0.0021008 k( 474) = ( -0.4821429 0.4807448 0.5040547), wk = 0.0021008 k( 475) = ( -0.4910714 0.4896475 0.5040547), wk = 0.0021008 k( 476) = ( -0.5000000 0.4985502 0.5040547), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089027 0.0089027 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178054 0.0178054 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267082 0.0267082 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356109 0.0356109 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445136 0.0445136 0.0000000), wk = 0.0021008 k( 7) = ( 0.0534163 0.0534163 0.0000000), wk = 0.0021008 k( 8) = ( 0.0623190 0.0623190 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712218 0.0712218 0.0000000), wk = 0.0021008 k( 10) = ( 0.0801245 0.0801245 0.0000000), wk = 0.0021008 k( 11) = ( 0.0890272 0.0890272 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979299 0.0979299 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068326 0.1068326 0.0000000), wk = 0.0021008 k( 14) = ( 0.1157354 0.1157354 0.0000000), wk = 0.0021008 k( 15) = ( 0.1246381 0.1246381 0.0000000), wk = 0.0021008 k( 16) = ( 0.1335408 0.1335408 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1424435 0.1424435 0.0000000), wk = 0.0021008 k( 18) = ( 0.1513462 0.1513462 0.0000000), wk = 0.0021008 k( 19) = ( 0.1602489 0.1602489 0.0000000), wk = 0.0021008 k( 20) = ( 0.1691517 0.1691517 0.0000000), wk = 0.0021008 k( 21) = ( 0.1780544 0.1780544 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1869571 0.1869571 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1958598 0.1958598 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2047625 0.2047625 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2136653 0.2136653 0.0000000), wk = 0.0021008 k( 26) = ( 0.2225680 0.2225680 0.0000000), wk = 0.0021008 k( 27) = ( 0.2314707 0.2314707 0.0000000), wk = 0.0021008 k( 28) = ( 0.2403734 0.2403734 0.0000000), wk = 0.0021008 k( 29) = ( 0.2492761 0.2492761 0.0000000), wk = 0.0021008 k( 30) = ( 0.2581789 0.2581789 0.0000000), wk = 0.0021008 k( 31) = ( 0.2670816 0.2670816 0.0000000), wk = 0.0021008 k( 32) = ( 0.2759843 0.2759843 0.0000000), wk = 0.0021008 k( 33) = ( 0.2848870 0.2848870 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2937897 0.2937897 0.0000000), wk = 0.0021008 k( 35) = ( 0.3026925 0.3026925 0.0000000), wk = 0.0021008 k( 36) = ( 0.3115952 0.3115952 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3204979 0.3204979 0.0000000), wk = 0.0021008 k( 38) = ( 0.3294006 0.3294006 0.0000000), wk = 0.0021008 k( 39) = ( 0.3383033 0.3383033 0.0000000), wk = 0.0021008 k( 40) = ( 0.3472060 0.3472060 0.0000000), wk = 0.0021008 k( 41) = ( 0.3561088 0.3561088 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3650115 0.3650115 0.0000000), wk = 0.0021008 k( 43) = ( 0.3739142 0.3739142 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3828169 0.3828169 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3917196 0.3917196 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4006224 0.4006224 0.0000000), wk = 0.0021008 k( 47) = ( 0.4095251 0.4095251 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4184278 0.4184278 0.0000000), wk = 0.0021008 k( 49) = ( 0.4273305 0.4273305 0.0000000), wk = 0.0021008 k( 50) = ( 0.4362332 0.4362332 0.0000000), wk = 0.0021008 k( 51) = ( 0.4451360 0.4451360 0.0000000), wk = 0.0021008 k( 52) = ( 0.4540387 0.4540387 0.0000000), wk = 0.0021008 k( 53) = ( 0.4629414 0.4629414 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4718441 0.4718441 0.0000000), wk = 0.0021008 k( 55) = ( 0.4807468 0.4807468 0.0000000), wk = 0.0021008 k( 56) = ( 0.4896495 0.4896496 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4985523 0.4985523 0.0000000), wk = 0.0021008 k( 58) = ( 0.4985523 0.4985523 0.0000000), wk = 0.0021008 k( 59) = ( 0.4857689 0.4985894 0.0000000), wk = 0.0021008 k( 60) = ( 0.4729855 0.4986265 0.0000000), wk = 0.0021008 k( 61) = ( 0.4602021 0.4986636 0.0000000), wk = 0.0021008 k( 62) = ( 0.4474187 0.4987008 0.0000000), wk = 0.0021008 k( 63) = ( 0.4346353 0.4987379 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4218519 0.4987750 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4090685 0.4988121 0.0000000), wk = 0.0021008 k( 66) = ( 0.3962851 0.4988492 0.0000000), wk = 0.0021008 k( 67) = ( 0.3835017 0.4988864 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3707183 0.4989235 0.0000000), wk = 0.0021008 k( 69) = ( 0.3579350 0.4989606 0.0000000), wk = 0.0021008 k( 70) = ( 0.3451516 0.4989977 0.0000000), wk = 0.0021008 k( 71) = ( 0.3323682 0.4990348 0.0000000), wk = 0.0021008 k( 72) = ( 0.3195848 0.4990720 0.0000000), wk = 0.0021008 k( 73) = ( 0.3068014 0.4991091 0.0000000), wk = 0.0021008 k( 74) = ( 0.2940180 0.4991462 0.0000000), wk = 0.0021008 k( 75) = ( 0.2812346 0.4991833 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2684512 0.4992205 0.0000000), wk = 0.0021008 k( 77) = ( 0.2556678 0.4992576 0.0000000), wk = 0.0021008 k( 78) = ( 0.2428844 0.4992947 0.0000000), wk = 0.0021008 k( 79) = ( 0.2301011 0.4993318 0.0000000), wk = 0.0021008 k( 80) = ( 0.2173177 0.4993689 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2045343 0.4994061 0.0000000), wk = 0.0021008 k( 82) = ( 0.1917509 0.4994432 0.0000000), wk = 0.0021008 k( 83) = ( 0.1789675 0.4994803 0.0000000), wk = 0.0021008 k( 84) = ( 0.1661841 0.4995174 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1534007 0.4995545 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406173 0.4995917 0.0000000), wk = 0.0021008 k( 87) = ( 0.1278339 0.4996288 0.0000000), wk = 0.0021008 k( 88) = ( 0.1150505 0.4996659 0.0000000), wk = 0.0021008 k( 89) = ( 0.1022671 0.4997030 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0894837 0.4997402 0.0000000), wk = 0.0021008 k( 91) = ( 0.0767004 0.4997773 0.0000000), wk = 0.0021008 k( 92) = ( 0.0639170 0.4998144 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511336 0.4998515 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383502 0.4998886 0.0000000), wk = 0.0021008 k( 95) = ( 0.0255668 0.4999258 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127834 0.4999629 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) = ( 0.0127834 0.4999629 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255668 0.4999258 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383502 0.4998886 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511336 0.4998515 0.5000000), wk = 0.0021008 k( 144) = ( 0.0639170 0.4998144 0.5000000), wk = 0.0021008 k( 145) = ( 0.0767004 0.4997773 0.5000000), wk = 0.0021008 k( 146) = ( 0.0894837 0.4997402 0.5000000), wk = 0.0021008 k( 147) = ( 0.1022671 0.4997030 0.5000000), wk = 0.0021008 k( 148) = ( 0.1150505 0.4996659 0.5000000), wk = 0.0021008 k( 149) = ( 0.1278339 0.4996288 0.5000000), wk = 0.0021008 k( 150) = ( 0.1406173 0.4995917 0.5000000), wk = 0.0021008 k( 151) = ( 0.1534007 0.4995545 0.5000000), wk = 0.0021008 k( 152) = ( 0.1661841 0.4995174 0.5000000), wk = 0.0021008 k( 153) = ( 0.1789675 0.4994803 0.5000000), wk = 0.0021008 k( 154) = ( 0.1917509 0.4994432 0.5000000), wk = 0.0021008 k( 155) = ( 0.2045343 0.4994061 0.5000000), wk = 0.0021008 k( 156) = ( 0.2173177 0.4993689 0.5000000), wk = 0.0021008 k( 157) = ( 0.2301011 0.4993318 0.5000000), wk = 0.0021008 k( 158) = ( 0.2428844 0.4992947 0.5000000), wk = 0.0021008 k( 159) = ( 0.2556678 0.4992576 0.5000000), wk = 0.0021008 k( 160) = ( 0.2684512 0.4992205 0.5000000), wk = 0.0021008 k( 161) = ( 0.2812346 0.4991833 0.5000000), wk = 0.0021008 k( 162) = ( 0.2940180 0.4991462 0.5000000), wk = 0.0021008 k( 163) = ( 0.3068014 0.4991091 0.5000000), wk = 0.0021008 k( 164) = ( 0.3195848 0.4990720 0.5000000), wk = 0.0021008 k( 165) = ( 0.3323682 0.4990348 0.5000000), wk = 0.0021008 k( 166) = ( 0.3451516 0.4989977 0.5000000), wk = 0.0021008 k( 167) = ( 0.3579350 0.4989606 0.5000000), wk = 0.0021008 k( 168) = ( 0.3707183 0.4989235 0.5000000), wk = 0.0021008 k( 169) = ( 0.3835017 0.4988864 0.5000000), wk = 0.0021008 k( 170) = ( 0.3962851 0.4988492 0.5000000), wk = 0.0021008 k( 171) = ( 0.4090685 0.4988121 0.5000000), wk = 0.0021008 k( 172) = ( 0.4218519 0.4987750 0.5000000), wk = 0.0021008 k( 173) = ( 0.4346353 0.4987379 0.5000000), wk = 0.0021008 k( 174) = ( 0.4474187 0.4987008 0.5000000), wk = 0.0021008 k( 175) = ( 0.4602021 0.4986636 0.5000000), wk = 0.0021008 k( 176) = ( 0.4729855 0.4986265 0.5000000), wk = 0.0021008 k( 177) = ( 0.4857689 0.4985894 0.5000000), wk = 0.0021008 k( 178) = ( 0.4985523 0.4985523 0.5000000), wk = 0.0021008 k( 179) = ( 0.4985523 0.4985523 0.5000000), wk = 0.0021008 k( 180) = ( 0.4896495 0.4896496 0.5000000), wk = 0.0021008 k( 181) = ( 0.4807468 0.4807468 0.5000000), wk = 0.0021008 k( 182) = ( 0.4718441 0.4718441 0.5000000), wk = 0.0021008 k( 183) = ( 0.4629414 0.4629414 0.5000000), wk = 0.0021008 k( 184) = ( 0.4540387 0.4540387 0.5000000), wk = 0.0021008 k( 185) = ( 0.4451360 0.4451360 0.5000000), wk = 0.0021008 k( 186) = ( 0.4362332 0.4362332 0.5000000), wk = 0.0021008 k( 187) = ( 0.4273305 0.4273305 0.5000000), wk = 0.0021008 k( 188) = ( 0.4184278 0.4184278 0.5000000), wk = 0.0021008 k( 189) = ( 0.4095251 0.4095251 0.5000000), wk = 0.0021008 k( 190) = ( 0.4006224 0.4006224 0.5000000), wk = 0.0021008 k( 191) = ( 0.3917196 0.3917196 0.5000000), wk = 0.0021008 k( 192) = ( 0.3828169 0.3828169 0.5000000), wk = 0.0021008 k( 193) = ( 0.3739142 0.3739142 0.5000000), wk = 0.0021008 k( 194) = ( 0.3650115 0.3650115 0.5000000), wk = 0.0021008 k( 195) = ( 0.3561088 0.3561088 0.5000000), wk = 0.0021008 k( 196) = ( 0.3472060 0.3472060 0.5000000), wk = 0.0021008 k( 197) = ( 0.3383033 0.3383033 0.5000000), wk = 0.0021008 k( 198) = ( 0.3294006 0.3294006 0.5000000), wk = 0.0021008 k( 199) = ( 0.3204979 0.3204979 0.5000000), wk = 0.0021008 k( 200) = ( 0.3115952 0.3115952 0.5000000), wk = 0.0021008 k( 201) = ( 0.3026925 0.3026925 0.5000000), wk = 0.0021008 k( 202) = ( 0.2937897 0.2937897 0.5000000), wk = 0.0021008 k( 203) = ( 0.2848870 0.2848870 0.5000000), wk = 0.0021008 k( 204) = ( 0.2759843 0.2759843 0.5000000), wk = 0.0021008 k( 205) = ( 0.2670816 0.2670816 0.5000000), wk = 0.0021008 k( 206) = ( 0.2581789 0.2581789 0.5000000), wk = 0.0021008 k( 207) = ( 0.2492761 0.2492761 0.5000000), wk = 0.0021008 k( 208) = ( 0.2403734 0.2403734 0.5000000), wk = 0.0021008 k( 209) = ( 0.2314707 0.2314707 0.5000000), wk = 0.0021008 k( 210) = ( 0.2225680 0.2225680 0.5000000), wk = 0.0021008 k( 211) = ( 0.2136653 0.2136653 0.5000000), wk = 0.0021008 k( 212) = ( 0.2047625 0.2047625 0.5000000), wk = 0.0021008 k( 213) = ( 0.1958598 0.1958598 0.5000000), wk = 0.0021008 k( 214) = ( 0.1869571 0.1869571 0.5000000), wk = 0.0021008 k( 215) = ( 0.1780544 0.1780544 0.5000000), wk = 0.0021008 k( 216) = ( 0.1691517 0.1691517 0.5000000), wk = 0.0021008 k( 217) = ( 0.1602489 0.1602489 0.5000000), wk = 0.0021008 k( 218) = ( 0.1513462 0.1513462 0.5000000), wk = 0.0021008 k( 219) = ( 0.1424435 0.1424435 0.5000000), wk = 0.0021008 k( 220) = ( 0.1335408 0.1335408 0.5000000), wk = 0.0021008 k( 221) = ( 0.1246381 0.1246381 0.5000000), wk = 0.0021008 k( 222) = ( 0.1157354 0.1157354 0.5000000), wk = 0.0021008 k( 223) = ( 0.1068326 0.1068326 0.5000000), wk = 0.0021008 k( 224) = ( 0.0979299 0.0979299 0.5000000), wk = 0.0021008 k( 225) = ( 0.0890272 0.0890272 0.5000000), wk = 0.0021008 k( 226) = ( 0.0801245 0.0801245 0.5000000), wk = 0.0021008 k( 227) = ( 0.0712218 0.0712218 0.5000000), wk = 0.0021008 k( 228) = ( 0.0623190 0.0623190 0.5000000), wk = 0.0021008 k( 229) = ( 0.0534163 0.0534163 0.5000000), wk = 0.0021008 k( 230) = ( 0.0445136 0.0445136 0.5000000), wk = 0.0021008 k( 231) = ( 0.0356109 0.0356109 0.5000000), wk = 0.0021008 k( 232) = ( 0.0267082 0.0267082 0.5000000), wk = 0.0021008 k( 233) = ( 0.0178054 0.0178054 0.5000000), wk = 0.0021008 k( 234) = ( 0.0089027 0.0089027 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) = ( -0.4985523 0.5014477 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4985523 0.5014477 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4985523 0.5014477 0.0125000), wk = 0.0021008 k( 338) = ( -0.4985523 0.5014477 0.0250000), wk = 0.0021008 k( 339) = ( -0.4985523 0.5014477 0.0375000), wk = 0.0021008 k( 340) = ( -0.4985523 0.5014477 0.0500000), wk = 0.0021008 k( 341) = ( -0.4985523 0.5014477 0.0625000), wk = 0.0021008 k( 342) = ( -0.4985523 0.5014477 0.0750000), wk = 0.0021008 k( 343) = ( -0.4985523 0.5014477 0.0875000), wk = 0.0021008 k( 344) = ( -0.4985523 0.5014477 0.1000000), wk = 0.0021008 k( 345) = ( -0.4985523 0.5014477 0.1125000), wk = 0.0021008 k( 346) = ( -0.4985523 0.5014477 0.1250000), wk = 0.0021008 k( 347) = ( -0.4985523 0.5014477 0.1375000), wk = 0.0021008 k( 348) = ( -0.4985523 0.5014477 0.1500000), wk = 0.0021008 k( 349) = ( -0.4985523 0.5014477 0.1625000), wk = 0.0021008 k( 350) = ( -0.4985523 0.5014477 0.1750000), wk = 0.0021008 k( 351) = ( -0.4985523 0.5014477 0.1875000), wk = 0.0021008 k( 352) = ( -0.4985523 0.5014477 0.2000000), wk = 0.0021008 k( 353) = ( -0.4985523 0.5014477 0.2125000), wk = 0.0021008 k( 354) = ( -0.4985523 0.5014477 0.2250000), wk = 0.0021008 k( 355) = ( -0.4985523 0.5014477 0.2375000), wk = 0.0021008 k( 356) = ( -0.4985523 0.5014477 0.2500000), wk = 0.0021008 k( 357) = ( -0.4985523 0.5014477 0.2625000), wk = 0.0021008 k( 358) = ( -0.4985523 0.5014477 0.2750000), wk = 0.0021008 k( 359) = ( -0.4985523 0.5014477 0.2875000), wk = 0.0021008 k( 360) = ( -0.4985523 0.5014477 0.3000000), wk = 0.0021008 k( 361) = ( -0.4985523 0.5014477 0.3125000), wk = 0.0021008 k( 362) = ( -0.4985523 0.5014477 0.3250000), wk = 0.0021008 k( 363) = ( -0.4985523 0.5014477 0.3375000), wk = 0.0021008 k( 364) = ( -0.4985523 0.5014477 0.3500000), wk = 0.0021008 k( 365) = ( -0.4985523 0.5014477 0.3625000), wk = 0.0021008 k( 366) = ( -0.4985523 0.5014477 0.3750000), wk = 0.0021008 k( 367) = ( -0.4985523 0.5014477 0.3875000), wk = 0.0021008 k( 368) = ( -0.4985523 0.5014477 0.4000000), wk = 0.0021008 k( 369) = ( -0.4985523 0.5014477 0.4125000), wk = 0.0021008 k( 370) = ( -0.4985523 0.5014477 0.4250000), wk = 0.0021008 k( 371) = ( -0.4985523 0.5014477 0.4375000), wk = 0.0021008 k( 372) = ( -0.4985523 0.5014477 0.4500000), wk = 0.0021008 k( 373) = ( -0.4985523 0.5014477 0.4625000), wk = 0.0021008 k( 374) = ( -0.4985523 0.5014477 0.4750000), wk = 0.0021008 k( 375) = ( -0.4985523 0.5014477 0.4875000), wk = 0.0021008 k( 376) = ( -0.4985523 0.5014477 0.5000000), wk = 0.0021008 k( 377) = ( -0.4985523 0.5014477 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: 101233 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22035 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 ( 2113) G-vector shells 0.01 Mb ( 1084) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 122, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.2 secs Computing kpt #: 3 total cpu time spent up to now is 51.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.6 secs Computing kpt #: 5 total cpu time spent up to now is 56.6 secs Computing kpt #: 6 total cpu time spent up to now is 60.8 secs Computing kpt #: 7 total cpu time spent up to now is 63.2 secs Computing kpt #: 8 total cpu time spent up to now is 65.5 secs Computing kpt #: 9 total cpu time spent up to now is 67.6 secs Computing kpt #: 10 total cpu time spent up to now is 69.3 secs Computing kpt #: 11 total cpu time spent up to now is 70.6 secs Computing kpt #: 12 total cpu time spent up to now is 72.3 secs Computing kpt #: 13 total cpu time spent up to now is 74.0 secs Computing kpt #: 14 total cpu time spent up to now is 75.3 secs Computing kpt #: 15 total cpu time spent up to now is 76.7 secs Computing kpt #: 16 total cpu time spent up to now is 78.1 secs Computing kpt #: 17 total cpu time spent up to now is 79.4 secs Computing kpt #: 18 total cpu time spent up to now is 80.7 secs Computing kpt #: 19 total cpu time spent up to now is 82.3 secs Computing kpt #: 20 total cpu time spent up to now is 83.5 secs Computing kpt #: 21 total cpu time spent up to now is 84.8 secs Computing kpt #: 22 total cpu time spent up to now is 86.1 secs Computing kpt #: 23 total cpu time spent up to now is 87.6 secs Computing kpt #: 24 total cpu time spent up to now is 89.1 secs Computing kpt #: 25 total cpu time spent up to now is 90.6 secs Computing kpt #: 26 total cpu time spent up to now is 91.8 secs Computing kpt #: 27 total cpu time spent up to now is 93.2 secs Computing kpt #: 28 total cpu time spent up to now is 94.5 secs Computing kpt #: 29 total cpu time spent up to now is 95.7 secs Computing kpt #: 30 total cpu time spent up to now is 96.9 secs Computing kpt #: 31 total cpu time spent up to now is 98.1 secs Computing kpt #: 32 total cpu time spent up to now is 99.4 secs Computing kpt #: 33 total cpu time spent up to now is 100.6 secs Computing kpt #: 34 total cpu time spent up to now is 102.0 secs Computing kpt #: 35 total cpu time spent up to now is 103.2 secs Computing kpt #: 36 total cpu time spent up to now is 104.4 secs Computing kpt #: 37 total cpu time spent up to now is 105.8 secs Computing kpt #: 38 total cpu time spent up to now is 107.0 secs Computing kpt #: 39 total cpu time spent up to now is 108.1 secs Computing kpt #: 40 total cpu time spent up to now is 109.3 secs Computing kpt #: 41 total cpu time spent up to now is 110.5 secs Computing kpt #: 42 total cpu time spent up to now is 111.7 secs Computing kpt #: 43 total cpu time spent up to now is 112.9 secs Computing kpt #: 44 total cpu time spent up to now is 114.0 secs Computing kpt #: 45 total cpu time spent up to now is 115.3 secs Computing kpt #: 46 total cpu time spent up to now is 116.6 secs Computing kpt #: 47 total cpu time spent up to now is 117.9 secs Computing kpt #: 48 total cpu time spent up to now is 119.1 secs Computing kpt #: 49 total cpu time spent up to now is 120.1 secs Computing kpt #: 50 total cpu time spent up to now is 121.2 secs Computing kpt #: 51 total cpu time spent up to now is 122.2 secs Computing kpt #: 52 total cpu time spent up to now is 123.2 secs Computing kpt #: 53 total cpu time spent up to now is 124.3 secs Computing kpt #: 54 total cpu time spent up to now is 125.3 secs Computing kpt #: 55 total cpu time spent up to now is 126.4 secs Computing kpt #: 56 total cpu time spent up to now is 127.4 secs Computing kpt #: 57 total cpu time spent up to now is 128.5 secs Computing kpt #: 58 total cpu time spent up to now is 129.5 secs Computing kpt #: 59 total cpu time spent up to now is 130.6 secs Computing kpt #: 60 total cpu time spent up to now is 131.6 secs Computing kpt #: 61 total cpu time spent up to now is 132.6 secs Computing kpt #: 62 total cpu time spent up to now is 133.8 secs Computing kpt #: 63 total cpu time spent up to now is 134.9 secs Computing kpt #: 64 total cpu time spent up to now is 135.9 secs Computing kpt #: 65 total cpu time spent up to now is 136.9 secs Computing kpt #: 66 total cpu time spent up to now is 137.9 secs Computing kpt #: 67 total cpu time spent up to now is 139.1 secs Computing kpt #: 68 total cpu time spent up to now is 140.3 secs Computing kpt #: 69 total cpu time spent up to now is 141.3 secs Computing kpt #: 70 total cpu time spent up to now is 142.4 secs Computing kpt #: 71 total cpu time spent up to now is 143.6 secs Computing kpt #: 72 total cpu time spent up to now is 144.8 secs Computing kpt #: 73 total cpu time spent up to now is 146.1 secs Computing kpt #: 74 total cpu time spent up to now is 147.4 secs Computing kpt #: 75 total cpu time spent up to now is 148.5 secs Computing kpt #: 76 total cpu time spent up to now is 149.7 secs Computing kpt #: 77 total cpu time spent up to now is 150.9 secs Computing kpt #: 78 total cpu time spent up to now is 152.1 secs Computing kpt #: 79 total cpu time spent up to now is 153.3 secs Computing kpt #: 80 total cpu time spent up to now is 154.5 secs Computing kpt #: 81 total cpu time spent up to now is 155.8 secs Computing kpt #: 82 total cpu time spent up to now is 157.0 secs Computing kpt #: 83 total cpu time spent up to now is 158.4 secs Computing kpt #: 84 total cpu time spent up to now is 159.5 secs Computing kpt #: 85 total cpu time spent up to now is 160.8 secs Computing kpt #: 86 total cpu time spent up to now is 161.9 secs Computing kpt #: 87 total cpu time spent up to now is 163.3 secs Computing kpt #: 88 total cpu time spent up to now is 164.5 secs Computing kpt #: 89 total cpu time spent up to now is 165.7 secs Computing kpt #: 90 total cpu time spent up to now is 166.9 secs Computing kpt #: 91 total cpu time spent up to now is 168.1 secs Computing kpt #: 92 total cpu time spent up to now is 169.4 secs Computing kpt #: 93 total cpu time spent up to now is 170.6 secs Computing kpt #: 94 total cpu time spent up to now is 171.8 secs Computing kpt #: 95 total cpu time spent up to now is 172.9 secs Computing kpt #: 96 total cpu time spent up to now is 174.3 secs Computing kpt #: 97 total cpu time spent up to now is 175.6 secs Computing kpt #: 98 total cpu time spent up to now is 176.8 secs Computing kpt #: 99 total cpu time spent up to now is 178.0 secs Computing kpt #: 100 total cpu time spent up to now is 179.2 secs Computing kpt #: 101 total cpu time spent up to now is 180.4 secs Computing kpt #: 102 total cpu time spent up to now is 181.6 secs Computing kpt #: 103 total cpu time spent up to now is 182.8 secs Computing kpt #: 104 total cpu time spent up to now is 184.0 secs Computing kpt #: 105 total cpu time spent up to now is 185.2 secs Computing kpt #: 106 total cpu time spent up to now is 186.5 secs Computing kpt #: 107 total cpu time spent up to now is 188.1 secs Computing kpt #: 108 total cpu time spent up to now is 189.3 secs Computing kpt #: 109 total cpu time spent up to now is 190.5 secs Computing kpt #: 110 total cpu time spent up to now is 191.9 secs Computing kpt #: 111 total cpu time spent up to now is 193.1 secs Computing kpt #: 112 total cpu time spent up to now is 194.4 secs Computing kpt #: 113 total cpu time spent up to now is 195.6 secs Computing kpt #: 114 total cpu time spent up to now is 196.8 secs Computing kpt #: 115 total cpu time spent up to now is 198.0 secs Computing kpt #: 116 total cpu time spent up to now is 199.2 secs Computing kpt #: 117 total cpu time spent up to now is 200.4 secs Computing kpt #: 118 total cpu time spent up to now is 201.5 secs Computing kpt #: 119 total cpu time spent up to now is 202.7 secs Computing kpt #: 120 total cpu time spent up to now is 203.9 secs Computing kpt #: 121 total cpu time spent up to now is 205.1 secs Computing kpt #: 122 total cpu time spent up to now is 206.3 secs Computing kpt #: 123 total cpu time spent up to now is 207.5 secs Computing kpt #: 124 total cpu time spent up to now is 208.6 secs Computing kpt #: 125 total cpu time spent up to now is 209.8 secs Computing kpt #: 126 total cpu time spent up to now is 211.0 secs Computing kpt #: 127 total cpu time spent up to now is 212.1 secs Computing kpt #: 128 total cpu time spent up to now is 213.2 secs Computing kpt #: 129 total cpu time spent up to now is 214.2 secs Computing kpt #: 130 total cpu time spent up to now is 215.3 secs Computing kpt #: 131 total cpu time spent up to now is 216.3 secs Computing kpt #: 132 total cpu time spent up to now is 217.3 secs Computing kpt #: 133 total cpu time spent up to now is 218.4 secs Computing kpt #: 134 total cpu time spent up to now is 219.5 secs Computing kpt #: 135 total cpu time spent up to now is 220.5 secs Computing kpt #: 136 total cpu time spent up to now is 221.5 secs Computing kpt #: 137 total cpu time spent up to now is 222.5 secs Computing kpt #: 138 total cpu time spent up to now is 223.6 secs Computing kpt #: 139 total cpu time spent up to now is 224.6 secs Computing kpt #: 140 total cpu time spent up to now is 225.7 secs Computing kpt #: 141 total cpu time spent up to now is 226.7 secs Computing kpt #: 142 total cpu time spent up to now is 227.7 secs Computing kpt #: 143 total cpu time spent up to now is 228.7 secs Computing kpt #: 144 total cpu time spent up to now is 229.8 secs Computing kpt #: 145 total cpu time spent up to now is 230.9 secs Computing kpt #: 146 total cpu time spent up to now is 232.0 secs Computing kpt #: 147 total cpu time spent up to now is 233.0 secs Computing kpt #: 148 total cpu time spent up to now is 234.2 secs Computing kpt #: 149 total cpu time spent up to now is 235.6 secs Computing kpt #: 150 total cpu time spent up to now is 236.9 secs Computing kpt #: 151 total cpu time spent up to now is 238.1 secs Computing kpt #: 152 total cpu time spent up to now is 239.5 secs Computing kpt #: 153 total cpu time spent up to now is 240.8 secs Computing kpt #: 154 total cpu time spent up to now is 242.4 secs Computing kpt #: 155 total cpu time spent up to now is 243.7 secs Computing kpt #: 156 total cpu time spent up to now is 245.2 secs Computing kpt #: 157 total cpu time spent up to now is 246.8 secs Computing kpt #: 158 total cpu time spent up to now is 248.4 secs Computing kpt #: 159 total cpu time spent up to now is 249.9 secs Computing kpt #: 160 total cpu time spent up to now is 251.6 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 255.0 secs Computing kpt #: 163 total cpu time spent up to now is 256.6 secs Computing kpt #: 164 total cpu time spent up to now is 258.4 secs Computing kpt #: 165 total cpu time spent up to now is 260.3 secs Computing kpt #: 166 total cpu time spent up to now is 262.3 secs Computing kpt #: 167 total cpu time spent up to now is 264.2 secs Computing kpt #: 168 total cpu time spent up to now is 266.2 secs Computing kpt #: 169 total cpu time spent up to now is 268.4 secs Computing kpt #: 170 total cpu time spent up to now is 270.4 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 275.3 secs Computing kpt #: 173 total cpu time spent up to now is 277.8 secs Computing kpt #: 174 total cpu time spent up to now is 280.2 secs Computing kpt #: 175 total cpu time spent up to now is 283.1 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.2 secs Computing kpt #: 177 total cpu time spent up to now is 289.0 secs Computing kpt #: 178 total cpu time spent up to now is 292.1 secs Computing kpt #: 179 total cpu time spent up to now is 295.1 secs Computing kpt #: 180 total cpu time spent up to now is 297.9 secs Computing kpt #: 181 total cpu time spent up to now is 300.6 secs Computing kpt #: 182 total cpu time spent up to now is 303.2 secs Computing kpt #: 183 total cpu time spent up to now is 305.6 secs Computing kpt #: 184 total cpu time spent up to now is 307.9 secs Computing kpt #: 185 total cpu time spent up to now is 310.4 secs Computing kpt #: 186 total cpu time spent up to now is 312.9 secs Computing kpt #: 187 total cpu time spent up to now is 315.3 secs Computing kpt #: 188 total cpu time spent up to now is 317.7 secs Computing kpt #: 189 total cpu time spent up to now is 320.1 secs Computing kpt #: 190 total cpu time spent up to now is 322.5 secs Computing kpt #: 191 total cpu time spent up to now is 325.0 secs Computing kpt #: 192 total cpu time spent up to now is 327.0 secs Computing kpt #: 193 total cpu time spent up to now is 329.4 secs Computing kpt #: 194 total cpu time spent up to now is 331.9 secs Computing kpt #: 195 total cpu time spent up to now is 334.3 secs Computing kpt #: 196 total cpu time spent up to now is 336.7 secs Computing kpt #: 197 total cpu time spent up to now is 338.7 secs Computing kpt #: 198 total cpu time spent up to now is 340.7 secs Computing kpt #: 199 total cpu time spent up to now is 342.4 secs Computing kpt #: 200 total cpu time spent up to now is 344.3 secs Computing kpt #: 201 total cpu time spent up to now is 346.1 secs Computing kpt #: 202 total cpu time spent up to now is 347.8 secs Computing kpt #: 203 total cpu time spent up to now is 349.4 secs Computing kpt #: 204 total cpu time spent up to now is 350.9 secs Computing kpt #: 205 total cpu time spent up to now is 352.3 secs Computing kpt #: 206 total cpu time spent up to now is 354.4 secs Computing kpt #: 207 total cpu time spent up to now is 356.4 secs Computing kpt #: 208 total cpu time spent up to now is 358.4 secs Computing kpt #: 209 total cpu time spent up to now is 359.9 secs Computing kpt #: 210 total cpu time spent up to now is 361.4 secs Computing kpt #: 211 total cpu time spent up to now is 362.9 secs Computing kpt #: 212 total cpu time spent up to now is 364.4 secs Computing kpt #: 213 total cpu time spent up to now is 366.0 secs Computing kpt #: 214 total cpu time spent up to now is 367.3 secs Computing kpt #: 215 total cpu time spent up to now is 368.5 secs Computing kpt #: 216 total cpu time spent up to now is 369.7 secs Computing kpt #: 217 total cpu time spent up to now is 370.9 secs Computing kpt #: 218 total cpu time spent up to now is 372.1 secs Computing kpt #: 219 total cpu time spent up to now is 373.3 secs Computing kpt #: 220 total cpu time spent up to now is 374.5 secs Computing kpt #: 221 total cpu time spent up to now is 375.9 secs Computing kpt #: 222 total cpu time spent up to now is 377.4 secs Computing kpt #: 223 total cpu time spent up to now is 378.7 secs Computing kpt #: 224 total cpu time spent up to now is 380.0 secs Computing kpt #: 225 total cpu time spent up to now is 381.3 secs Computing kpt #: 226 total cpu time spent up to now is 382.6 secs Computing kpt #: 227 total cpu time spent up to now is 383.8 secs Computing kpt #: 228 total cpu time spent up to now is 385.0 secs Computing kpt #: 229 total cpu time spent up to now is 386.3 secs Computing kpt #: 230 total cpu time spent up to now is 387.5 secs Computing kpt #: 231 total cpu time spent up to now is 388.7 secs Computing kpt #: 232 total cpu time spent up to now is 389.8 secs Computing kpt #: 233 total cpu time spent up to now is 391.2 secs Computing kpt #: 234 total cpu time spent up to now is 392.4 secs Computing kpt #: 235 total cpu time spent up to now is 393.7 secs Computing kpt #: 236 total cpu time spent up to now is 395.0 secs Computing kpt #: 237 total cpu time spent up to now is 396.1 secs Computing kpt #: 238 total cpu time spent up to now is 397.3 secs Computing kpt #: 239 total cpu time spent up to now is 398.5 secs Computing kpt #: 240 total cpu time spent up to now is 399.8 secs Computing kpt #: 241 total cpu time spent up to now is 400.9 secs Computing kpt #: 242 total cpu time spent up to now is 402.1 secs Computing kpt #: 243 total cpu time spent up to now is 403.3 secs Computing kpt #: 244 total cpu time spent up to now is 404.5 secs Computing kpt #: 245 total cpu time spent up to now is 405.7 secs Computing kpt #: 246 total cpu time spent up to now is 406.9 secs Computing kpt #: 247 total cpu time spent up to now is 408.2 secs Computing kpt #: 248 total cpu time spent up to now is 409.4 secs Computing kpt #: 249 total cpu time spent up to now is 410.6 secs Computing kpt #: 250 total cpu time spent up to now is 411.9 secs Computing kpt #: 251 total cpu time spent up to now is 413.1 secs Computing kpt #: 252 total cpu time spent up to now is 414.4 secs Computing kpt #: 253 total cpu time spent up to now is 415.6 secs Computing kpt #: 254 total cpu time spent up to now is 416.8 secs Computing kpt #: 255 total cpu time spent up to now is 418.2 secs Computing kpt #: 256 total cpu time spent up to now is 419.5 secs Computing kpt #: 257 total cpu time spent up to now is 420.8 secs Computing kpt #: 258 total cpu time spent up to now is 422.0 secs Computing kpt #: 259 total cpu time spent up to now is 423.3 secs Computing kpt #: 260 total cpu time spent up to now is 424.5 secs Computing kpt #: 261 total cpu time spent up to now is 425.8 secs Computing kpt #: 262 total cpu time spent up to now is 427.1 secs Computing kpt #: 263 total cpu time spent up to now is 428.6 secs Computing kpt #: 264 total cpu time spent up to now is 430.3 secs Computing kpt #: 265 total cpu time spent up to now is 431.6 secs Computing kpt #: 266 total cpu time spent up to now is 433.0 secs Computing kpt #: 267 total cpu time spent up to now is 434.4 secs Computing kpt #: 268 total cpu time spent up to now is 436.1 secs Computing kpt #: 269 total cpu time spent up to now is 437.9 secs Computing kpt #: 270 total cpu time spent up to now is 440.0 secs Computing kpt #: 271 total cpu time spent up to now is 442.1 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.4 secs Computing kpt #: 273 total cpu time spent up to now is 447.5 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.9 secs Computing kpt #: 275 total cpu time spent up to now is 453.5 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.5 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 459.4 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.6 secs Computing kpt #: 279 total cpu time spent up to now is 464.7 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.9 secs Computing kpt #: 281 total cpu time spent up to now is 470.7 secs Computing kpt #: 282 total cpu time spent up to now is 472.6 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 476.3 secs Computing kpt #: 285 total cpu time spent up to now is 478.1 secs Computing kpt #: 286 total cpu time spent up to now is 479.7 secs Computing kpt #: 287 total cpu time spent up to now is 481.4 secs Computing kpt #: 288 total cpu time spent up to now is 483.3 secs Computing kpt #: 289 total cpu time spent up to now is 484.7 secs Computing kpt #: 290 total cpu time spent up to now is 486.3 secs Computing kpt #: 291 total cpu time spent up to now is 488.1 secs Computing kpt #: 292 total cpu time spent up to now is 489.7 secs Computing kpt #: 293 total cpu time spent up to now is 490.9 secs Computing kpt #: 294 total cpu time spent up to now is 492.2 secs Computing kpt #: 295 total cpu time spent up to now is 493.5 secs Computing kpt #: 296 total cpu time spent up to now is 494.8 secs Computing kpt #: 297 total cpu time spent up to now is 496.4 secs Computing kpt #: 298 total cpu time spent up to now is 498.0 secs Computing kpt #: 299 total cpu time spent up to now is 499.3 secs Computing kpt #: 300 total cpu time spent up to now is 500.5 secs Computing kpt #: 301 total cpu time spent up to now is 501.8 secs Computing kpt #: 302 total cpu time spent up to now is 503.0 secs Computing kpt #: 303 total cpu time spent up to now is 504.2 secs Computing kpt #: 304 total cpu time spent up to now is 505.4 secs Computing kpt #: 305 total cpu time spent up to now is 506.6 secs Computing kpt #: 306 total cpu time spent up to now is 507.9 secs Computing kpt #: 307 total cpu time spent up to now is 509.1 secs Computing kpt #: 308 total cpu time spent up to now is 510.2 secs Computing kpt #: 309 total cpu time spent up to now is 511.7 secs Computing kpt #: 310 total cpu time spent up to now is 513.1 secs Computing kpt #: 311 total cpu time spent up to now is 514.2 secs Computing kpt #: 312 total cpu time spent up to now is 515.4 secs Computing kpt #: 313 total cpu time spent up to now is 516.7 secs Computing kpt #: 314 total cpu time spent up to now is 518.0 secs Computing kpt #: 315 total cpu time spent up to now is 519.2 secs Computing kpt #: 316 total cpu time spent up to now is 520.4 secs Computing kpt #: 317 total cpu time spent up to now is 521.7 secs Computing kpt #: 318 total cpu time spent up to now is 522.8 secs Computing kpt #: 319 total cpu time spent up to now is 524.0 secs Computing kpt #: 320 total cpu time spent up to now is 525.2 secs Computing kpt #: 321 total cpu time spent up to now is 526.4 secs Computing kpt #: 322 total cpu time spent up to now is 527.6 secs Computing kpt #: 323 total cpu time spent up to now is 528.7 secs Computing kpt #: 324 total cpu time spent up to now is 529.8 secs Computing kpt #: 325 total cpu time spent up to now is 530.9 secs Computing kpt #: 326 total cpu time spent up to now is 532.1 secs Computing kpt #: 327 total cpu time spent up to now is 533.1 secs Computing kpt #: 328 total cpu time spent up to now is 534.1 secs Computing kpt #: 329 total cpu time spent up to now is 535.1 secs Computing kpt #: 330 total cpu time spent up to now is 536.4 secs Computing kpt #: 331 total cpu time spent up to now is 537.4 secs Computing kpt #: 332 total cpu time spent up to now is 538.4 secs Computing kpt #: 333 total cpu time spent up to now is 539.4 secs Computing kpt #: 334 total cpu time spent up to now is 540.4 secs Computing kpt #: 335 total cpu time spent up to now is 541.6 secs Computing kpt #: 336 total cpu time spent up to now is 542.6 secs Computing kpt #: 337 total cpu time spent up to now is 543.6 secs Computing kpt #: 338 total cpu time spent up to now is 544.6 secs Computing kpt #: 339 total cpu time spent up to now is 545.6 secs Computing kpt #: 340 total cpu time spent up to now is 546.6 secs Computing kpt #: 341 total cpu time spent up to now is 547.6 secs Computing kpt #: 342 total cpu time spent up to now is 548.8 secs Computing kpt #: 343 total cpu time spent up to now is 550.0 secs Computing kpt #: 344 total cpu time spent up to now is 551.2 secs Computing kpt #: 345 total cpu time spent up to now is 552.5 secs Computing kpt #: 346 total cpu time spent up to now is 553.7 secs Computing kpt #: 347 total cpu time spent up to now is 555.0 secs Computing kpt #: 348 total cpu time spent up to now is 556.2 secs Computing kpt #: 349 total cpu time spent up to now is 557.4 secs Computing kpt #: 350 total cpu time spent up to now is 558.8 secs Computing kpt #: 351 total cpu time spent up to now is 560.3 secs Computing kpt #: 352 total cpu time spent up to now is 561.9 secs Computing kpt #: 353 total cpu time spent up to now is 563.5 secs Computing kpt #: 354 total cpu time spent up to now is 565.0 secs Computing kpt #: 355 total cpu time spent up to now is 566.6 secs Computing kpt #: 356 total cpu time spent up to now is 568.3 secs Computing kpt #: 357 total cpu time spent up to now is 570.1 secs Computing kpt #: 358 total cpu time spent up to now is 571.9 secs Computing kpt #: 359 total cpu time spent up to now is 573.9 secs Computing kpt #: 360 total cpu time spent up to now is 575.9 secs Computing kpt #: 361 total cpu time spent up to now is 577.9 secs Computing kpt #: 362 total cpu time spent up to now is 580.1 secs Computing kpt #: 363 total cpu time spent up to now is 582.5 secs Computing kpt #: 364 total cpu time spent up to now is 585.0 secs Computing kpt #: 365 total cpu time spent up to now is 587.6 secs Computing kpt #: 366 total cpu time spent up to now is 590.5 secs Computing kpt #: 367 total cpu time spent up to now is 593.5 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.7 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.8 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.0 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 606.2 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.4 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.6 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.7 secs Computing kpt #: 375 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.9 secs Computing kpt #: 376 total cpu time spent up to now is 622.0 secs Computing kpt #: 377 total cpu time spent up to now is 624.7 secs Computing kpt #: 378 total cpu time spent up to now is 627.7 secs Computing kpt #: 379 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 630.6 secs Computing kpt #: 380 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 633.7 secs Computing kpt #: 381 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.8 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.0 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.2 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.3 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.5 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 652.7 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.7 secs Computing kpt #: 388 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 660.7 secs Computing kpt #: 389 total cpu time spent up to now is 663.7 secs Computing kpt #: 390 total cpu time spent up to now is 666.4 secs Computing kpt #: 391 total cpu time spent up to now is 668.8 secs Computing kpt #: 392 total cpu time spent up to now is 670.8 secs Computing kpt #: 393 total cpu time spent up to now is 673.0 secs Computing kpt #: 394 total cpu time spent up to now is 675.1 secs Computing kpt #: 395 total cpu time spent up to now is 677.1 secs Computing kpt #: 396 total cpu time spent up to now is 679.2 secs Computing kpt #: 397 total cpu time spent up to now is 681.2 secs Computing kpt #: 398 total cpu time spent up to now is 683.1 secs Computing kpt #: 399 total cpu time spent up to now is 684.8 secs Computing kpt #: 400 total cpu time spent up to now is 686.7 secs Computing kpt #: 401 total cpu time spent up to now is 688.4 secs Computing kpt #: 402 total cpu time spent up to now is 689.9 secs Computing kpt #: 403 total cpu time spent up to now is 691.5 secs Computing kpt #: 404 total cpu time spent up to now is 692.9 secs Computing kpt #: 405 total cpu time spent up to now is 694.3 secs Computing kpt #: 406 total cpu time spent up to now is 695.8 secs Computing kpt #: 407 total cpu time spent up to now is 697.1 secs Computing kpt #: 408 total cpu time spent up to now is 698.5 secs Computing kpt #: 409 total cpu time spent up to now is 699.6 secs Computing kpt #: 410 total cpu time spent up to now is 700.8 secs Computing kpt #: 411 total cpu time spent up to now is 701.8 secs Computing kpt #: 412 total cpu time spent up to now is 703.1 secs Computing kpt #: 413 total cpu time spent up to now is 704.2 secs Computing kpt #: 414 total cpu time spent up to now is 705.3 secs Computing kpt #: 415 total cpu time spent up to now is 706.4 secs Computing kpt #: 416 total cpu time spent up to now is 707.4 secs Computing kpt #: 417 total cpu time spent up to now is 708.4 secs Computing kpt #: 418 total cpu time spent up to now is 709.5 secs Computing kpt #: 419 total cpu time spent up to now is 710.6 secs Computing kpt #: 420 total cpu time spent up to now is 711.9 secs Computing kpt #: 421 total cpu time spent up to now is 713.1 secs Computing kpt #: 422 total cpu time spent up to now is 714.3 secs Computing kpt #: 423 total cpu time spent up to now is 715.5 secs Computing kpt #: 424 total cpu time spent up to now is 716.8 secs Computing kpt #: 425 total cpu time spent up to now is 718.0 secs Computing kpt #: 426 total cpu time spent up to now is 719.2 secs Computing kpt #: 427 total cpu time spent up to now is 720.5 secs Computing kpt #: 428 total cpu time spent up to now is 721.7 secs Computing kpt #: 429 total cpu time spent up to now is 722.9 secs Computing kpt #: 430 total cpu time spent up to now is 724.2 secs Computing kpt #: 431 total cpu time spent up to now is 725.4 secs Computing kpt #: 432 total cpu time spent up to now is 726.6 secs Computing kpt #: 433 total cpu time spent up to now is 727.9 secs Computing kpt #: 434 total cpu time spent up to now is 729.1 secs Computing kpt #: 435 total cpu time spent up to now is 730.3 secs Computing kpt #: 436 total cpu time spent up to now is 731.4 secs Computing kpt #: 437 total cpu time spent up to now is 732.6 secs Computing kpt #: 438 total cpu time spent up to now is 733.8 secs Computing kpt #: 439 total cpu time spent up to now is 735.2 secs Computing kpt #: 440 total cpu time spent up to now is 736.4 secs Computing kpt #: 441 total cpu time spent up to now is 737.7 secs Computing kpt #: 442 total cpu time spent up to now is 739.0 secs Computing kpt #: 443 total cpu time spent up to now is 740.4 secs Computing kpt #: 444 total cpu time spent up to now is 741.5 secs Computing kpt #: 445 total cpu time spent up to now is 743.0 secs Computing kpt #: 446 total cpu time spent up to now is 744.3 secs Computing kpt #: 447 total cpu time spent up to now is 745.6 secs Computing kpt #: 448 total cpu time spent up to now is 746.9 secs Computing kpt #: 449 total cpu time spent up to now is 748.3 secs Computing kpt #: 450 total cpu time spent up to now is 749.7 secs Computing kpt #: 451 total cpu time spent up to now is 751.3 secs Computing kpt #: 452 total cpu time spent up to now is 752.9 secs Computing kpt #: 453 total cpu time spent up to now is 754.5 secs Computing kpt #: 454 total cpu time spent up to now is 755.8 secs Computing kpt #: 455 total cpu time spent up to now is 757.3 secs Computing kpt #: 456 total cpu time spent up to now is 758.9 secs Computing kpt #: 457 total cpu time spent up to now is 760.6 secs Computing kpt #: 458 total cpu time spent up to now is 762.5 secs Computing kpt #: 459 total cpu time spent up to now is 764.3 secs Computing kpt #: 460 total cpu time spent up to now is 766.1 secs Computing kpt #: 461 total cpu time spent up to now is 768.1 secs Computing kpt #: 462 total cpu time spent up to now is 770.3 secs Computing kpt #: 463 total cpu time spent up to now is 772.2 secs Computing kpt #: 464 total cpu time spent up to now is 774.3 secs Computing kpt #: 465 total cpu time spent up to now is 776.6 secs Computing kpt #: 466 total cpu time spent up to now is 778.9 secs Computing kpt #: 467 total cpu time spent up to now is 781.6 secs Computing kpt #: 468 total cpu time spent up to now is 784.1 secs Computing kpt #: 469 total cpu time spent up to now is 786.9 secs Computing kpt #: 470 total cpu time spent up to now is 789.5 secs Computing kpt #: 471 total cpu time spent up to now is 792.1 secs Computing kpt #: 472 total cpu time spent up to now is 794.6 secs Computing kpt #: 473 total cpu time spent up to now is 797.3 secs Computing kpt #: 474 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 800.3 secs Computing kpt #: 475 total cpu time spent up to now is 803.1 secs Computing kpt #: 476 total cpu time spent up to now is 806.1 secs ethr = 2.50E-11, avg # of iterations = 42.8 total cpu time spent up to now is 806.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0593 -46.0593 -22.7613 -22.7613 -22.1193 -22.1193 -22.0892 -22.0892 -14.4331 -14.4331 -6.5267 -6.5267 -5.8923 -5.8923 -5.8308 -5.8308 -0.9726 -0.9726 0.9397 0.9397 0.9484 0.9484 7.9359 7.9359 8.1454 8.1454 8.1649 8.1649 9.0296 9.0296 9.0471 9.0471 9.2146 9.2146 9.8852 9.8852 9.9940 9.9940 10.0463 10.0463 12.4198 12.4198 12.5312 12.5312 12.6295 12.6295 14.5839 14.5839 k = 0.0089 0.0089-0.0000 ( 2777 PWs) bands (ev): -46.0592 -46.0592 -22.7614 -22.7613 -22.1194 -22.1193 -22.0892 -22.0892 -14.4330 -14.4329 -6.5268 -6.5266 -5.8925 -5.8920 -5.8308 -5.8307 -0.9725 -0.9719 0.9393 0.9410 0.9484 0.9490 7.9324 7.9371 8.1405 8.1467 8.1633 8.1651 9.0267 9.0284 9.0448 9.0461 9.2117 9.2141 9.8747 9.8925 9.9904 9.9920 10.0379 10.0549 12.4204 12.4217 12.5324 12.5338 12.6301 12.6320 14.5850 14.5853 k = 0.0178 0.0179-0.0000 ( 2779 PWs) bands (ev): -46.0592 -46.0592 -22.7615 -22.7614 -22.1196 -22.1194 -22.0893 -22.0892 -14.4324 -14.4324 -6.5270 -6.5265 -5.8927 -5.8917 -5.8309 -5.8305 -0.9717 -0.9706 0.9399 0.9433 0.9492 0.9503 7.9265 7.9360 8.1320 8.1442 8.1603 8.1637 9.0197 9.0232 9.0392 9.0416 9.2059 9.2105 9.8607 9.8965 9.9791 9.9865 10.0318 10.0617 12.4234 12.4260 12.5372 12.5399 12.6338 12.6376 14.5885 14.5890 k = 0.0267 0.0268-0.0000 ( 2773 PWs) bands (ev): -46.0592 -46.0592 -22.7616 -22.7614 -22.1198 -22.1195 -22.0893 -22.0892 -14.4315 -14.4315 -6.5271 -6.5264 -5.8928 -5.8912 -5.8309 -5.8303 -0.9702 -0.9685 0.9411 0.9458 0.9513 0.9525 7.9182 7.9325 8.1200 8.1380 8.1560 8.1607 9.0081 9.0136 9.0304 9.0336 9.1977 9.2045 9.8433 9.8976 9.9602 9.9785 10.0276 10.0659 12.4290 12.4328 12.5457 12.5497 12.6407 12.6463 14.5943 14.5951 k = 0.0356 0.0357-0.0000 ( 2765 PWs) bands (ev): -46.0592 -46.0592 -22.7617 -22.7615 -22.1201 -22.1197 -22.0893 -22.0892 -14.4303 -14.4303 -6.5272 -6.5263 -5.8928 -5.8908 -5.8308 -5.8301 -0.9681 -0.9658 0.9427 0.9477 0.9556 0.9561 7.9072 7.9265 8.1046 8.1283 8.1505 8.1562 8.9914 8.9991 9.0185 9.0221 9.1885 9.1970 9.8224 9.8957 9.9354 9.9685 10.0235 10.0670 12.4371 12.4420 12.5577 12.5628 12.6507 12.6581 14.6024 14.6034 k = 0.0445 0.0446-0.0000 ( 2765 PWs) bands (ev): -46.0592 -46.0592 -22.7620 -22.7617 -22.1205 -22.1200 -22.0894 -22.0893 -14.4287 -14.4287 -6.5273 -6.5262 -5.8928 -5.8902 -5.8307 -5.8297 -0.9652 -0.9624 0.9443 0.9491 0.9611 0.9618 7.8934 7.9176 8.0862 8.1155 8.1436 8.1502 8.9692 8.9792 9.0036 9.0071 9.1792 9.1890 9.7980 9.8911 9.9059 9.9568 10.0182 10.0647 12.4478 12.4536 12.5731 12.5792 12.6639 12.6730 14.6127 14.6139 k = 0.0534 0.0536-0.0000 ( 2765 PWs) bands (ev): -46.0592 -46.0592 -22.7623 -22.7619 -22.1209 -22.1204 -22.0896 -22.0894 -14.4268 -14.4268 -6.5275 -6.5261 -5.8927 -5.8896 -5.8304 -5.8293 -0.9618 -0.9584 0.9459 0.9506 0.9675 0.9695 7.8765 7.9056 8.0651 8.0998 8.1354 8.1428 8.9414 8.9535 8.9857 8.9890 9.1709 9.1813 9.7702 9.8721 9.8842 9.9435 10.0112 10.0592 12.4610 12.4676 12.5917 12.5986 12.6804 12.6909 14.6251 14.6265 k = 0.0623 0.0625-0.0000 ( 2769 PWs) bands (ev): -46.0592 -46.0592 -22.7626 -22.7622 -22.1215 -22.1209 -22.0897 -22.0895 -14.4246 -14.4245 -6.5276 -6.5260 -5.8925 -5.8890 -5.8300 -5.8287 -0.9578 -0.9539 0.9476 0.9522 0.9753 0.9783 7.8562 7.8899 8.0418 8.0815 8.1259 8.1341 8.9082 8.9220 8.9651 8.9681 9.1640 9.1746 9.7392 9.8351 9.8746 9.9286 10.0021 10.0505 12.4768 12.4841 12.6134 12.6209 12.7000 12.7119 14.6394 14.6409 k = 0.0712 0.0714-0.0000 ( 2777 PWs) bands (ev): -46.0592 -46.0592 -22.7630 -22.7626 -22.1222 -22.1215 -22.0899 -22.0897 -14.4221 -14.4220 -6.5277 -6.5259 -5.8923 -5.8883 -5.8295 -5.8280 -0.9533 -0.9488 0.9494 0.9540 0.9842 0.9883 7.8324 7.8701 8.0168 8.0607 8.1154 8.1241 8.8701 8.8853 8.9419 8.9446 9.1587 9.1689 9.7053 9.7948 9.8629 9.9120 9.9908 10.0388 12.4951 12.5029 12.6379 12.6460 12.7228 12.7359 14.6555 14.6572 k = 0.0801 0.0804-0.0000 ( 2763 PWs) bands (ev): -46.0591 -46.0591 -22.7633 -22.7629 -22.1228 -22.1220 -22.0900 -22.0898 -14.4192 -14.4191 -6.5278 -6.5258 -5.8920 -5.8875 -5.8287 -5.8271 -0.9483 -0.9433 0.9512 0.9560 0.9943 0.9992 7.8050 7.8456 7.9907 8.0377 8.1038 8.1130 8.8277 8.8441 8.9163 8.9188 9.1547 9.1645 9.6688 9.7516 9.8491 9.8939 9.9774 10.0244 12.5159 12.5241 12.6650 12.6735 12.7486 12.7628 14.6732 14.6750 k = 0.0890 0.0893-0.0000 ( 2767 PWs) bands (ev): -46.0591 -46.0591 -22.7638 -22.7633 -22.1236 -22.1227 -22.0902 -22.0900 -14.4161 -14.4160 -6.5279 -6.5257 -5.8916 -5.8868 -5.8277 -5.8259 -0.9429 -0.9374 0.9533 0.9582 1.0052 1.0110 7.7738 7.8163 7.9637 8.0124 8.0914 8.1010 8.7819 8.7994 8.8884 8.8908 9.1520 9.1612 9.6298 9.7059 9.8334 9.8743 9.9622 10.0077 12.5390 12.5475 12.6945 12.7034 12.7773 12.7924 14.6923 14.6942 k = 0.0979 0.0982-0.0000 ( 2771 PWs) bands (ev): -46.0591 -46.0591 -22.7643 -22.7638 -22.1244 -22.1235 -22.0904 -22.0902 -14.4126 -14.4125 -6.5279 -6.5255 -5.8911 -5.8859 -5.8264 -5.8246 -0.9371 -0.9312 0.9554 0.9606 1.0170 1.0234 7.7390 7.7820 7.9358 7.9849 8.0785 8.0882 8.7332 8.7517 8.8586 8.8608 9.1503 9.1588 9.5889 9.6581 9.8159 9.8530 9.9454 9.9892 12.5644 12.5732 12.7263 12.7353 12.8089 12.8247 14.7127 14.7147 k = 0.1068 0.1071-0.0000 ( 2775 PWs) bands (ev): -46.0590 -46.0590 -22.7649 -22.7643 -22.1254 -22.1244 -22.0907 -22.0904 -14.4089 -14.4088 -6.5278 -6.5253 -5.8906 -5.8851 -5.8249 -5.8229 -0.9311 -0.9247 0.9577 0.9632 1.0294 1.0364 7.7007 7.7432 7.9068 7.9550 8.0651 8.0748 8.6823 8.7020 8.8268 8.8290 9.1494 9.1573 9.5462 9.6085 9.7968 9.8303 9.9273 9.9693 12.5920 12.6010 12.7599 12.7692 12.8430 12.8595 14.7342 14.7363 k = 0.1157 0.1161-0.0000 ( 2765 PWs) bands (ev): -46.0590 -46.0590 -22.7654 -22.7648 -22.1263 -22.1252 -22.0909 -22.0905 -14.4050 -14.4049 -6.5277 -6.5250 -5.8901 -5.8842 -5.8230 -5.8209 -0.9248 -0.9181 0.9602 0.9659 1.0422 1.0499 7.6593 7.7004 7.8764 7.9227 8.0513 8.0610 8.6297 8.6505 8.7936 8.7956 9.1492 9.1566 9.5022 9.5577 9.7762 9.8061 9.9085 9.9486 12.6217 12.6308 12.7954 12.8047 12.8796 12.8965 14.7567 14.7587 k = 0.1246 0.1250-0.0000 ( 2765 PWs) bands (ev): -46.0590 -46.0590 -22.7660 -22.7653 -22.1273 -22.1261 -22.0911 -22.0908 -14.4008 -14.4007 -6.5274 -6.5246 -5.8894 -5.8833 -5.8208 -5.8186 -0.9184 -0.9113 0.9628 0.9688 1.0554 1.0636 7.6150 7.6543 7.8440 7.8879 8.0373 8.0469 8.5759 8.5978 8.7588 8.7609 9.1494 9.1563 9.4574 9.5062 9.7542 9.7805 9.8893 9.9276 12.6533 12.6625 12.8324 12.8417 12.9184 12.9356 14.7799 14.7820 k = 0.1335 0.1339-0.0000 ( 2759 PWs) bands (ev): -46.0589 -46.0589 -22.7666 -22.7659 -22.1283 -22.1271 -22.0914 -22.0910 -14.3964 -14.3963 -6.5270 -6.5241 -5.8887 -5.8823 -5.8182 -5.8160 -0.9119 -0.9045 0.9655 0.9719 1.0688 1.0773 7.5682 7.6054 7.8094 7.8505 8.0231 8.0327 8.5213 8.5442 8.7229 8.7249 9.1498 9.1562 9.4124 9.4546 9.7309 9.7537 9.8702 9.9067 12.6868 12.6961 12.8707 12.8800 12.9591 12.9766 14.8037 14.8058 k = 0.1424 0.1429-0.0000 ( 2759 PWs) bands (ev): -46.0589 -46.0589 -22.7673 -22.7665 -22.1294 -22.1282 -22.0916 -22.0913 -14.3919 -14.3917 -6.5264 -6.5233 -5.8880 -5.8813 -5.8154 -5.8131 -0.9054 -0.8976 0.9683 0.9751 1.0822 1.0910 7.5194 7.5543 7.7723 7.8105 8.0088 8.0184 8.4660 8.4898 8.6860 8.6879 9.1498 9.1558 9.3679 9.4039 9.7064 9.7258 9.8517 9.8866 12.7220 12.7313 12.9101 12.9194 13.0017 13.0192 14.8280 14.8300 k = 0.1513 0.1518-0.0000 ( 2763 PWs) bands (ev): -46.0588 -46.0588 -22.7680 -22.7672 -22.1306 -22.1293 -22.0920 -22.0915 -14.3871 -14.3870 -6.5255 -6.5224 -5.8871 -5.8803 -5.8121 -5.8098 -0.8989 -0.8908 0.9713 0.9784 1.0954 1.1045 7.4688 7.5015 7.7328 7.7681 7.9943 8.0041 8.4103 8.4347 8.6482 8.6501 9.1486 9.1541 9.3256 9.3555 9.6806 9.6968 9.8342 9.8675 12.7588 12.7681 12.9505 12.9598 13.0458 13.0633 14.8526 14.8546 k = 0.1602 0.1607-0.0000 ( 2762 PWs) bands (ev): -46.0588 -46.0588 -22.7687 -22.7679 -22.1318 -22.1304 -22.0922 -22.0918 -14.3822 -14.3821 -6.5244 -6.5212 -5.8863 -5.8792 -5.8086 -5.8062 -0.8925 -0.8841 0.9743 0.9819 1.1083 1.1176 7.4170 7.4475 7.6908 7.7233 7.9796 7.9898 8.3543 8.3791 8.6098 8.6117 9.1444 9.1490 9.2877 9.3117 9.6535 9.6670 9.8181 9.8498 12.7971 12.8063 12.9917 13.0009 13.0912 13.1086 14.8774 14.8793 k = 0.1692 0.1696-0.0000 ( 2758 PWs) bands (ev): -46.0587 -46.0587 -22.7695 -22.7686 -22.1331 -22.1316 -22.0925 -22.0921 -14.3771 -14.3770 -6.5230 -6.5197 -5.8853 -5.8781 -5.8048 -5.8024 -0.8863 -0.8776 0.9773 0.9854 1.1208 1.1301 7.3643 7.3927 7.6465 7.6764 7.9647 7.9755 8.2981 8.3229 8.5709 8.5727 9.1343 9.1371 9.2584 9.2758 9.6253 9.6363 9.8038 9.8339 12.8367 12.8458 13.0335 13.0425 13.1378 13.1550 14.9022 14.9041 k = 0.1781 0.1786-0.0000 ( 2754 PWs) bands (ev): -46.0587 -46.0587 -22.7702 -22.7693 -22.1343 -22.1328 -22.0928 -22.0924 -14.3720 -14.3718 -6.5212 -6.5179 -5.8844 -5.8770 -5.8007 -5.7982 -0.8802 -0.8713 0.9804 0.9890 1.1326 1.1419 7.3109 7.3374 7.6001 7.6274 7.9495 7.9613 8.2417 8.2660 8.5317 8.5335 9.1148 9.1153 9.2409 9.2519 9.5959 9.6047 9.7916 9.8199 12.8775 12.8865 13.0757 13.0846 13.1854 13.2023 14.9269 14.9288 k = 0.1870 0.1875-0.0000 ( 2752 PWs) bands (ev): -46.0586 -46.0586 -22.7710 -22.7700 -22.1356 -22.1340 -22.0931 -22.0927 -14.3667 -14.3666 -6.5190 -6.5156 -5.8833 -5.8759 -5.7963 -5.7939 -0.8744 -0.8653 0.9835 0.9926 1.1437 1.1528 7.2573 7.2820 7.5518 7.5767 7.9339 7.9471 8.1853 8.2083 8.4922 8.4940 9.0855 9.0863 9.2341 9.2402 9.5654 9.5725 9.7816 9.8082 12.9193 12.9282 13.1182 13.1270 13.2337 13.2504 14.9515 14.9533 k = 0.1959 0.1964-0.0000 ( 2748 PWs) bands (ev): -46.0586 -46.0586 -22.7718 -22.7708 -22.1369 -22.1353 -22.0935 -22.0930 -14.3614 -14.3612 -6.5164 -6.5129 -5.8823 -5.8747 -5.7918 -5.7893 -0.8688 -0.8596 0.9866 0.9963 1.1540 1.1629 7.2037 7.2267 7.5018 7.5245 7.9176 7.9328 8.1290 8.1498 8.4528 8.4544 9.0521 9.0529 9.2341 9.2371 9.5339 9.5396 9.7740 9.7988 12.9620 12.9708 13.1608 13.1695 13.2826 13.2990 14.9758 14.9775 k = 0.2048 0.2054-0.0000 ( 2744 PWs) bands (ev): -46.0585 -46.0585 -22.7726 -22.7715 -22.1382 -22.1366 -22.0938 -22.0933 -14.3560 -14.3559 -6.5132 -6.5097 -5.8811 -5.8735 -5.7871 -5.7846 -0.8636 -0.8542 0.9896 0.9999 1.1633 1.1718 7.1504 7.1718 7.4505 7.4711 7.9001 7.9186 8.0732 8.0903 8.4133 8.4150 9.0185 9.0188 9.2378 9.2388 9.5015 9.5061 9.7688 9.7917 13.0056 13.0142 13.2034 13.2120 13.3320 13.3480 14.9997 15.0013 k = 0.2137 0.2143-0.0000 ( 2736 PWs) bands (ev): -46.0585 -46.0585 -22.7733 -22.7723 -22.1396 -22.1379 -22.0941 -22.0936 -14.3506 -14.3504 -6.5095 -6.5059 -5.8800 -5.8723 -5.7824 -5.7798 -0.8587 -0.8492 0.9925 1.0035 1.1716 1.1796 7.0975 7.1174 7.3980 7.4167 7.8805 7.9043 8.0188 8.0299 8.3741 8.3757 8.9865 8.9868 9.2434 9.2437 9.4684 9.4721 9.7660 9.7871 13.0497 13.0582 13.2459 13.2543 13.3818 13.3973 15.0231 15.0247 k = 0.2226 0.2232-0.0000 ( 2740 PWs) bands (ev): -46.0584 -46.0584 -22.7742 -22.7731 -22.1410 -22.1393 -22.0944 -22.0939 -14.3451 -14.3450 -6.5051 -6.5016 -5.8788 -5.8710 -5.7776 -5.7750 -0.8542 -0.8446 0.9953 1.0069 1.1788 1.1863 7.0452 7.0638 7.3448 7.3617 7.8566 7.8898 7.9681 7.9687 8.3352 8.3368 8.9574 8.9582 9.2495 9.2510 9.4347 9.4378 9.7657 9.7850 13.0944 13.1027 13.2881 13.2964 13.4316 13.4468 15.0461 15.0476 k = 0.2315 0.2321-0.0000 ( 2746 PWs) bands (ev): -46.0584 -46.0584 -22.7751 -22.7740 -22.1424 -22.1407 -22.0948 -22.0943 -14.3397 -14.3396 -6.5001 -6.4965 -5.8776 -5.8698 -5.7728 -5.7702 -0.8500 -0.8404 0.9978 1.0102 1.1849 1.1918 6.9937 7.0111 7.2910 7.3062 7.8244 7.8741 7.9078 7.9248 8.2967 8.2983 8.9324 8.9335 9.2566 9.2590 9.4007 9.4032 9.7676 9.7851 13.1394 13.1476 13.3300 13.3381 13.4815 13.4962 15.0685 15.0699 k = 0.2404 0.2411-0.0000 ( 2746 PWs) bands (ev): -46.0583 -46.0583 -22.7759 -22.7748 -22.1438 -22.1420 -22.0951 -22.0946 -14.3343 -14.3342 -6.4944 -6.4908 -5.8764 -5.8685 -5.7682 -5.7655 -0.8463 -0.8367 1.0001 1.0132 1.1900 1.1960 6.9432 6.9594 7.2369 7.2506 7.7811 7.8377 7.8666 7.8920 8.2588 8.2603 8.9121 8.9131 9.2640 9.2673 9.3668 9.3689 9.7718 9.7876 13.1847 13.1927 13.3714 13.3793 13.5313 13.5455 15.0902 15.0915 k = 0.2493 0.2500-0.0000 ( 2738 PWs) bands (ev): -46.0583 -46.0583 -22.7767 -22.7756 -22.1451 -22.1434 -22.0954 -22.0949 -14.3289 -14.3288 -6.4880 -6.4844 -5.8751 -5.8672 -5.7637 -5.7610 -0.8431 -0.8334 1.0020 1.0160 1.1940 1.1992 6.8936 6.9088 7.1827 7.1950 7.7288 7.7757 7.8504 7.8678 8.2214 8.2229 8.8969 8.8975 9.2705 9.2747 9.3340 9.3359 9.7781 9.7922 13.2300 13.2378 13.4121 13.4199 13.5809 13.5946 15.1112 15.1125 k = 0.2582 0.2589-0.0000 ( 2746 PWs) bands (ev): -46.0582 -46.0582 -22.7776 -22.7765 -22.1465 -22.1448 -22.0958 -22.0953 -14.3236 -14.3235 -6.4809 -6.4773 -5.8738 -5.8659 -5.7594 -5.7567 -0.8403 -0.8306 1.0034 1.0183 1.1970 1.2013 6.8452 6.8594 7.1288 7.1397 7.6714 7.7113 7.8362 7.8482 8.1847 8.1861 8.8868 8.8869 9.2707 9.2749 9.3077 9.3104 9.7863 9.7989 13.2753 13.2829 13.4523 13.4598 13.6301 13.6433 15.1315 15.1327 k = 0.2671 0.2679-0.0000 ( 2742 PWs) bands (ev): -46.0582 -46.0582 -22.7784 -22.7773 -22.1479 -22.1461 -22.0961 -22.0956 -14.3184 -14.3183 -6.4729 -6.4693 -5.8725 -5.8646 -5.7554 -5.7527 -0.8379 -0.8282 1.0044 1.0202 1.1993 1.2024 6.7980 6.8113 7.0751 7.0848 7.6113 7.6462 7.8224 7.8311 8.1488 8.1502 8.8812 8.8819 9.2505 9.2530 9.3022 9.3074 9.7964 9.8075 13.3204 13.3278 13.4916 13.4990 13.6788 13.6915 15.1510 15.1521 k = 0.2760 0.2768-0.0000 ( 2742 PWs) bands (ev): -46.0581 -46.0581 -22.7792 -22.7782 -22.1492 -22.1475 -22.0964 -22.0959 -14.3133 -14.3131 -6.4641 -6.4606 -5.8712 -5.8633 -5.7518 -5.7491 -0.8360 -0.8264 1.0048 1.0215 1.2007 1.2028 6.7521 6.7646 7.0221 7.0307 7.5500 7.5809 7.8088 7.8154 8.1137 8.1151 8.8806 8.8822 9.2190 9.2208 9.3083 9.3150 9.8082 9.8178 13.3652 13.3724 13.5301 13.5373 13.7269 13.7391 15.1697 15.1707 k = 0.2849 0.2857-0.0000 ( 2746 PWs) bands (ev): -46.0581 -46.0581 -22.7801 -22.7790 -22.1506 -22.1489 -22.0967 -22.0962 -14.3082 -14.3081 -6.4546 -6.4510 -5.8699 -5.8620 -5.7487 -5.7459 -0.8345 -0.8250 1.0044 1.0220 1.2016 1.2025 6.7075 6.7192 6.9699 6.9774 7.4881 7.5157 7.7955 7.8006 8.0796 8.0809 8.8849 8.8875 9.1855 9.1871 9.3167 9.3247 9.8215 9.8296 13.4096 13.4165 13.5677 13.5747 13.7743 13.7860 15.1876 15.1885 k = 0.2938 0.2946-0.0000 ( 2738 PWs) bands (ev): -46.0580 -46.0580 -22.7808 -22.7798 -22.1519 -22.1502 -22.0970 -22.0965 -14.3033 -14.3032 -6.4442 -6.4406 -5.8686 -5.8607 -5.7460 -5.7432 -0.8335 -0.8241 1.0033 1.0217 1.2018 1.2021 6.6642 6.6752 6.9186 6.9251 7.4261 7.4509 7.7824 7.7864 8.0464 8.0477 8.8939 8.8976 9.1518 9.1532 9.3258 9.3351 9.8361 9.8429 13.4533 13.4601 13.6043 13.6111 13.8208 13.8320 15.2047 15.2055 k = 0.3027 0.3036-0.0000 ( 2734 PWs) bands (ev): -46.0580 -46.0580 -22.7816 -22.7806 -22.1532 -22.1515 -22.0973 -22.0968 -14.2985 -14.2984 -6.4330 -6.4295 -5.8673 -5.8594 -5.7439 -5.7411 -0.8328 -0.8236 1.0014 1.0206 1.2009 1.2023 6.6224 6.6326 6.8684 6.8740 7.3646 7.3868 7.7695 7.7728 8.0142 8.0156 8.9074 8.9123 9.1184 9.1197 9.3352 9.3457 9.8519 9.8574 13.4963 13.5029 13.6399 13.6465 13.8663 13.8770 15.2208 15.2216 k = 0.3116 0.3125-0.0000 ( 2738 PWs) bands (ev): -46.0579 -46.0579 -22.7824 -22.7814 -22.1544 -22.1528 -22.0976 -22.0971 -14.2939 -14.2938 -6.4210 -6.4175 -5.8660 -5.8581 -5.7425 -5.7396 -0.8327 -0.8236 0.9987 1.0184 1.2000 1.2024 6.5819 6.5915 6.8195 6.8242 7.3037 7.3236 7.7570 7.7596 7.9831 7.9845 8.9250 8.9312 9.0855 9.0868 9.3446 9.3564 9.8687 9.8730 13.5385 13.5448 13.6743 13.6807 13.9107 13.9208 15.2361 15.2368 k = 0.3205 0.3214-0.0000 ( 2736 PWs) bands (ev): -46.0579 -46.0579 -22.7832 -22.7821 -22.1557 -22.1540 -22.0978 -22.0974 -14.2894 -14.2894 -6.4082 -6.4047 -5.8647 -5.8569 -5.7417 -5.7387 -0.8329 -0.8240 0.9950 1.0151 1.1992 1.2025 6.5430 6.5518 6.7721 6.7760 7.2438 7.2617 7.7447 7.7469 7.9531 7.9545 8.9464 8.9540 9.0534 9.0546 9.3541 9.3672 9.8862 9.8894 13.5798 13.5858 13.7075 13.7137 13.9539 13.9635 15.2505 15.2512 k = 0.3294 0.3304-0.0000 ( 2732 PWs) bands (ev): -46.0578 -46.0578 -22.7839 -22.7829 -22.1568 -22.1553 -22.0981 -22.0976 -14.2851 -14.2851 -6.3946 -6.3912 -5.8635 -5.8557 -5.7416 -5.7386 -0.8334 -0.8248 0.9905 1.0108 1.1987 1.2027 6.5055 6.5136 6.7263 6.7294 7.1852 7.2012 7.7327 7.7346 7.9243 7.9257 8.9708 8.9801 9.0222 9.0237 9.3635 9.3780 9.9043 9.9065 13.6199 13.6257 13.7395 13.7454 13.9957 14.0048 15.2641 15.2646 k = 0.3383 0.3393-0.0000 ( 2734 PWs) bands (ev): -46.0578 -46.0578 -22.7846 -22.7836 -22.1580 -22.1565 -22.0984 -22.0979 -14.2810 -14.2810 -6.3804 -6.3770 -5.8622 -5.8545 -5.7424 -5.7393 -0.8343 -0.8260 0.9851 1.0055 1.1985 1.2031 6.4695 6.4769 6.6822 6.6845 7.1281 7.1424 7.7211 7.7227 7.8967 7.8981 8.9877 8.9906 9.0042 9.0106 9.3727 9.3887 9.9228 9.9241 13.6588 13.6644 13.7702 13.7759 14.0360 14.0446 15.2767 15.2772 k = 0.3472 0.3482-0.0000 ( 2734 PWs) bands (ev): -46.0577 -46.0577 -22.7853 -22.7843 -22.1591 -22.1576 -22.0986 -22.0982 -14.2771 -14.2770 -6.3655 -6.3622 -5.8611 -5.8533 -5.7439 -5.7408 -0.8355 -0.8274 0.9790 0.9991 1.1988 1.2038 6.4350 6.4418 6.6401 6.6416 7.0728 7.0855 7.7099 7.7113 7.8704 7.8717 8.9618 8.9620 9.0309 9.0419 9.3819 9.3995 9.9415 9.9420 13.6963 13.7017 13.7995 13.8050 14.0747 14.0828 15.2885 15.2889 k = 0.3561 0.3571-0.0000 ( 2734 PWs) bands (ev): -46.0577 -46.0577 -22.7859 -22.7850 -22.1602 -22.1587 -22.0988 -22.0984 -14.2733 -14.2733 -6.3499 -6.3467 -5.8599 -5.8522 -5.7462 -5.7430 -0.8370 -0.8292 0.9723 0.9920 1.1995 1.2047 6.4021 6.4082 6.5999 6.6008 7.0195 7.0308 7.6991 7.7004 7.8453 7.8467 8.9337 8.9341 9.0628 9.0759 9.3909 9.4102 9.9600 9.9603 13.7325 13.7375 13.8275 13.8327 14.1118 14.1193 15.2994 15.2998 k = 0.3650 0.3661-0.0000 ( 2730 PWs) bands (ev): -46.0576 -46.0576 -22.7865 -22.7857 -22.1611 -22.1598 -22.0990 -22.0987 -14.2698 -14.2698 -6.3338 -6.3307 -5.8588 -5.8512 -5.7494 -5.7461 -0.8387 -0.8312 0.9651 0.9842 1.2006 1.2059 6.3707 6.3761 6.5620 6.5621 6.9684 6.9783 7.6888 7.6900 7.8215 7.8229 8.9068 8.9073 9.0964 9.1114 9.3998 9.4209 9.9780 9.9790 13.7670 13.7718 13.8540 13.8590 14.1470 14.1541 15.3095 15.3098 k = 0.3739 0.3750-0.0000 ( 2736 PWs) bands (ev): -46.0576 -46.0576 -22.7871 -22.7863 -22.1621 -22.1608 -22.0993 -22.0989 -14.2665 -14.2664 -6.3173 -6.3142 -5.8578 -5.8502 -5.7535 -5.7500 -0.8405 -0.8334 0.9576 0.9759 1.2021 1.2073 6.3409 6.3456 6.5257 6.5263 6.9196 6.9283 7.6790 7.6802 7.7990 7.8004 8.8812 8.8817 9.1309 9.1479 9.4085 9.4316 9.9958 9.9973 13.7999 13.8045 13.8791 13.8838 14.1803 14.1869 15.3188 15.3190 k = 0.3828 0.3839-0.0000 ( 2734 PWs) bands (ev): -46.0576 -46.0576 -22.7877 -22.7869 -22.1630 -22.1618 -22.0995 -22.0991 -14.2634 -14.2633 -6.3004 -6.2974 -5.8568 -5.8492 -5.7583 -5.7548 -0.8425 -0.8358 0.9498 0.9673 1.2038 1.2089 6.3127 6.3167 6.4918 6.4930 6.8734 6.8809 7.6698 7.6709 7.7778 7.7792 8.8571 8.8575 9.1656 9.1847 9.4172 9.4423 10.0132 10.0152 13.8310 13.8353 13.9026 13.9071 14.2116 14.2177 15.3272 15.3274 k = 0.3917 0.3929-0.0000 ( 2736 PWs) bands (ev): -46.0575 -46.0575 -22.7882 -22.7875 -22.1639 -22.1627 -22.0997 -22.0993 -14.2604 -14.2604 -6.2833 -6.2803 -5.8560 -5.8483 -5.7639 -5.7602 -0.8446 -0.8383 0.9421 0.9585 1.2058 1.2107 6.2861 6.2894 6.4603 6.4622 6.8298 6.8362 7.6612 7.6623 7.7579 7.7594 8.8344 8.8348 9.1998 9.2213 9.4259 9.4532 10.0300 10.0324 13.8603 13.8643 13.9247 13.9289 14.2409 14.2465 15.3348 15.3350 k = 0.4006 0.4018-0.0000 ( 2746 PWs) bands (ev): -46.0575 -46.0575 -22.7887 -22.7881 -22.1647 -22.1636 -22.0999 -22.0996 -14.2578 -14.2577 -6.2661 -6.2632 -5.8552 -5.8474 -5.7703 -5.7664 -0.8468 -0.8409 0.9345 0.9497 1.2079 1.2125 6.2612 6.2638 6.4315 6.4339 6.7891 6.7945 7.6532 7.6543 7.7394 7.7409 8.8133 8.8137 9.2330 9.2569 9.4347 9.4642 10.0462 10.0489 13.8875 13.8912 13.9452 13.9491 14.2679 14.2731 15.3417 15.3418 k = 0.4095 0.4107-0.0000 ( 2750 PWs) bands (ev): -46.0575 -46.0575 -22.7892 -22.7886 -22.1654 -22.1644 -22.1000 -22.0998 -14.2553 -14.2553 -6.2488 -6.2460 -5.8545 -5.8466 -5.7773 -5.7731 -0.8489 -0.8434 0.9271 0.9411 1.2100 1.2143 6.2379 6.2400 6.4053 6.4081 6.7513 6.7558 7.6459 7.6471 7.7223 7.7238 8.7938 8.7942 9.2645 9.2907 9.4439 9.4755 10.0615 10.0644 13.9127 13.9161 13.9641 13.9677 14.2928 14.2975 15.3479 15.3479 k = 0.4184 0.4196-0.0000 ( 2746 PWs) bands (ev): -46.0574 -46.0574 -22.7896 -22.7890 -22.1660 -22.1651 -22.1002 -22.0999 -14.2531 -14.2530 -6.2318 -6.2291 -5.8539 -5.8459 -5.7849 -5.7804 -0.8509 -0.8460 0.9201 0.9329 1.2122 1.2161 6.2165 6.2180 6.3818 6.3850 6.7166 6.7203 7.6394 7.6406 7.7065 7.7081 8.7760 8.7764 9.2936 9.3218 9.4538 9.4872 10.0759 10.0789 13.9358 13.9389 13.9814 13.9846 14.3155 14.3197 15.3533 15.3534 k = 0.4273 0.4286-0.0000 ( 2742 PWs) bands (ev): -46.0574 -46.0574 -22.7899 -22.7894 -22.1666 -22.1658 -22.1003 -22.1000 -14.2511 -14.2510 -6.2152 -6.2126 -5.8534 -5.8452 -5.7929 -5.7879 -0.8529 -0.8484 0.9136 0.9251 1.2143 1.2178 6.1969 6.1980 6.3610 6.3644 6.6851 6.6881 7.6337 7.6349 7.6921 7.6937 8.7600 8.7603 9.3199 9.3492 9.4649 9.4991 10.0892 10.0922 13.9566 13.9594 13.9970 14.0000 14.3358 14.3396 15.3581 15.3581 k = 0.4362 0.4375-0.0000 ( 2742 PWs) bands (ev): -46.0574 -46.0574 -22.7902 -22.7898 -22.1671 -22.1664 -22.1004 -22.1002 -14.2493 -14.2492 -6.1992 -6.1968 -5.8531 -5.8447 -5.8011 -5.7956 -0.8547 -0.8507 0.9077 0.9179 1.2163 1.2194 6.1793 6.1799 6.3429 6.3463 6.6568 6.6592 7.6289 7.6301 7.6791 7.6806 8.7457 8.7459 9.3430 9.3720 9.4776 9.5111 10.1013 10.1042 13.9751 13.9776 14.0111 14.0136 14.3538 14.3571 15.3622 15.3623 k = 0.4451 0.4464-0.0000 ( 2744 PWs) bands (ev): -46.0574 -46.0574 -22.7905 -22.7901 -22.1676 -22.1669 -22.1005 -22.1003 -14.2477 -14.2477 -6.1840 -6.1818 -5.8530 -5.8442 -5.8092 -5.8032 -0.8563 -0.8529 0.9025 0.9113 1.2182 1.2209 6.1636 6.1640 6.3274 6.3307 6.6320 6.6339 7.6249 7.6262 7.6673 7.6689 8.7331 8.7334 9.3626 9.3897 9.4919 9.5230 10.1121 10.1148 13.9913 13.9934 14.0234 14.0256 14.3695 14.3724 15.3658 15.3658 k = 0.4540 0.4554-0.0000 ( 2744 PWs) bands (ev): -46.0574 -46.0574 -22.7907 -22.7904 -22.1679 -22.1674 -22.1006 -22.1004 -14.2464 -14.2464 -6.1701 -6.1682 -5.8530 -5.8440 -5.8170 -5.8104 -0.8577 -0.8548 0.8980 0.9055 1.2199 1.2222 6.1501 6.1503 6.3145 6.3175 6.6108 6.6122 7.6219 7.6232 7.6570 7.6585 8.7225 8.7227 9.3789 9.4025 9.5072 9.5343 10.1215 10.1240 14.0051 14.0068 14.0341 14.0359 14.3829 14.3853 15.3687 15.3687 k = 0.4629 0.4643-0.0000 ( 2738 PWs) bands (ev): -46.0573 -46.0573 -22.7909 -22.7906 -22.1682 -22.1677 -22.1006 -22.1005 -14.2453 -14.2453 -6.1578 -6.1561 -5.8532 -5.8441 -5.8239 -5.8169 -0.8589 -0.8565 0.8944 0.9004 1.2214 1.2232 6.1389 6.1389 6.3041 6.3067 6.5931 6.5941 7.6199 7.6212 7.6479 7.6495 8.7136 8.7138 9.3921 9.4114 9.5222 9.5444 10.1294 10.1315 14.0164 14.0178 14.0431 14.0445 14.3939 14.3958 15.3711 15.3711 k = 0.4718 0.4732-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7910 -22.7908 -22.1683 -22.1680 -22.1006 -22.1005 -14.2444 -14.2444 -6.1474 -6.1460 -5.8534 -5.8449 -5.8293 -5.8225 -0.8598 -0.8580 0.8917 0.8963 1.2226 1.2240 6.1299 6.1299 6.2961 6.2982 6.5791 6.5798 7.6188 7.6202 7.6402 7.6418 8.7067 8.7068 9.4024 9.4170 9.5357 9.5526 10.1358 10.1375 14.0253 14.0263 14.0502 14.0513 14.4027 14.4041 15.3729 15.3729 k = 0.4807 0.4821-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7909 -22.1685 -22.1683 -22.1006 -22.1006 -14.2438 -14.2438 -6.1394 -6.1384 -5.8535 -5.8468 -5.8324 -5.8269 -0.8603 -0.8591 0.8899 0.8930 1.2236 1.2246 6.1232 6.1233 6.2905 6.2920 6.5689 6.5694 7.6189 7.6203 7.6339 7.6354 8.7016 8.7017 9.4102 9.4201 9.5469 9.5584 10.1406 10.1418 14.0318 14.0325 14.0555 14.0562 14.4090 14.4100 15.3743 15.3743 k = 0.4896 0.4911-0.0000 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2434 -14.2434 -6.1341 -6.1335 -5.8531 -5.8493 -5.8333 -5.8301 -0.8606 -0.8599 0.8890 0.8907 1.2243 1.2248 6.1191 6.1191 6.2871 6.2880 6.5626 6.5628 7.6199 7.6211 7.6291 7.6304 8.6985 8.6985 9.4157 9.4210 9.5551 9.5612 10.1437 10.1443 14.0359 14.0362 14.0589 14.0593 14.4131 14.4136 15.3751 15.3751 k = 0.4986 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1318 -6.1317 -5.8520 -5.8515 -5.8327 -5.8323 -0.8605 -0.8604 0.8891 0.8893 1.2247 1.2248 6.1175 6.1175 6.2860 6.2861 6.5601 6.5601 7.6214 7.6217 7.6269 7.6272 8.6972 8.6973 9.4193 9.4200 9.5600 9.5608 10.1451 10.1452 14.0376 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k = 0.4986 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1318 -6.1317 -5.8520 -5.8515 -5.8327 -5.8323 -0.8605 -0.8604 0.8891 0.8893 1.2247 1.2248 6.1175 6.1175 6.2860 6.2861 6.5601 6.5601 7.6214 7.6217 7.6269 7.6272 8.6972 8.6973 9.4193 9.4200 9.5600 9.5608 10.1451 10.1452 14.0376 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k = 0.4858 0.5000-0.0000 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2434 -14.2434 -6.1339 -6.1335 -5.8525 -5.8496 -5.8331 -5.8307 -0.8605 -0.8600 0.8892 0.8904 1.2244 1.2248 6.1192 6.1192 6.2873 6.2880 6.5621 6.5623 7.6206 7.6217 7.6284 7.6295 8.6984 8.6985 9.4162 9.4202 9.5562 9.5608 10.1438 10.1443 14.0360 14.0363 14.0590 14.0593 14.4132 14.4136 15.3751 15.3751 k = 0.4730 0.5000-0.0000 ( 2727 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7909 -22.1685 -22.1683 -22.1006 -22.1006 -14.2438 -14.2438 -6.1392 -6.1385 -5.8519 -5.8467 -5.8327 -5.8283 -0.8602 -0.8593 0.8902 0.8925 1.2237 1.2244 6.1238 6.1239 6.2913 6.2925 6.5674 6.5677 7.6201 7.6214 7.6327 7.6340 8.7016 8.7016 9.4107 9.4179 9.5495 9.5580 10.1408 10.1416 14.0315 14.0320 14.0563 14.0568 14.4092 14.4100 15.3744 15.3744 k = 0.4602 0.5000-0.0000 ( 2733 PWs) bands (ev): -46.0573 -46.0573 -22.7910 -22.7908 -22.1683 -22.1681 -22.1006 -22.1005 -14.2445 -14.2444 -6.1474 -6.1465 -5.8501 -5.8429 -5.8313 -5.8253 -0.8596 -0.8583 0.8923 0.8956 1.2228 1.2238 6.1311 6.1312 6.2980 6.2996 6.5761 6.5766 7.6199 7.6210 7.6394 7.6406 8.7067 8.7067 9.4028 9.4132 9.5401 9.5522 10.1359 10.1372 14.0228 14.0233 14.0536 14.0542 14.4029 14.4040 15.3732 15.3732 k = 0.4474 0.5000-0.0000 ( 2739 PWs) bands (ev): -46.0573 -46.0573 -22.7909 -22.7907 -22.1681 -22.1678 -22.1006 -22.1005 -14.2453 -14.2453 -6.1584 -6.1572 -5.8473 -5.8384 -5.8291 -5.8215 -0.8586 -0.8569 0.8953 0.8996 1.2216 1.2229 6.1408 6.1408 6.3074 6.3094 6.5883 6.5891 7.6198 7.6207 7.6484 7.6495 8.7137 8.7138 9.3924 9.4061 9.5278 9.5437 10.1292 10.1308 14.0092 14.0096 14.0517 14.0522 14.3944 14.3958 15.3715 15.3716 k = 0.4346 0.5000-0.0000 ( 2745 PWs) bands (ev): -46.0574 -46.0574 -22.7907 -22.7905 -22.1678 -22.1675 -22.1005 -22.1004 -14.2464 -14.2464 -6.1717 -6.1704 -5.8438 -5.8335 -5.8261 -5.8173 -0.8573 -0.8552 0.8992 0.9045 1.2201 1.2217 6.1524 6.1524 6.3197 6.3219 6.6043 6.6053 7.6197 7.6205 7.6598 7.6608 8.7226 8.7228 9.3798 9.3965 9.5130 9.5325 10.1207 10.1226 13.9909 13.9912 14.0504 14.0508 14.3839 14.3856 15.3693 15.3693 k = 0.4219 0.5000-0.0000 ( 2745 PWs) bands (ev): -46.0574 -46.0574 -22.7905 -22.7902 -22.1675 -22.1670 -22.1004 -22.1003 -14.2477 -14.2477 -6.1871 -6.1857 -5.8395 -5.8283 -5.8222 -5.8128 -0.8557 -0.8533 0.9041 0.9103 1.2184 1.2203 6.1655 6.1655 6.3349 6.3374 6.6242 6.6255 7.6195 7.6202 7.6734 7.6743 8.7334 8.7336 9.3648 9.3846 9.4959 9.5188 10.1102 10.1124 13.9681 13.9684 14.0494 14.0497 14.3714 14.3734 15.3665 15.3665 k = 0.4091 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.0574 -46.0574 -22.7902 -22.7899 -22.1670 -22.1665 -22.1004 -22.1002 -14.2493 -14.2492 -6.2042 -6.2029 -5.8346 -5.8230 -5.8178 -5.8080 -0.8538 -0.8510 0.9099 0.9170 1.2165 1.2186 6.1793 6.1795 6.3534 6.3559 6.6481 6.6499 7.6194 7.6199 7.6893 7.6901 8.7461 8.7463 9.3476 9.3703 9.4767 9.5029 10.0978 10.1002 13.9413 13.9415 14.0485 14.0488 14.3572 14.3595 15.3629 15.3630 k = 0.3963 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.0574 -46.0574 -22.7899 -22.7895 -22.1665 -22.1659 -22.1002 -22.1001 -14.2510 -14.2510 -6.2230 -6.2216 -5.8292 -5.8178 -5.8127 -5.8031 -0.8516 -0.8486 0.9166 0.9245 1.2144 1.2168 6.1932 6.1937 6.3754 6.3778 6.6763 6.6785 7.6192 7.6197 7.7072 7.7080 8.7607 8.7609 9.3283 9.3535 9.4558 9.4849 10.0833 10.0859 13.9107 13.9108 14.0478 14.0480 14.3416 14.3441 15.3586 15.3587 k = 0.3835 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0574 -46.0574 -22.7895 -22.7891 -22.1660 -22.1653 -22.1001 -22.0999 -14.2529 -14.2529 -6.2430 -6.2417 -5.8236 -5.8127 -5.8070 -5.7980 -0.8491 -0.8458 0.9242 0.9329 1.2122 1.2149 6.2069 6.2076 6.4010 6.4032 6.7086 6.7114 7.6190 7.6194 7.7273 7.7280 8.7770 8.7772 9.3069 9.3341 9.4335 9.4652 10.0666 10.0694 13.8765 13.8766 14.0470 14.0473 14.3246 14.3275 15.3535 15.3535 k = 0.3707 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0575 -46.0575 -22.7892 -22.7887 -22.1654 -22.1647 -22.0999 -22.0997 -14.2550 -14.2550 -6.2641 -6.2629 -5.8178 -5.8081 -5.8007 -5.7928 -0.8464 -0.8428 0.9327 0.9420 1.2099 1.2128 6.2197 6.2208 6.4304 6.4322 6.7450 6.7485 7.6187 7.6191 7.7492 7.7498 8.7950 8.7952 9.2834 9.3122 9.4106 9.4440 10.0477 10.0506 13.8389 13.8389 14.0463 14.0465 14.3067 14.3098 15.3473 15.3474 k = 0.3579 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0575 -46.0575 -22.7887 -22.7883 -22.1647 -22.1639 -22.0998 -22.0995 -14.2573 -14.2572 -6.2861 -6.2850 -5.8121 -5.8040 -5.7937 -5.7873 -0.8434 -0.8396 0.9419 0.9519 1.2076 1.2107 6.2316 6.2331 6.4636 6.4649 6.7855 6.7896 7.6184 7.6187 7.7730 7.7736 8.8147 8.8150 9.2580 9.2874 9.3874 9.4219 10.0265 10.0295 13.7982 13.7982 14.0455 14.0457 14.2880 14.2913 15.3401 15.3402 k = 0.3452 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0575 -46.0575 -22.7883 -22.7878 -22.1640 -22.1632 -22.0995 -22.0993 -14.2597 -14.2597 -6.3089 -6.3078 -5.8068 -5.8005 -5.7861 -5.7815 -0.8402 -0.8363 0.9518 0.9624 1.2053 1.2086 6.2424 6.2443 6.5004 6.5012 6.8296 6.8345 7.6181 7.6184 7.7984 7.7990 8.8360 8.8363 9.2307 9.2598 9.3646 9.3991 10.0030 10.0060 13.7545 13.7545 14.0448 14.0449 14.2688 14.2724 15.3316 15.3318 k = 0.3324 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0576 -46.0576 -22.7878 -22.7873 -22.1632 -22.1624 -22.0993 -22.0991 -14.2622 -14.2622 -6.3321 -6.3311 -5.8022 -5.7975 -5.7781 -5.7750 -0.8368 -0.8327 0.9624 0.9735 1.2031 1.2065 6.2522 6.2544 6.5407 6.5410 6.8770 6.8827 7.6178 7.6180 7.8254 7.8259 8.8589 8.8592 9.2015 9.2294 9.3426 9.3763 9.9769 9.9799 13.7082 13.7083 14.0439 14.0440 14.2494 14.2532 15.3217 15.3220 k = 0.3196 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0576 -46.0576 -22.7873 -22.7868 -22.1625 -22.1616 -22.0991 -22.0988 -14.2649 -14.2648 -6.3558 -6.3549 -5.7984 -5.7950 -5.7696 -5.7678 -0.8333 -0.8290 0.9736 0.9851 1.2010 1.2045 6.2610 6.2636 6.5840 6.5843 6.9273 6.9338 7.6175 7.6176 7.8538 7.8542 8.8832 8.8835 9.1706 9.1965 9.3218 9.3538 9.9484 9.9513 13.6596 13.6596 14.0431 14.0432 14.2300 14.2340 15.3103 15.3108 k = 0.3068 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.0576 -46.0576 -22.7868 -22.7862 -22.1617 -22.1608 -22.0988 -22.0985 -14.2676 -14.2676 -6.3798 -6.3789 -5.7954 -5.7931 -5.7608 -5.7600 -0.8296 -0.8252 0.9853 0.9971 1.1991 1.2027 6.2691 6.2720 6.6301 6.6310 6.9800 6.9873 7.6171 7.6172 7.8833 7.8837 8.9088 8.9092 9.1380 9.1613 9.3025 9.3322 9.9172 9.9201 13.6088 13.6088 14.0422 14.0423 14.2108 14.2151 15.2973 15.2978 k = 0.2940 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0577 -46.0577 -22.7862 -22.7857 -22.1608 -22.1599 -22.0985 -22.0982 -14.2705 -14.2704 -6.4038 -6.4030 -5.7932 -5.7916 -5.7517 -5.7515 -0.8257 -0.8214 0.9974 1.0095 1.1974 1.2011 6.2765 6.2797 6.6791 6.6805 7.0344 7.0427 7.6167 7.6168 7.9140 7.9143 8.9358 8.9361 9.1039 9.1243 9.2851 9.3121 9.8834 9.8861 13.5561 13.5562 14.0413 14.0413 14.1921 14.1966 15.2823 15.2830 k = 0.2812 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.0577 -46.0577 -22.7857 -22.7851 -22.1600 -22.1590 -22.0981 -22.0979 -14.2733 -14.2733 -6.4278 -6.4271 -5.7917 -5.7907 -5.7427 -5.7424 -0.8218 -0.8174 1.0098 1.0220 1.1962 1.1998 6.2834 6.2868 6.7307 6.7327 7.0900 7.0991 7.6163 7.6164 7.9455 7.9457 8.9638 8.9640 9.0684 9.0857 9.2697 9.2939 9.8470 9.8495 13.5019 13.5020 14.0404 14.0404 14.1741 14.1788 15.2654 15.2661 k = 0.2685 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0577 -46.0577 -22.7851 -22.7845 -22.1591 -22.1582 -22.0978 -22.0975 -14.2763 -14.2763 -6.4517 -6.4511 -5.7908 -5.7901 -5.7335 -5.7329 -0.8178 -0.8134 1.0224 1.0345 1.1954 1.1989 6.2898 6.2935 6.7848 6.7874 7.1460 7.1561 7.6159 7.6159 7.9777 7.9778 8.9926 8.9929 9.0324 9.0461 9.2569 9.2782 9.8079 9.8102 13.4465 13.4466 14.0394 14.0394 14.1570 14.1618 15.2462 15.2471 k = 0.2557 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.0578 -46.0578 -22.7846 -22.7840 -22.1583 -22.1573 -22.0974 -22.0972 -14.2792 -14.2792 -6.4754 -6.4748 -5.7905 -5.7900 -5.7241 -5.7234 -0.8137 -0.8094 1.0349 1.0469 1.1952 1.1985 6.2959 6.2997 6.8413 6.8445 7.2018 7.2128 7.6155 7.6155 8.0103 8.0104 8.9924 9.0050 9.0234 9.0249 9.2468 9.2654 9.7660 9.7681 13.3901 13.3902 14.0383 14.0384 14.1408 14.1459 15.2246 15.2257 k = 0.2429 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0578 -46.0578 -22.7840 -22.7834 -22.1574 -22.1565 -22.0971 -22.0968 -14.2822 -14.2822 -6.4986 -6.4982 -5.7906 -5.7903 -5.7146 -5.7138 -0.8097 -0.8054 1.0472 1.0589 1.1957 1.1987 6.3017 6.3057 6.8998 6.9037 7.2566 7.2686 7.6150 7.6151 8.0433 8.0433 8.9550 8.9645 9.0538 9.0548 9.2401 9.2561 9.7216 9.7233 13.3331 13.3332 14.0372 14.0374 14.1259 14.1312 15.2005 15.2018 k = 0.2301 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.0579 -46.0579 -22.7834 -22.7828 -22.1566 -22.1557 -22.0967 -22.0964 -14.2851 -14.2851 -6.5214 -6.5210 -5.7910 -5.7909 -5.7051 -5.7042 -0.8056 -0.8014 1.0592 1.0703 1.1970 1.1997 6.3073 6.3115 6.9603 6.9649 7.3097 7.3227 7.6146 7.6146 8.0762 8.0763 8.9165 8.9236 9.0850 9.0860 9.2370 9.2506 9.6745 9.6758 13.2758 13.2759 14.0361 14.0363 14.1122 14.1177 15.1738 15.1753 k = 0.2173 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0579 -46.0579 -22.7829 -22.7823 -22.1558 -22.1549 -22.0963 -22.0960 -14.2881 -14.2880 -6.5436 -6.5433 -5.7918 -5.7918 -5.6957 -5.6948 -0.8016 -0.7975 1.0705 1.0809 1.1994 1.2014 6.3127 6.3170 7.0224 7.0279 7.3605 7.3746 7.6141 7.6142 8.1090 8.1092 8.8778 8.8828 9.1165 9.1177 9.2380 9.2493 9.6249 9.6257 13.2185 13.2186 14.0349 14.0351 14.0999 14.1056 15.1444 15.1461 k = 0.2045 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.0579 -46.0579 -22.7823 -22.7817 -22.1550 -22.1541 -22.0958 -22.0956 -14.2909 -14.2909 -6.5651 -6.5648 -5.7929 -5.7929 -5.6864 -5.6855 -0.7977 -0.7937 1.0810 1.0904 1.2030 1.2042 6.3180 6.3223 7.0860 7.0925 7.4084 7.4237 7.6137 7.6138 8.1414 8.1418 8.8393 8.8426 9.1482 9.1495 9.2434 9.2524 9.5730 9.5732 13.1616 13.1617 14.0337 14.0339 14.0890 14.0949 15.1122 15.1142 k = 0.1918 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0580 -46.0580 -22.7818 -22.7813 -22.1543 -22.1534 -22.0954 -22.0952 -14.2937 -14.2937 -6.5858 -6.5856 -5.7943 -5.7942 -5.6773 -5.6764 -0.7938 -0.7901 1.0904 1.0987 1.2077 1.2081 6.3231 6.3275 7.1507 7.1583 7.4530 7.4696 7.6133 7.6134 8.1733 8.1737 8.8013 8.8032 9.1796 9.1813 9.2532 9.2599 9.5183 9.5190 13.1054 13.1056 14.0324 14.0327 14.0796 14.0857 15.0773 15.0795 k = 0.1790 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0580 -46.0580 -22.7813 -22.7808 -22.1536 -22.1527 -22.0950 -22.0948 -14.2964 -14.2964 -6.6057 -6.6054 -5.7957 -5.7957 -5.6685 -5.6676 -0.7901 -0.7865 1.0987 1.1057 1.2131 1.2137 6.3281 6.3326 7.2160 7.2250 7.4941 7.5122 7.6129 7.6130 8.2043 8.2049 8.7642 8.7649 9.2105 9.2127 9.2674 9.2713 9.4615 9.4635 13.0503 13.0505 14.0310 14.0313 14.0716 14.0779 15.0399 15.0424 k = 0.1662 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.0580 -46.0580 -22.7808 -22.7803 -22.1529 -22.1521 -22.0946 -22.0944 -14.2990 -14.2990 -6.6245 -6.6243 -5.7973 -5.7972 -5.6600 -5.6592 -0.7865 -0.7831 1.1056 1.1114 1.2192 1.2207 6.3330 6.3374 7.2812 7.2920 7.5319 7.5517 7.6125 7.6127 8.2344 8.2351 8.7279 8.7282 9.2407 9.2434 9.2846 9.2849 9.4039 9.4087 12.9967 12.9968 14.0297 14.0300 14.0652 14.0715 15.0003 15.0031 k = 0.1534 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7804 -22.7799 -22.1522 -22.1515 -22.0942 -22.0940 -14.3015 -14.3014 -6.6423 -6.6422 -5.7990 -5.7989 -5.6519 -5.6511 -0.7831 -0.7799 1.1114 1.1159 1.2262 1.2285 6.3377 6.3421 7.3454 7.3583 7.5669 7.5887 7.6123 7.6124 8.2632 8.2640 8.6926 8.6935 9.2691 9.2726 9.2901 9.2989 9.3528 9.3647 12.9449 12.9450 14.0283 14.0286 14.0600 14.0664 14.9588 14.9618 k = 0.1406 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7799 -22.7794 -22.1516 -22.1509 -22.0938 -22.0936 -14.3038 -14.3038 -6.6590 -6.6589 -5.8007 -5.8006 -5.6442 -5.6435 -0.7799 -0.7769 1.1160 1.1195 1.2339 1.2369 6.3423 6.3466 7.4069 7.4221 7.6000 7.6117 7.6129 7.6255 8.2906 8.2915 8.6592 8.6606 9.2550 9.2616 9.3023 9.3037 9.3488 9.3601 12.8953 12.8954 14.0271 14.0272 14.0562 14.0626 14.9159 14.9193 k = 0.1278 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7795 -22.7791 -22.1511 -22.1504 -22.0934 -22.0932 -14.3060 -14.3060 -6.6745 -6.6744 -5.8023 -5.8022 -5.6371 -5.6364 -0.7769 -0.7741 1.1197 1.1223 1.2420 1.2454 6.3468 6.3509 7.4631 7.4805 7.6106 7.6117 7.6382 7.6631 8.3163 8.3174 8.6279 8.6296 9.1978 9.2020 9.3291 9.3315 9.3734 9.3807 12.8483 12.8484 14.0259 14.0260 14.0535 14.0598 14.8723 14.8759 k = 0.1151 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.0582 -46.0582 -22.7791 -22.7787 -22.1505 -22.1499 -22.0930 -22.0928 -14.3080 -14.3080 -6.6887 -6.6886 -5.8040 -5.8038 -5.6304 -5.6298 -0.7741 -0.7716 1.1226 1.1245 1.2502 1.2538 6.3510 6.3549 7.5111 7.5288 7.6107 7.6116 7.6805 7.7055 8.3402 8.3414 8.5990 8.6007 9.1341 9.1368 9.3562 9.3584 9.4023 9.4078 12.8043 12.8044 14.0250 14.0250 14.0517 14.0579 14.8288 14.8326 k = 0.1023 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.0582 -46.0582 -22.7787 -22.7783 -22.1500 -22.1495 -22.0926 -22.0925 -14.3098 -14.3098 -6.7016 -6.7015 -5.8055 -5.8054 -5.6243 -5.6238 -0.7715 -0.7693 1.1249 1.1263 1.2583 1.2620 6.3549 6.3586 7.5484 7.5642 7.6106 7.6116 7.7325 7.7550 8.3621 8.3634 8.5726 8.5743 9.0681 9.0697 9.3819 9.3838 9.4323 9.4369 12.7636 12.7637 14.0243 14.0243 14.0507 14.0568 14.7862 14.7901 k = 0.0895 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0582 -46.0582 -22.7784 -22.7781 -22.1496 -22.1491 -22.0923 -22.0922 -14.3115 -14.3115 -6.7131 -6.7130 -5.8069 -5.8068 -5.6189 -5.6184 -0.7692 -0.7672 1.1267 1.1276 1.2660 1.2695 6.3586 6.3619 7.5751 7.5877 7.6107 7.6120 7.7927 7.8114 8.3818 8.3832 8.5489 8.5505 9.0010 9.0020 9.4058 9.4073 9.4623 9.4661 12.7267 12.7267 14.0237 14.0238 14.0504 14.0562 14.7454 14.7493 k = 0.0767 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.0582 -46.0582 -22.7781 -22.7778 -22.1493 -22.1489 -22.0921 -22.0920 -14.3129 -14.3129 -6.7231 -6.7231 -5.8082 -5.8081 -5.6141 -5.6137 -0.7672 -0.7654 1.1281 1.1287 1.2731 1.2763 6.3619 6.3649 7.5926 7.6023 7.6118 7.6131 7.8574 7.8724 8.3991 8.4006 8.5282 8.5295 8.9339 8.9343 9.4271 9.4283 9.4910 9.4943 12.6938 12.6939 14.0234 14.0235 14.0507 14.0562 14.7074 14.7112 k = 0.0639 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.0582 -46.0582 -22.7778 -22.7776 -22.1489 -22.1486 -22.0918 -22.0917 -14.3142 -14.3142 -6.7317 -6.7317 -5.8094 -5.8093 -5.6100 -5.6097 -0.7654 -0.7639 1.1292 1.1296 1.2794 1.2823 6.3649 6.3674 7.6023 7.6074 7.6163 7.6170 7.9232 7.9352 8.4139 8.4155 8.5106 8.5116 8.8677 8.8678 9.4458 9.4467 9.5175 9.5202 12.6653 12.6654 14.0233 14.0234 14.0515 14.0565 14.6732 14.6768 k = 0.0511 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.0582 -46.0582 -22.7776 -22.7774 -22.1486 -22.1484 -22.0915 -22.0915 -14.3152 -14.3152 -6.7388 -6.7388 -5.8103 -5.8103 -5.6066 -5.6063 -0.7639 -0.7627 1.1300 1.1303 1.2849 1.2872 6.3674 6.3695 7.6059 7.6082 7.6214 7.6232 7.9874 7.9969 8.4261 8.4277 8.4963 8.4970 8.8039 8.8044 9.4615 9.4621 9.5408 9.5430 12.6416 12.6417 14.0232 14.0233 14.0526 14.0570 14.6437 14.6468 k = 0.0384 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0583 -46.0583 -22.7774 -22.7773 -22.1484 -22.1482 -22.0913 -22.0913 -14.3160 -14.3160 -6.7443 -6.7443 -5.8111 -5.8110 -5.6039 -5.6037 -0.7627 -0.7618 1.1306 1.1308 1.2893 1.2911 6.3695 6.3711 7.6071 7.6083 7.6261 7.6276 8.0469 8.0541 8.4353 8.4368 8.4855 8.4859 8.7452 8.7459 9.4739 9.4743 9.5599 9.5616 12.6229 12.6229 14.0232 14.0233 14.0539 14.0574 14.6198 14.6224 k = 0.0256 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0583 -46.0583 -22.7773 -22.7772 -22.1483 -22.1481 -22.0912 -22.0912 -14.3166 -14.3166 -6.7483 -6.7483 -5.8116 -5.8116 -5.6020 -5.6018 -0.7618 -0.7612 1.1310 1.1311 1.2926 1.2938 6.3711 6.3722 7.6075 7.6082 7.6294 7.6304 8.0974 8.1025 8.4414 8.4426 8.4786 8.4788 8.6956 8.6963 9.4829 9.4832 9.5742 9.5753 12.6093 12.6093 14.0232 14.0233 14.0552 14.0577 14.6023 14.6041 k = 0.0128 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.0583 -46.0583 -22.7772 -22.7772 -22.1481 -22.1481 -22.0912 -22.0911 -14.3169 -14.3169 -6.7507 -6.7507 -5.8120 -5.8119 -5.6008 -5.6007 -0.7612 -0.7609 1.1313 1.1313 1.2947 1.2953 6.3722 6.3727 7.6078 7.6081 7.6313 7.6318 8.1330 8.1357 8.4446 8.4452 8.4753 8.4755 8.6611 8.6616 9.4884 9.4885 9.5831 9.5837 12.6011 12.6011 14.0233 14.0233 14.0564 14.0577 14.5917 14.5927 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0583 -46.0583 -22.7772 -22.7772 -22.1481 -22.1481 -22.0911 -22.0911 -14.3171 -14.3171 -6.7515 -6.7515 -5.8121 -5.8121 -5.6004 -5.6004 -0.7609 -0.7609 1.1314 1.1314 1.2956 1.2956 6.3727 6.3727 7.6080 7.6080 7.6321 7.6321 8.1470 8.1470 8.4456 8.4456 8.4746 8.4746 8.6487 8.6487 9.4903 9.4903 9.5863 9.5863 12.5984 12.5984 14.0233 14.0233 14.0572 14.0572 14.5885 14.5885 k = 0.0000 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.0583 -46.0583 -22.7772 -22.7772 -22.1481 -22.1481 -22.0911 -22.0911 -14.3171 -14.3171 -6.7515 -6.7515 -5.8121 -5.8121 -5.6004 -5.6004 -0.7609 -0.7609 1.1314 1.1314 1.2956 1.2956 6.3727 6.3727 7.6080 7.6080 7.6321 7.6321 8.1470 8.1470 8.4456 8.4456 8.4746 8.4746 8.6487 8.6487 9.4903 9.4903 9.5863 9.5863 12.5984 12.5984 14.0233 14.0233 14.0572 14.0572 14.5885 14.5885 k = 0.0000 0.5000 0.0126 ( 2752 PWs) bands (ev): -46.0583 -46.0583 -22.7772 -22.7772 -22.1481 -22.1481 -22.0912 -22.0911 -14.3169 -14.3169 -6.7508 -6.7506 -5.8120 -5.8117 -5.6008 -5.6007 -0.7620 -0.7602 1.1297 1.1328 1.2943 1.2956 6.3721 6.3727 7.6045 7.6092 7.6308 7.6354 8.1439 8.1481 8.3768 8.3905 8.5271 8.5423 8.6402 8.6632 9.4733 9.4891 9.5825 9.5992 12.5993 12.6012 14.0218 14.0243 14.0560 14.0585 14.5917 14.5927 k = 0.0000 0.5000 0.0252 ( 2754 PWs) bands (ev): -46.0583 -46.0583 -22.7773 -22.7772 -22.1481 -22.1480 -22.0914 -22.0913 -14.3166 -14.3166 -6.7487 -6.7483 -5.8116 -5.8111 -5.6019 -5.6017 -0.7634 -0.7598 1.1278 1.1341 1.2918 1.2943 6.3710 6.3722 7.5998 7.6075 7.6321 7.6395 8.1360 8.1482 8.2969 8.3251 8.5776 8.6203 8.6360 8.6929 9.4456 9.4693 9.5884 9.6138 12.6040 12.6077 14.0200 14.0247 14.0550 14.0598 14.6022 14.6041 k = 0.0000 0.5000 0.0378 ( 2752 PWs) bands (ev): -46.0583 -46.0583 -22.7774 -22.7772 -22.1481 -22.1480 -22.0917 -22.0915 -14.3160 -14.3160 -6.7450 -6.7445 -5.8108 -5.8100 -5.6038 -5.6034 -0.7652 -0.7598 1.1257 1.1351 1.2879 1.2917 6.3693 6.3710 7.5943 7.6036 7.6351 7.6439 8.1163 8.1464 8.2188 8.2707 8.6058 8.6278 8.7036 8.7454 9.4116 9.4382 9.5969 9.6260 12.6125 12.6179 14.0179 14.0246 14.0544 14.0610 14.6195 14.6223 k = 0.0000 0.5000 0.0504 ( 2752 PWs) bands (ev): -46.0582 -46.0582 -22.7776 -22.7773 -22.1482 -22.1480 -22.0922 -22.0918 -14.3151 -14.3151 -6.7400 -6.7393 -5.8097 -5.8086 -5.6063 -5.6058 -0.7673 -0.7602 1.1234 1.1359 1.2830 1.2879 6.3671 6.3693 7.5881 7.5983 7.6386 7.6479 8.0760 8.1231 8.1626 8.2368 8.6198 8.6238 8.7832 8.8123 9.3734 9.4010 9.6034 9.6342 12.6250 12.6320 14.0160 14.0242 14.0540 14.0621 14.6431 14.6466 k = 0.0000 0.5000 0.0630 ( 2754 PWs) bands (ev): -46.0582 -46.0582 -22.7778 -22.7775 -22.1482 -22.1480 -22.0927 -22.0923 -14.3141 -14.3141 -6.7335 -6.7326 -5.8082 -5.8069 -5.6096 -5.6089 -0.7697 -0.7610 1.1209 1.1363 1.2769 1.2830 6.3643 6.3671 7.5810 7.5919 7.6419 7.6514 8.0174 8.0524 8.1548 8.2215 8.6208 8.6284 8.8620 8.8844 9.3322 9.3600 9.6062 9.6378 12.6415 12.6500 14.0143 14.0236 14.0540 14.0632 14.6719 14.6760 k = 0.0000 0.5000 0.0756 ( 2754 PWs) bands (ev): -46.0582 -46.0582 -22.7781 -22.7777 -22.1483 -22.1480 -22.0933 -22.0928 -14.3128 -14.3128 -6.7255 -6.7245 -5.8064 -5.8048 -5.6135 -5.6127 -0.7724 -0.7621 1.1182 1.1365 1.2698 1.2769 6.3612 6.3644 7.5724 7.5840 7.6444 7.6541 7.9499 7.9771 8.1528 8.2151 8.6193 8.6358 8.9398 8.9581 9.2893 9.3169 9.6046 9.6367 12.6621 12.6719 14.0130 14.0232 14.0543 14.0643 14.7051 14.7097 k = 0.0000 0.5000 0.0882 ( 2762 PWs) bands (ev): -46.0582 -46.0582 -22.7784 -22.7779 -22.1483 -22.1480 -22.0941 -22.0935 -14.3113 -14.3113 -6.7163 -6.7151 -5.8043 -5.8024 -5.6180 -5.6171 -0.7754 -0.7636 1.1153 1.1362 1.2619 1.2699 6.3577 6.3613 7.5613 7.5741 7.6460 7.6555 7.8796 7.9040 8.1504 8.2115 8.6200 8.6434 9.0164 9.0319 9.2453 9.2727 9.5986 9.6308 12.6869 12.6979 14.0123 14.0232 14.0547 14.0654 14.7416 14.7466 k = 0.0000 0.5000 0.1008 ( 2758 PWs) bands (ev): -46.0582 -46.0582 -22.7787 -22.7781 -22.1484 -22.1480 -22.0948 -22.0942 -14.3096 -14.3096 -6.7057 -6.7043 -5.8019 -5.7997 -5.6232 -5.6221 -0.7787 -0.7655 1.1121 1.1355 1.2534 1.2621 6.3538 6.3577 7.5462 7.5608 7.6464 7.6556 7.8101 7.8351 8.1466 8.2078 8.6236 8.6525 9.0915 9.1049 9.2015 9.2286 9.5884 9.6205 12.7158 12.7278 14.0123 14.0238 14.0553 14.0667 14.7804 14.7856 k = 0.0000 0.5000 0.1134 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7790 -22.7784 -22.1484 -22.1480 -22.0957 -22.0950 -14.3077 -14.3077 -6.6938 -6.6922 -5.7992 -5.7968 -5.6289 -5.6278 -0.7822 -0.7676 1.1085 1.1341 1.2444 1.2536 6.3496 6.3538 7.5245 7.5419 7.6454 7.6540 7.7447 7.7725 8.1408 8.2022 8.6306 8.6635 9.1573 9.1639 9.1758 9.1885 9.5743 9.6062 12.7488 12.7617 14.0132 14.0253 14.0560 14.0680 14.8205 14.8259 k = 0.0000 0.5000 0.1260 ( 2754 PWs) bands (ev): -46.0581 -46.0581 -22.7793 -22.7787 -22.1484 -22.1480 -22.0967 -22.0959 -14.3056 -14.3056 -6.6807 -6.6790 -5.7963 -5.7936 -5.6352 -5.6339 -0.7860 -0.7702 1.1045 1.1319 1.2354 1.2447 6.3452 6.3496 7.4937 7.5138 7.6427 7.6489 7.6887 7.7186 8.1326 8.1938 8.6414 8.6771 9.1170 9.1422 9.2379 9.2479 9.5568 9.5884 12.7857 12.7993 14.0149 14.0279 14.0568 14.0697 14.8609 14.8665 k = 0.0000 0.5000 0.1386 ( 2748 PWs) bands (ev): -46.0581 -46.0581 -22.7797 -22.7790 -22.1485 -22.1480 -22.0977 -22.0969 -14.3034 -14.3033 -6.6664 -6.6646 -5.7931 -5.7903 -5.6420 -5.6407 -0.7900 -0.7730 1.1001 1.1288 1.2266 1.2355 6.3405 6.3451 7.4520 7.4732 7.6276 7.6362 7.6583 7.6768 8.1217 8.1822 8.6562 8.6935 9.0783 9.1035 9.3075 9.3166 9.5364 9.5677 12.8262 12.8404 14.0175 14.0315 14.0576 14.0716 14.9009 14.9066 k = 0.0000 0.5000 0.1512 ( 2756 PWs) bands (ev): -46.0580 -46.0580 -22.7801 -22.7794 -22.1486 -22.1481 -22.0988 -22.0979 -14.3009 -14.3009 -6.6511 -6.6490 -5.7898 -5.7867 -5.6493 -5.6479 -0.7942 -0.7762 1.0949 1.1243 1.2184 1.2263 6.3357 6.3403 7.4004 7.4203 7.5925 7.6164 7.6500 7.6556 8.1081 8.1672 8.6748 8.7127 9.0429 9.0679 9.3752 9.3834 9.5137 9.5447 12.8701 12.8848 14.0210 14.0364 14.0585 14.0740 14.9397 14.9455 k = 0.0000 0.5000 0.1638 ( 2754 PWs) bands (ev): -46.0580 -46.0580 -22.7806 -22.7798 -22.1486 -22.1481 -22.0999 -22.0990 -14.2984 -14.2983 -6.6347 -6.6325 -5.7863 -5.7830 -5.6570 -5.6555 -0.7985 -0.7796 1.0890 1.1183 1.2112 1.2175 6.3308 6.3354 7.3422 7.3595 7.5587 7.5843 7.6454 7.6495 8.0918 8.1489 8.6970 8.7346 9.0112 9.0362 9.4404 9.4479 9.4894 9.5205 12.9171 12.9321 14.0253 14.0426 14.0595 14.0770 14.9768 14.9828 k = 0.0000 0.5000 0.1764 ( 2754 PWs) bands (ev): -46.0580 -46.0580 -22.7810 -22.7803 -22.1487 -22.1482 -22.1011 -22.1002 -14.2957 -14.2956 -6.6174 -6.6151 -5.7827 -5.7792 -5.6651 -5.6635 -0.8030 -0.7834 1.0822 1.1106 1.2052 1.2092 6.3257 6.3303 7.2801 7.2947 7.5245 7.5486 7.6429 7.6463 8.0729 8.1276 8.7222 8.7591 8.9836 9.0091 9.4636 9.4877 9.5065 9.5151 12.9669 12.9821 14.0302 14.0501 14.0605 14.0808 15.0117 15.0178 k = 0.0000 0.5000 0.1890 ( 2754 PWs) bands (ev): -46.0579 -46.0579 -22.7815 -22.7807 -22.1488 -22.1482 -22.1024 -22.1014 -14.2928 -14.2928 -6.5993 -6.5968 -5.7790 -5.7753 -5.6735 -5.6719 -0.8076 -0.7873 1.0743 1.1013 1.2003 1.2021 6.3204 6.3250 7.2163 7.2287 7.4877 7.5097 7.6415 7.6441 8.0517 8.1038 8.7496 8.7858 8.9602 8.9868 9.4380 9.4655 9.5661 9.5725 13.0190 13.0344 14.0354 14.0587 14.0619 14.0857 15.0441 15.0504 k = 0.0000 0.5000 0.2016 ( 2752 PWs) bands (ev): -46.0579 -46.0579 -22.7820 -22.7812 -22.1489 -22.1483 -22.1036 -22.1026 -14.2899 -14.2899 -6.5804 -6.5777 -5.7753 -5.7714 -5.6822 -5.6805 -0.8123 -0.7915 1.0653 1.0905 1.1948 1.1979 6.3151 6.3196 7.1522 7.1626 7.4472 7.4673 7.6408 7.6427 8.0285 8.0779 8.7783 8.8142 8.9407 8.9696 9.4128 9.4399 9.6243 9.6302 13.0730 13.0885 14.0406 14.0622 14.0699 14.0921 15.0739 15.0803 k = 0.0000 0.5000 0.2142 ( 2750 PWs) bands (ev): -46.0579 -46.0579 -22.7825 -22.7816 -22.1490 -22.1483 -22.1048 -22.1038 -14.2869 -14.2869 -6.5608 -6.5580 -5.7716 -5.7675 -5.6912 -5.6894 -0.8170 -0.7959 1.0551 1.0785 1.1895 1.1957 6.3097 6.3140 7.0885 7.0973 7.4030 7.4213 7.6405 7.6419 8.0037 8.0503 8.8066 8.8436 8.9251 8.9584 9.3887 9.4150 9.6801 9.6855 13.1287 13.1442 14.0454 14.0633 14.0817 14.1004 15.1009 15.1074 k = 0.0000 0.5000 0.2268 ( 2748 PWs) bands (ev): -46.0578 -46.0578 -22.7830 -22.7821 -22.1491 -22.1484 -22.1061 -22.1050 -14.2839 -14.2839 -6.5407 -6.5377 -5.7679 -5.7637 -5.7003 -5.6985 -0.8218 -0.8004 1.0440 1.0656 1.1853 1.1945 6.3041 6.3083 7.0259 7.0333 7.3552 7.3719 7.6407 7.6417 7.9776 8.0213 8.8317 8.8725 8.9137 8.9547 9.3664 9.3918 9.7332 9.7382 13.1855 13.2010 14.0497 14.0644 14.0951 14.1106 15.1251 15.1318 k = 0.0000 0.5000 0.2394 ( 2750 PWs) bands (ev): -46.0578 -46.0578 -22.7835 -22.7826 -22.1493 -22.1486 -22.1074 -22.1063 -14.2808 -14.2808 -6.5201 -6.5170 -5.7643 -5.7600 -5.7094 -5.7077 -0.8266 -0.8051 1.0320 1.0520 1.1822 1.1941 6.2983 6.3024 6.9648 6.9710 7.3044 7.3196 7.6412 7.6420 7.9505 7.9914 8.8494 8.8892 8.9174 8.9612 9.3468 9.3712 9.7836 9.7883 13.2432 13.2586 14.0534 14.0655 14.1098 14.1228 15.1466 15.1534 k = 0.0000 0.5000 0.2520 ( 2748 PWs) bands (ev): -46.0577 -46.0577 -22.7840 -22.7831 -22.1494 -22.1487 -22.1086 -22.1075 -14.2777 -14.2776 -6.4991 -6.4959 -5.7609 -5.7565 -5.7186 -5.7169 -0.8313 -0.8099 1.0194 1.0381 1.1801 1.1943 6.2924 6.2962 6.9053 6.9105 7.2512 7.2651 7.6418 7.6427 7.9227 7.9609 8.8570 8.8837 8.9453 8.9787 9.3306 9.3538 9.8312 9.8357 13.3013 13.3167 14.0566 14.0666 14.1259 14.1369 15.1655 15.1724 k = 0.0000 0.5000 0.2646 ( 2744 PWs) bands (ev): -46.0577 -46.0577 -22.7845 -22.7837 -22.1496 -22.1488 -22.1098 -22.1087 -14.2745 -14.2745 -6.4779 -6.4746 -5.7577 -5.7533 -5.7277 -5.7260 -0.8360 -0.8148 1.0064 1.0240 1.1789 1.1949 6.2862 6.2897 6.8478 6.8521 7.1965 7.2091 7.6427 7.6437 7.8946 7.9301 8.8564 8.8741 8.9782 9.0042 9.3183 9.3402 9.8760 9.8803 13.3596 13.3747 14.0593 14.0677 14.1432 14.1526 15.1819 15.1889 k = 0.0000 0.5000 0.2772 ( 2742 PWs) bands (ev): -46.0576 -46.0576 -22.7850 -22.7842 -22.1498 -22.1490 -22.1109 -22.1099 -14.2714 -14.2714 -6.4566 -6.4532 -5.7551 -5.7509 -5.7363 -5.7345 -0.8406 -0.8197 0.9932 1.0098 1.1785 1.1959 6.2796 6.2829 6.7925 6.7959 7.1409 7.1524 7.6437 7.6450 7.8664 7.8993 8.8506 8.8631 9.0120 9.0336 9.3103 9.3311 9.9181 9.9222 13.4175 13.4325 14.0616 14.0688 14.1616 14.1698 15.1960 15.2031 k = 0.0000 0.5000 0.2898 ( 2736 PWs) bands (ev): -46.0576 -46.0576 -22.7855 -22.7847 -22.1499 -22.1492 -22.1120 -22.1110 -14.2684 -14.2683 -6.4353 -6.4318 -5.7544 -5.7508 -5.7436 -5.7402 -0.8451 -0.8246 0.9800 0.9958 1.1788 1.1972 6.2726 6.2756 6.7396 6.7422 7.0853 7.0956 7.6449 7.6464 7.8384 7.8688 8.8414 8.8508 9.0454 9.0648 9.3067 9.3267 9.9574 9.9613 13.4748 13.4895 14.0636 14.0699 14.1809 14.1882 15.2079 15.2150 k = 0.0000 0.5000 0.3024 ( 2736 PWs) bands (ev): -46.0575 -46.0575 -22.7860 -22.7852 -22.1502 -22.1494 -22.1131 -22.1121 -14.2653 -14.2653 -6.4141 -6.4105 -5.7592 -5.7560 -5.7456 -5.7406 -0.8494 -0.8294 0.9669 0.9820 1.1796 1.1986 6.2650 6.2678 6.6893 6.6911 7.0303 7.0396 7.6461 7.6479 7.8109 7.8388 8.8298 8.8369 9.0779 9.0963 9.3072 9.3270 9.9939 9.9977 13.5312 13.5456 14.0655 14.0709 14.2010 14.2075 15.2178 15.2250 k = 0.0000 0.5000 0.3150 ( 2736 PWs) bands (ev): -46.0575 -46.0575 -22.7865 -22.7857 -22.1504 -22.1496 -22.1142 -22.1132 -14.2624 -14.2623 -6.3931 -6.3895 -5.7669 -5.7641 -5.7441 -5.7389 -0.8536 -0.8342 0.9542 0.9685 1.1810 1.2002 6.2568 6.2593 6.6416 6.6428 6.9767 6.9850 7.6472 7.6494 7.7842 7.8096 8.8163 8.8217 9.1089 9.1276 9.3116 9.3318 10.0278 10.0314 13.5863 13.6004 14.0671 14.0720 14.2217 14.2275 15.2259 15.2331 k = 0.0000 0.5000 0.3276 ( 2736 PWs) bands (ev): -46.0575 -46.0575 -22.7870 -22.7862 -22.1506 -22.1499 -22.1152 -22.1142 -14.2595 -14.2595 -6.3726 -6.3690 -5.7751 -5.7725 -5.7421 -5.7370 -0.8575 -0.8390 0.9419 0.9555 1.1827 1.2019 6.2478 6.2501 6.5968 6.5976 6.9251 6.9324 7.6481 7.6508 7.7587 7.7815 8.8013 8.8054 9.1382 9.1578 9.3194 9.3406 10.0589 10.0625 13.6398 13.6535 14.0686 14.0730 14.2427 14.2480 15.2324 15.2395 k = 0.0000 0.5000 0.3402 ( 2738 PWs) bands (ev): -46.0574 -46.0574 -22.7874 -22.7867 -22.1509 -22.1501 -22.1161 -22.1151 -14.2568 -14.2567 -6.3525 -6.3489 -5.7831 -5.7807 -5.7403 -5.7352 -0.8612 -0.8436 0.9301 0.9430 1.1847 1.2036 6.2379 6.2399 6.5547 6.5559 6.8760 6.8823 7.6485 7.6520 7.7347 7.7547 8.7854 8.7884 9.1657 9.1866 9.3301 9.3525 10.0875 10.0909 13.6914 13.7047 14.0700 14.0739 14.2639 14.2687 15.2374 15.2444 k = 0.0000 0.5000 0.3528 ( 2738 PWs) bands (ev): -46.0574 -46.0574 -22.7879 -22.7871 -22.1511 -22.1504 -22.1169 -22.1160 -14.2541 -14.2541 -6.3331 -6.3295 -5.7909 -5.7885 -5.7386 -5.7336 -0.8647 -0.8480 0.9190 0.9311 1.1869 1.2053 6.2269 6.2288 6.5159 6.5177 6.8300 6.8354 7.6478 7.6527 7.7129 7.7298 8.7689 8.7711 9.1914 9.2133 9.3434 9.3668 10.1136 10.1168 13.7407 13.7535 14.0713 14.0749 14.2849 14.2893 15.2412 15.2480 k = 0.0000 0.5000 0.3654 ( 2740 PWs) bands (ev): -46.0574 -46.0574 -22.7883 -22.7876 -22.1514 -22.1507 -22.1177 -22.1169 -14.2516 -14.2516 -6.3145 -6.3110 -5.7982 -5.7960 -5.7372 -5.7324 -0.8679 -0.8523 0.9086 0.9199 1.1893 1.2070 6.2148 6.2167 6.4806 6.4830 6.7874 6.7919 7.6449 7.6522 7.6948 7.7075 8.7523 8.7538 9.2153 9.2378 9.3586 9.3826 10.1372 10.1402 13.7876 13.7999 14.0725 14.0758 14.3056 14.3096 15.2438 15.2505 k = 0.0000 0.5000 0.3780 ( 2750 PWs) bands (ev): -46.0573 -46.0573 -22.7887 -22.7881 -22.1517 -22.1510 -22.1184 -22.1177 -14.2493 -14.2493 -6.2968 -6.2934 -5.8052 -5.8030 -5.7360 -5.7314 -0.8708 -0.8564 0.8989 0.9095 1.1919 1.2085 6.2016 6.2036 6.4488 6.4518 6.7484 6.7522 7.6378 7.6488 7.6822 7.6897 8.7360 8.7371 9.2374 9.2598 9.3751 9.3990 10.1584 10.1612 13.8316 13.8433 14.0735 14.0767 14.3256 14.3292 15.2455 15.2519 k = 0.0000 0.5000 0.3906 ( 2746 PWs) bands (ev): -46.0573 -46.0573 -22.7890 -22.7885 -22.1519 -22.1513 -22.1190 -22.1183 -14.2471 -14.2471 -6.2802 -6.2770 -5.8116 -5.8095 -5.7351 -5.7308 -0.8734 -0.8602 0.8902 0.8998 1.1944 1.2099 6.1877 6.1897 6.4208 6.4242 6.7135 6.7165 7.6262 7.6398 7.6756 7.6793 8.7204 8.7211 9.2577 9.2794 9.3923 9.4154 10.1773 10.1799 13.8725 13.8836 14.0745 14.0776 14.3447 14.3479 15.2464 15.2525 k = 0.0000 0.5000 0.4032 ( 2734 PWs) bands (ev): -46.0573 -46.0573 -22.7893 -22.7888 -22.1521 -22.1515 -22.1195 -22.1189 -14.2452 -14.2452 -6.2648 -6.2618 -5.8174 -5.8155 -5.7344 -5.7303 -0.8757 -0.8638 0.8823 0.8910 1.1970 1.2112 6.1733 6.1753 6.3964 6.4000 6.6826 6.6850 7.6124 7.6260 7.6730 7.6753 8.7057 8.7063 9.2762 9.2965 9.4096 9.4311 10.1940 10.1964 13.9100 13.9204 14.0753 14.0784 14.3627 14.3655 15.2467 15.2524 k = 0.0000 0.5000 0.4158 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7895 -22.7891 -22.1522 -22.1517 -22.1200 -22.1194 -14.2434 -14.2434 -6.2507 -6.2479 -5.8227 -5.8209 -5.7339 -5.7302 -0.8777 -0.8671 0.8753 0.8831 1.1995 1.2122 6.1588 6.1608 6.3754 6.3791 6.6559 6.6577 7.5987 7.6109 7.6725 7.6742 8.6922 8.6927 9.2930 9.3113 9.4262 9.4458 10.2086 10.2107 13.9439 13.9536 14.0761 14.0793 14.3792 14.3817 15.2466 15.2518 k = 0.0000 0.5000 0.4284 ( 2724 PWs) bands (ev): -46.0572 -46.0572 -22.7897 -22.7893 -22.1524 -22.1519 -22.1204 -22.1199 -14.2418 -14.2418 -6.2382 -6.2357 -5.8273 -5.8256 -5.7335 -5.7302 -0.8793 -0.8701 0.8693 0.8761 1.2019 1.2131 6.1449 6.1467 6.3578 6.3612 6.6332 6.6345 7.5860 7.5965 7.6728 7.6742 8.6801 8.6806 9.3078 9.3240 9.4418 9.4590 10.2210 10.2229 13.9738 13.9828 14.0767 14.0801 14.3941 14.3962 15.2462 15.2508 k = 0.0000 0.5000 0.4410 ( 2728 PWs) bands (ev): -46.0572 -46.0572 -22.7900 -22.7896 -22.1525 -22.1522 -22.1207 -22.1203 -14.2405 -14.2405 -6.2273 -6.2251 -5.8312 -5.8298 -5.7332 -5.7304 -0.8805 -0.8728 0.8643 0.8700 1.2042 1.2136 6.1320 6.1336 6.3432 6.3463 6.6144 6.6153 7.5749 7.5837 7.6735 7.6745 8.6696 8.6701 9.3207 9.3344 9.4558 9.4704 10.2315 10.2331 13.9995 14.0078 14.0773 14.0810 14.4071 14.4089 15.2456 15.2495 k = 0.0000 0.5000 0.4536 ( 2728 PWs) bands (ev): -46.0572 -46.0572 -22.7901 -22.7899 -22.1527 -22.1524 -22.1210 -22.1207 -14.2394 -14.2394 -6.2181 -6.2163 -5.8344 -5.8332 -5.7330 -5.7307 -0.8814 -0.8752 0.8602 0.8648 1.2063 1.2140 6.1207 6.1221 6.3315 6.3341 6.5993 6.6000 7.5658 7.5728 7.6742 7.6750 8.6609 8.6613 9.3316 9.3427 9.4679 9.4797 10.2400 10.2413 14.0208 14.0283 14.0780 14.0819 14.4180 14.4195 15.2450 15.2483 k = 0.0000 0.5000 0.4663 ( 2724 PWs) bands (ev): -46.0572 -46.0572 -22.7902 -22.7900 -22.1527 -22.1525 -22.1212 -22.1209 -14.2385 -14.2385 -6.2108 -6.2094 -5.8369 -5.8360 -5.7328 -5.7310 -0.8819 -0.8772 0.8572 0.8607 1.2082 1.2140 6.1115 6.1126 6.3226 6.3246 6.5879 6.5883 7.5588 7.5640 7.6748 7.6754 8.6540 8.6543 9.3405 9.3489 9.4779 9.4869 10.2466 10.2476 14.0375 14.0440 14.0788 14.0829 14.4268 14.4279 15.2445 15.2470 k = 0.0000 0.5000 0.4789 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7903 -22.7902 -22.1528 -22.1527 -22.1213 -22.1212 -14.2379 -14.2379 -6.2054 -6.2045 -5.8386 -5.8380 -5.7326 -5.7314 -0.8820 -0.8789 0.8552 0.8576 1.2099 1.2137 6.1048 6.1055 6.3163 6.3178 6.5798 6.5801 7.5539 7.5574 7.6754 7.6758 8.6490 8.6493 9.3473 9.3529 9.4856 9.4916 10.2514 10.2520 14.0494 14.0546 14.0800 14.0837 14.4332 14.4339 15.2442 15.2459 k = 0.0000 0.5000 0.4915 ( 2734 PWs) bands (ev): -46.0572 -46.0572 -22.7904 -22.7903 -22.1529 -22.1528 -22.1214 -22.1213 -14.2375 -14.2375 -6.2021 -6.2016 -5.8396 -5.8393 -5.7324 -5.7318 -0.8818 -0.8802 0.8543 0.8554 1.2112 1.2132 6.1007 6.1010 6.3128 6.3135 6.5751 6.5752 7.5514 7.5531 7.6757 7.6759 8.6461 8.6462 9.3519 9.3547 9.4908 9.4939 10.2543 10.2546 14.0569 14.0598 14.0818 14.0840 14.4371 14.4375 15.2442 15.2450 k = 0.0000 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7904 -22.7904 -22.1528 -22.1528 -22.1214 -22.1214 -14.2374 -14.2374 -6.2008 -6.2008 -5.8398 -5.8398 -5.7321 -5.7321 -0.8812 -0.8812 0.8543 0.8543 1.2124 1.2124 6.0994 6.0994 6.3118 6.3118 6.5736 6.5736 7.5511 7.5511 7.6759 7.6759 8.6451 8.6451 9.3544 9.3544 9.4936 9.4936 10.2553 10.2553 14.0604 14.0604 14.0834 14.0834 14.4386 14.4386 15.2445 15.2445 k = 0.0000 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7904 -22.7904 -22.1528 -22.1528 -22.1214 -22.1214 -14.2374 -14.2374 -6.2008 -6.2008 -5.8398 -5.8398 -5.7321 -5.7321 -0.8812 -0.8812 0.8543 0.8543 1.2124 1.2124 6.0994 6.0994 6.3118 6.3118 6.5736 6.5736 7.5511 7.5511 7.6759 7.6759 8.6451 8.6451 9.3544 9.3544 9.4936 9.4936 10.2553 10.2553 14.0604 14.0604 14.0834 14.0834 14.4386 14.4386 15.2445 15.2445 k = 0.0128 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7904 -22.7903 -22.1529 -22.1528 -22.1214 -22.1214 -14.2373 -14.2373 -6.2000 -6.2000 -5.8396 -5.8396 -5.7319 -5.7317 -0.8833 -0.8812 0.8530 0.8532 1.2087 1.2117 6.0994 6.0994 6.3145 6.3152 6.5736 6.5736 7.5520 7.5521 7.6765 7.6770 8.6402 8.6405 9.3554 9.3557 9.4942 9.4944 10.2554 10.2554 14.0608 14.0615 14.0837 14.0843 14.4389 14.4389 15.2494 15.2503 k = 0.0256 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7905 -22.7904 -22.1529 -22.1528 -22.1216 -22.1216 -14.2370 -14.2370 -6.1976 -6.1975 -5.8388 -5.8387 -5.7312 -5.7309 -0.8876 -0.8834 0.8492 0.8496 1.2008 1.2068 6.0994 6.0995 6.3232 6.3247 6.5736 6.5736 7.5548 7.5550 7.6787 7.6797 8.6258 8.6264 9.3587 9.3591 9.4961 9.4966 10.2558 10.2558 14.0628 14.0643 14.0854 14.0864 14.4401 14.4401 15.2652 15.2669 k = 0.0384 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0572 -46.0572 -22.7906 -22.7905 -22.1529 -22.1528 -22.1218 -22.1218 -14.2365 -14.2365 -6.1936 -6.1935 -5.8375 -5.8374 -5.7301 -5.7295 -0.8941 -0.8878 0.8429 0.8435 1.1887 1.1977 6.0995 6.0996 6.3379 6.3401 6.5737 6.5737 7.5594 7.5597 7.6825 7.6840 8.6023 8.6030 9.3642 9.3648 9.4993 9.5001 10.2563 10.2563 14.0665 14.0686 14.0883 14.0897 14.4420 14.4420 15.2914 15.2939 k = 0.0511 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0572 -46.0572 -22.7908 -22.7906 -22.1530 -22.1528 -22.1222 -22.1222 -14.2358 -14.2358 -6.1881 -6.1879 -5.8356 -5.8356 -5.7284 -5.7276 -0.9026 -0.8943 0.8342 0.8350 1.1726 1.1845 6.0996 6.0997 6.3583 6.3612 6.5737 6.5737 7.5657 7.5661 7.6880 7.6899 8.5699 8.5708 9.3718 9.3726 9.5040 9.5050 10.2571 10.2571 14.0716 14.0745 14.0927 14.0944 14.4446 14.4446 15.3276 15.3308 k = 0.0639 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7910 -22.7908 -22.1531 -22.1529 -22.1226 -22.1226 -14.2349 -14.2349 -6.1810 -6.1808 -5.8333 -5.8332 -5.7262 -5.7253 -0.9132 -0.9029 0.8232 0.8242 1.1527 1.1674 6.0997 6.0999 6.3844 6.3877 6.5738 6.5738 7.5734 7.5740 7.6950 7.6974 8.5293 8.5304 9.3816 9.3826 9.5101 9.5113 10.2581 10.2581 14.0783 14.0820 14.0986 14.1005 14.4480 14.4480 15.3733 15.3770 k = 0.0767 0.5000 0.5041 ( 2738 PWs) bands (ev): -46.0571 -46.0571 -22.7912 -22.7910 -22.1532 -22.1529 -22.1231 -22.1230 -14.2338 -14.2338 -6.1724 -6.1721 -5.8304 -5.8303 -5.7235 -5.7224 -0.9257 -0.9135 0.8099 0.8111 1.1293 1.1466 6.0998 6.1000 6.4158 6.4195 6.5739 6.5740 7.5823 7.5832 7.7037 7.7065 8.4810 8.4822 9.3935 9.3947 9.5177 9.5190 10.2593 10.2593 14.0865 14.0909 14.1061 14.1080 14.4521 14.4521 15.4276 15.4318 k = 0.0895 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7915 -22.7912 -22.1533 -22.1530 -22.1237 -22.1236 -14.2326 -14.2326 -6.1623 -6.1620 -5.8271 -5.8270 -5.7204 -5.7191 -0.9400 -0.9260 0.7945 0.7960 1.1025 1.1224 6.0999 6.1002 6.4521 6.4560 6.5740 6.5742 7.5922 7.5934 7.7139 7.7172 8.4258 8.4271 9.4075 9.4089 9.5267 9.5281 10.2606 10.2607 14.0962 14.1013 14.1152 14.1171 14.4568 14.4568 15.4899 15.4945 k = 0.1023 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7918 -22.7915 -22.1534 -22.1530 -22.1243 -22.1242 -14.2311 -14.2311 -6.1508 -6.1505 -5.8233 -5.8232 -5.7168 -5.7154 -0.9561 -0.9404 0.7771 0.7788 1.0728 1.0949 6.1000 6.1003 6.4931 6.4968 6.5741 6.5746 7.6027 7.6043 7.7256 7.7293 8.3645 8.3658 9.4236 9.4251 9.5374 9.5388 10.2622 10.2623 14.1073 14.1131 14.1259 14.1277 14.4622 14.4623 15.5591 15.5640 k = 0.1151 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7922 -22.7918 -22.1535 -22.1531 -22.1250 -22.1249 -14.2295 -14.2295 -6.1380 -6.1377 -5.8191 -5.8190 -5.7128 -5.7112 -0.9739 -0.9565 0.7579 0.7597 1.0403 1.0647 6.1001 6.1004 6.5382 6.5408 6.5743 6.5758 7.6135 7.6156 7.7387 7.7428 8.2978 8.2992 9.4417 9.4433 9.5496 9.5512 10.2639 10.2640 14.1200 14.1262 14.1382 14.1399 14.4683 14.4683 15.6345 15.6395 k = 0.1278 0.5000 0.5041 ( 2744 PWs) bands (ev): -46.0570 -46.0570 -22.7925 -22.7921 -22.1537 -22.1533 -22.1257 -22.1257 -14.2278 -14.2278 -6.1239 -6.1236 -5.8144 -5.8143 -5.7083 -5.7066 -0.9931 -0.9742 0.7369 0.7390 1.0055 1.0318 6.1002 6.1005 6.5711 6.5743 6.5873 6.5943 7.6243 7.6270 7.7530 7.7576 8.2267 8.2281 9.4617 9.4635 9.5636 9.5652 10.2659 10.2660 14.1340 14.1407 14.1520 14.1536 14.4749 14.4750 15.7150 15.7201 k = 0.1406 0.5000 0.5041 ( 2744 PWs) bands (ev): -46.0570 -46.0570 -22.7929 -22.7925 -22.1539 -22.1534 -22.1265 -22.1264 -14.2259 -14.2259 -6.1087 -6.1083 -5.8094 -5.8092 -5.7035 -5.7016 -1.0137 -0.9934 0.7144 0.7167 0.9687 0.9968 6.1001 6.1004 6.5734 6.5746 6.6393 6.6439 7.6346 7.6381 7.7683 7.7732 8.1523 8.1536 9.4836 9.4855 9.5795 9.5811 10.2679 10.2681 14.1495 14.1564 14.1672 14.1688 14.4821 14.4822 15.7996 15.8049 k = 0.1534 0.5000 0.5041 ( 2742 PWs) bands (ev): -46.0570 -46.0570 -22.7934 -22.7929 -22.1541 -22.1536 -22.1273 -22.1273 -14.2238 -14.2238 -6.0923 -6.0919 -5.8040 -5.8038 -5.6983 -5.6962 -1.0355 -1.0140 0.6904 0.6930 0.9302 0.9599 6.0999 6.1003 6.5741 6.5749 6.6942 6.6979 7.6440 7.6483 7.7840 7.7895 8.0760 8.0771 9.5073 9.5093 9.5973 9.5990 10.2702 10.2703 14.1663 14.1734 14.1838 14.1854 14.4898 14.4900 15.8875 15.8927 k = 0.1662 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0569 -46.0569 -22.7938 -22.7933 -22.1543 -22.1537 -22.1281 -22.1281 -14.2217 -14.2217 -6.0749 -6.0744 -5.7982 -5.7981 -5.6928 -5.6906 -1.0585 -1.0358 0.6653 0.6682 0.8903 0.9214 6.0996 6.1000 6.5745 6.5752 6.7515 6.7542 7.6516 7.6568 7.7992 7.8054 8.0000 8.0007 9.5327 9.5347 9.6171 9.6189 10.2725 10.2727 14.1844 14.1915 14.2015 14.2032 14.4980 14.4982 15.9775 15.9827 k = 0.1790 0.5000 0.5041 ( 2742 PWs) bands (ev): -46.0569 -46.0569 -22.7943 -22.7937 -22.1546 -22.1540 -22.1290 -22.1290 -14.2194 -14.2194 -6.0565 -6.0561 -5.7922 -5.7921 -5.6869 -5.6846 -1.0823 -1.0586 0.6391 0.6423 0.8494 0.8817 6.0991 6.0996 6.5749 6.5755 6.8105 6.8122 7.6557 7.6615 7.8107 7.8184 7.9295 7.9297 9.5597 9.5616 9.6391 9.6409 10.2750 10.2752 14.2037 14.2107 14.2204 14.2222 14.5066 14.5069 16.0687 16.0738 k = 0.1918 0.5000 0.5041 ( 2742 PWs) bands (ev): -46.0569 -46.0569 -22.7948 -22.7942 -22.1549 -22.1542 -22.1299 -22.1298 -14.2171 -14.2171 -6.0374 -6.0369 -5.7858 -5.7857 -5.6808 -5.6783 -1.1069 -1.0824 0.6121 0.6155 0.8078 0.8411 6.0984 6.0988 6.5752 6.5758 6.8709 6.8712 7.6516 7.6575 7.8048 7.8151 7.8822 7.8836 9.5880 9.5898 9.6633 9.6652 10.2775 10.2778 14.2241 14.2310 14.2403 14.2422 14.5156 14.5159 16.1600 16.1651 k = 0.2045 0.5000 0.5041 ( 2738 PWs) bands (ev): -46.0568 -46.0568 -22.7952 -22.7947 -22.1552 -22.1545 -22.1307 -22.1306 -14.2147 -14.2147 -6.0175 -6.0170 -5.7793 -5.7792 -5.6745 -5.6719 -1.1321 -1.1069 0.5844 0.5882 0.7658 0.7999 6.0974 6.0979 6.5756 6.5761 6.9308 6.9319 7.6285 7.6334 7.7752 7.7861 7.8797 7.8801 9.6176 9.6193 9.6897 9.6917 10.2802 10.2805 14.2454 14.2521 14.2610 14.2630 14.5250 14.5253 16.2503 16.2555 k = 0.2173 0.5000 0.5041 ( 2732 PWs) bands (ev): -46.0568 -46.0568 -22.7957 -22.7951 -22.1556 -22.1548 -22.1315 -22.1314 -14.2122 -14.2122 -5.9971 -5.9966 -5.7726 -5.7725 -5.6679 -5.6652 -1.1577 -1.1320 0.5563 0.5603 0.7236 0.7584 6.0960 6.0965 6.5760 6.5765 6.9904 6.9932 7.5776 7.5812 7.7568 7.7695 7.8920 7.8936 9.6483 9.6497 9.7183 9.7205 10.2829 10.2833 14.2677 14.2742 14.2825 14.2846 14.5346 14.5349 16.3387 16.3439 k = 0.2301 0.5000 0.5041 ( 2734 PWs) bands (ev): -46.0568 -46.0568 -22.7963 -22.7957 -22.1561 -22.1552 -22.1324 -22.1322 -14.2097 -14.2096 -5.9762 -5.9757 -5.7657 -5.7657 -5.6612 -5.6584 -1.1835 -1.1575 0.5278 0.5322 0.6817 0.7169 6.0943 6.0947 6.5764 6.5769 7.0494 7.0541 7.5083 7.5111 7.7537 7.7683 7.9077 7.9098 9.6798 9.6811 9.7490 9.7514 10.2857 10.2862 14.2906 14.2968 14.3047 14.3069 14.5444 14.5448 16.4238 16.4292 k = 0.2429 0.5000 0.5041 ( 2734 PWs) bands (ev): -46.0567 -46.0567 -22.7968 -22.7962 -22.1565 -22.1557 -22.1331 -22.1330 -14.2071 -14.2071 -5.9550 -5.9545 -5.7587 -5.7587 -5.6544 -5.6515 -1.2095 -1.1833 0.4993 0.5040 0.6401 0.6756 6.0920 6.0925 6.5769 6.5773 7.1072 7.1139 7.4321 7.4346 7.7579 7.7744 7.9240 7.9263 9.7122 9.7132 9.7816 9.7841 10.2885 10.2890 14.3142 14.3201 14.3273 14.3297 14.5544 14.5548 16.5046 16.5103 k = 0.2557 0.5000 0.5041 ( 2736 PWs) bands (ev): -46.0567 -46.0567 -22.7973 -22.7967 -22.1571 -22.1562 -22.1339 -22.1337 -14.2045 -14.2045 -5.9337 -5.9331 -5.7517 -5.7516 -5.6474 -5.6445 -1.2353 -1.2092 0.4708 0.4758 0.5992 0.6348 6.0891 6.0896 6.5773 6.5777 7.1629 7.1717 7.3546 7.3568 7.7654 7.7840 7.9400 7.9424 9.7452 9.7460 9.8159 9.8185 10.2913 10.2919 14.3381 14.3437 14.3504 14.3528 14.5645 14.5650 16.5800 16.5861 k = 0.2685 0.5000 0.5041 ( 2736 PWs) bands (ev): -46.0566 -46.0566 -22.7979 -22.7973 -22.1576 -22.1567 -22.1346 -22.1344 -14.2020 -14.2020 -5.9122 -5.9116 -5.7446 -5.7446 -5.6405 -5.6375 -1.2610 -1.2349 0.4426 0.4480 0.5592 0.5947 6.0856 6.0861 6.5777 6.5781 7.2127 7.2225 7.2826 7.2834 7.7751 7.7956 7.9554 7.9578 9.7789 9.7794 9.8515 9.8542 10.2941 10.2948 14.3623 14.3676 14.3736 14.3762 14.5746 14.5752 16.6488 16.6556 k = 0.2812 0.5000 0.5041 ( 2744 PWs) bands (ev): -46.0566 -46.0566 -22.7984 -22.7978 -22.1582 -22.1573 -22.1353 -22.1350 -14.1994 -14.1994 -5.8908 -5.8903 -5.7376 -5.7375 -5.6335 -5.6305 -1.2862 -1.2605 0.4148 0.4205 0.5203 0.5555 6.0814 6.0819 6.5782 6.5785 7.1936 7.1946 7.2771 7.2896 7.7863 7.8089 7.9699 7.9724 9.8129 9.8133 9.8881 9.8908 10.2969 10.2977 14.3867 14.3916 14.3971 14.3997 14.5848 14.5854 16.7101 16.7177 k = 0.2940 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.7989 -22.7983 -22.1588 -22.1579 -22.1358 -22.1356 -14.1969 -14.1969 -5.8697 -5.8691 -5.7307 -5.7306 -5.6266 -5.6236 -1.3108 -1.2856 0.3876 0.3937 0.4826 0.5175 6.0763 6.0768 6.5786 6.5789 7.1230 7.1247 7.3221 7.3377 7.7992 7.8237 7.9835 7.9859 9.8473 9.8475 9.9253 9.9280 10.2997 10.3006 14.4109 14.4154 14.4205 14.4232 14.5950 14.5956 16.7632 16.7720 k = 0.3068 0.5000 0.5041 ( 2738 PWs) bands (ev): -46.0565 -46.0565 -22.7994 -22.7988 -22.1594 -22.1586 -22.1363 -22.1361 -14.1945 -14.1945 -5.8489 -5.8484 -5.7239 -5.7237 -5.6197 -5.6168 -1.3348 -1.3102 0.3612 0.3676 0.4465 0.4808 6.0703 6.0708 6.5790 6.5793 7.0539 7.0556 7.3661 7.3840 7.8139 7.8400 7.9960 7.9985 9.8817 9.8818 9.9628 9.9655 10.3024 10.3034 14.4348 14.4389 14.4438 14.4466 14.6051 14.6057 16.8078 16.8179 k = 0.3196 0.5000 0.5041 ( 2744 PWs) bands (ev): -46.0565 -46.0565 -22.7999 -22.7994 -22.1601 -22.1592 -22.1368 -22.1366 -14.1921 -14.1921 -5.8287 -5.8281 -5.7172 -5.7170 -5.6131 -5.6101 -1.3578 -1.3341 0.3356 0.3424 0.4121 0.4456 6.0633 6.0638 6.5795 6.5797 6.9883 6.9900 7.4064 7.4261 7.8305 7.8578 8.0075 8.0099 9.9159 9.9160 10.0001 10.0028 10.3050 10.3062 14.4581 14.4618 14.4668 14.4697 14.6151 14.6158 16.8439 16.8556 k = 0.3324 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0565 -46.0565 -22.8004 -22.7999 -22.1608 -22.1599 -22.1372 -22.1370 -14.1898 -14.1898 -5.8091 -5.8086 -5.7107 -5.7105 -5.6066 -5.6037 -1.3799 -1.3571 0.3111 0.3182 0.3794 0.4120 6.0553 6.0558 6.5799 6.5801 6.9271 6.9286 7.4426 7.4635 7.8492 7.8771 8.0180 8.0203 9.9498 9.9498 10.0369 10.0396 10.3075 10.3089 14.4807 14.4839 14.4895 14.4925 14.6249 14.6256 16.8720 16.8855 k = 0.3452 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0564 -46.0564 -22.8008 -22.8003 -22.1614 -22.1606 -22.1376 -22.1373 -14.1876 -14.1876 -5.7904 -5.7898 -5.7045 -5.7042 -5.6003 -5.5975 -1.4009 -1.3792 0.2878 0.2952 0.3488 0.3803 6.0463 6.0467 6.5802 6.5804 6.8706 6.8720 7.4744 7.4959 7.8698 7.8976 8.0273 8.0297 9.9828 9.9829 10.0729 10.0756 10.3099 10.3115 14.5023 14.5051 14.5118 14.5147 14.6346 14.6353 16.8930 16.9083 k = 0.3579 0.5000 0.5041 ( 2740 PWs) bands (ev): -46.0564 -46.0564 -22.8013 -22.8008 -22.1620 -22.1612 -22.1379 -22.1377 -14.1855 -14.1855 -5.7726 -5.7720 -5.6985 -5.6981 -5.5943 -5.5917 -1.4205 -1.4001 0.2659 0.2734 0.3203 0.3505 6.0363 6.0367 6.5806 6.5807 6.8191 6.8204 7.5019 7.5232 7.8921 7.9191 8.0357 8.0381 10.0149 10.0149 10.1075 10.1103 10.3122 10.3139 14.5226 14.5251 14.5333 14.5362 14.6442 14.6449 16.9078 16.9251 k = 0.3707 0.5000 0.5041 ( 2744 PWs) bands (ev): -46.0564 -46.0564 -22.8017 -22.8012 -22.1627 -22.1619 -22.1382 -22.1380 -14.1836 -14.1836 -5.7559 -5.7553 -5.6928 -5.6924 -5.5886 -5.5861 -1.4388 -1.4197 0.2453 0.2530 0.2940 0.3227 6.0254 6.0258 6.5808 6.5809 6.7729 6.7740 7.5253 7.5458 7.9156 7.9411 8.0431 8.0456 10.0455 10.0457 10.1406 10.1434 10.3143 10.3163 14.5416 14.5437 14.5540 14.5568 14.6535 14.6542 16.9175 16.9369 k = 0.3835 0.5000 0.5041 ( 2750 PWs) bands (ev): -46.0564 -46.0564 -22.8021 -22.8017 -22.1633 -22.1626 -22.1384 -22.1382 -14.1818 -14.1818 -5.7405 -5.7399 -5.6874 -5.6870 -5.5833 -5.5810 -1.4556 -1.4380 0.2264 0.2341 0.2702 0.2972 6.0139 6.0142 6.5810 6.5811 6.7319 6.7330 7.5449 7.5641 7.9396 7.9630 8.0496 8.0522 10.0746 10.0747 10.1717 10.1746 10.3163 10.3186 14.5590 14.5609 14.5736 14.5762 14.6626 14.6632 16.9233 16.9446 k = 0.3963 0.5000 0.5041 ( 2750 PWs) bands (ev): -46.0563 -46.0563 -22.8024 -22.8020 -22.1638 -22.1632 -22.1386 -22.1384 -14.1801 -14.1801 -5.7265 -5.7259 -5.6823 -5.6818 -5.5784 -5.5763 -1.4709 -1.4549 0.2091 0.2166 0.2489 0.2739 6.0020 6.0023 6.5811 6.5812 6.6963 6.6972 7.5612 7.5788 7.9634 7.9841 8.0552 8.0581 10.1016 10.1017 10.2005 10.2036 10.3181 10.3207 14.5747 14.5763 14.5919 14.5943 14.6715 14.6720 16.9261 16.9493 k = 0.4091 0.5000 0.5041 ( 2752 PWs) bands (ev): -46.0563 -46.0563 -22.8027 -22.8024 -22.1643 -22.1637 -22.1388 -22.1386 -14.1786 -14.1786 -5.7141 -5.7135 -5.6775 -5.6770 -5.5740 -5.5720 -1.4844 -1.4701 0.1936 0.2008 0.2302 0.2529 5.9900 5.9903 6.5811 6.5811 6.6659 6.6666 7.5747 7.5903 7.9862 8.0040 8.0601 8.0632 10.1263 10.1264 10.2267 10.2301 10.3197 10.3227 14.5886 14.5900 14.6087 14.6108 14.6800 14.6804 16.9269 16.9518 k = 0.4219 0.5000 0.5041 ( 2760 PWs) bands (ev): -46.0563 -46.0563 -22.8030 -22.8027 -22.1648 -22.1643 -22.1390 -22.1388 -14.1773 -14.1773 -5.7034 -5.7028 -5.6729 -5.6724 -5.5700 -5.5683 -1.4962 -1.4837 0.1800 0.1865 0.2143 0.2344 5.9784 5.9786 6.5807 6.5808 6.6406 6.6411 7.5857 7.5992 8.0074 8.0219 8.0642 8.0677 10.1485 10.1486 10.2500 10.2538 10.3211 10.3247 14.6006 14.6017 14.6238 14.6256 14.6880 14.6884 16.9264 16.9525 k = 0.4346 0.5000 0.5041 ( 2768 PWs) bands (ev): -46.0563 -46.0563 -22.8033 -22.8030 -22.1652 -22.1647 -22.1391 -22.1390 -14.1762 -14.1762 -5.6945 -5.6939 -5.6686 -5.6681 -5.5665 -5.5651 -1.5061 -1.4955 0.1683 0.1741 0.2011 0.2183 5.9677 5.9678 6.5798 6.5800 6.6204 6.6207 7.5946 7.6059 8.0264 8.0374 8.0677 8.0718 10.1677 10.1678 10.2700 10.2743 10.3224 10.3266 14.6107 14.6115 14.6369 14.6385 14.6954 14.6957 16.9254 16.9519 k = 0.4474 0.5000 0.5041 ( 2782 PWs) bands (ev): -46.0563 -46.0563 -22.8035 -22.8033 -22.1655 -22.1652 -22.1392 -22.1391 -14.1752 -14.1752 -5.6876 -5.6870 -5.6645 -5.6640 -5.5636 -5.5624 -1.5142 -1.5056 0.1587 0.1635 0.1906 0.2048 5.9581 5.9582 6.5779 6.5782 6.6054 6.6055 7.6017 7.6108 8.0426 8.0499 8.0706 8.0756 10.1839 10.1840 10.2864 10.2914 10.3235 10.3284 14.6188 14.6194 14.6481 14.6494 14.7019 14.7021 16.9244 16.9502 k = 0.4602 0.5000 0.5041 ( 2790 PWs) bands (ev): -46.0563 -46.0563 -22.8037 -22.8035 -22.1658 -22.1655 -22.1394 -22.1393 -14.1745 -14.1745 -5.6824 -5.6820 -5.6609 -5.6605 -5.5613 -5.5603 -1.5204 -1.5137 0.1512 0.1550 0.1828 0.1938 5.9502 5.9502 6.5743 6.5747 6.5961 6.5962 7.6073 7.6142 8.0555 8.0590 8.0734 8.0792 10.1968 10.1969 10.2991 10.3046 10.3248 10.3303 14.6250 14.6255 14.6570 14.6580 14.7073 14.7075 16.9243 16.9474 k = 0.4730 0.5000 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8037 -22.1659 -22.1657 -22.1394 -22.1393 -14.1739 -14.1739 -5.6789 -5.6786 -5.6579 -5.6576 -5.5595 -5.5589 -1.5245 -1.5199 0.1459 0.1485 0.1777 0.1853 5.9441 5.9442 6.5696 6.5700 6.5916 6.5918 7.6114 7.6162 8.0643 8.0649 8.0764 8.0822 10.2063 10.2063 10.3080 10.3133 10.3268 10.3321 14.6295 14.6298 14.6636 14.6642 14.7114 14.7115 16.9253 16.9436 k = 0.4858 0.5000 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8038 -22.1660 -22.1659 -22.1394 -22.1394 -14.1736 -14.1736 -5.6769 -5.6767 -5.6559 -5.6558 -5.5584 -5.5580 -1.5267 -1.5242 0.1429 0.1443 0.1753 0.1794 5.9403 5.9404 6.5659 6.5662 6.5899 6.5900 7.6144 7.6170 8.0682 8.0685 8.0801 8.0840 10.2122 10.2122 10.3135 10.3169 10.3299 10.3332 14.6323 14.6324 14.6677 14.6681 14.7141 14.7141 16.9279 16.9390 k = 0.4986 0.5000 0.5041 ( 2796 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8038 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6551 -5.6550 -5.5578 -5.5578 -1.5269 -1.5264 0.1420 0.1423 0.1754 0.1762 5.9389 5.9389 6.5644 6.5645 6.5894 6.5894 7.6161 7.6166 8.0696 8.0697 8.0829 8.0836 10.2144 10.2144 10.3163 10.3169 10.3323 10.3330 14.6333 14.6334 14.6694 14.6695 14.7151 14.7151 16.9321 16.9342 k = 0.4986 0.5000 0.5041 ( 2796 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8038 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6551 -5.6550 -5.5578 -5.5578 -1.5269 -1.5264 0.1420 0.1423 0.1754 0.1762 5.9389 5.9389 6.5644 6.5645 6.5894 6.5894 7.6161 7.6166 8.0696 8.0697 8.0829 8.0836 10.2144 10.2144 10.3163 10.3169 10.3323 10.3330 14.6333 14.6334 14.6694 14.6695 14.7151 14.7151 16.9321 16.9342 k = 0.4896 0.4911 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8038 -22.1660 -22.1659 -22.1394 -22.1394 -14.1736 -14.1736 -5.6768 -5.6766 -5.6561 -5.6559 -5.5585 -5.5580 -1.5271 -1.5237 0.1427 0.1446 0.1746 0.1802 5.9403 5.9404 6.5661 6.5664 6.5898 6.5900 7.6139 7.6174 8.0676 8.0678 8.0802 8.0851 10.2121 10.2122 10.3132 10.3177 10.3289 10.3334 14.6322 14.6324 14.6676 14.6681 14.7140 14.7141 16.9251 16.9395 k = 0.4807 0.4821 0.5041 ( 2788 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8036 -22.1660 -22.1657 -22.1394 -22.1393 -14.1739 -14.1739 -5.6784 -5.6782 -5.6584 -5.6582 -5.5597 -5.5588 -1.5253 -1.5190 0.1456 0.1491 0.1764 0.1867 5.9440 5.9440 6.5706 6.5711 6.5910 6.5912 7.6105 7.6170 8.0616 8.0632 8.0778 8.0850 10.2064 10.2065 10.3080 10.3168 10.3231 10.3319 14.6294 14.6298 14.6633 14.6643 14.7113 14.7114 16.9190 16.9426 k = 0.4718 0.4732 0.5041 ( 2784 PWs) bands (ev): -46.0563 -46.0563 -22.8037 -22.8035 -22.1658 -22.1654 -22.1393 -22.1392 -14.1745 -14.1745 -5.6814 -5.6813 -5.6615 -5.6615 -5.5615 -5.5602 -1.5216 -1.5124 0.1505 0.1556 0.1809 0.1959 5.9497 5.9498 6.5777 6.5784 6.5929 6.5932 7.6058 7.6154 8.0513 8.0565 8.0760 8.0836 10.1974 10.1975 10.3005 10.3125 10.3169 10.3287 14.6250 14.6256 14.6566 14.6580 14.7071 14.7073 16.9150 16.9446 k = 0.4629 0.4643 0.5041 ( 2772 PWs) bands (ev): -46.0563 -46.0563 -22.8035 -22.8032 -22.1655 -22.1651 -22.1392 -22.1391 -14.1752 -14.1752 -5.6865 -5.6862 -5.6653 -5.6649 -5.5639 -5.5622 -1.5160 -1.5040 0.1573 0.1636 0.1885 0.2078 5.9576 5.9577 6.5875 6.5885 6.5957 6.5961 7.5997 7.6126 8.0375 8.0473 8.0739 8.0814 10.1850 10.1852 10.2907 10.3024 10.3126 10.3241 14.6191 14.6199 14.6475 14.6493 14.7013 14.7015 16.9138 16.9472 k = 0.4540 0.4554 0.5041 ( 2760 PWs) bands (ev): -46.0563 -46.0563 -22.8033 -22.8029 -22.1652 -22.1646 -22.1391 -22.1389 -14.1761 -14.1761 -5.6942 -5.6933 -5.6691 -5.6680 -5.5667 -5.5647 -1.5086 -1.4938 0.1659 0.1728 0.1995 0.2224 5.9674 5.9674 6.5990 6.5991 6.6008 6.6015 7.5922 7.6084 8.0208 8.0355 8.0715 8.0785 10.1695 10.1696 10.2784 10.2892 10.3078 10.3182 14.6116 14.6125 14.6360 14.6382 14.6941 14.6943 16.9157 16.9514 k = 0.4451 0.4464 0.5041 ( 2760 PWs) bands (ev): -46.0563 -46.0563 -22.8031 -22.8027 -22.1648 -22.1641 -22.1390 -22.1388 -14.1773 -14.1773 -5.7045 -5.7030 -5.6725 -5.6707 -5.5701 -5.5677 -1.4994 -1.4819 0.1761 0.1828 0.2141 0.2398 5.9790 5.9790 6.6037 6.6042 6.6154 6.6167 7.5831 7.6028 8.0016 8.0214 8.0687 8.0752 10.1509 10.1510 10.2638 10.2738 10.3019 10.3112 14.6025 14.6036 14.6221 14.6248 14.6855 14.6856 16.9207 16.9578 k = 0.4362 0.4375 0.5041 ( 2760 PWs) bands (ev): -46.0563 -46.0563 -22.8028 -22.8023 -22.1644 -22.1636 -22.1389 -22.1387 -14.1786 -14.1786 -5.7171 -5.7150 -5.6758 -5.6734 -5.5738 -5.5711 -1.4884 -1.4683 0.1878 0.1939 0.2321 0.2600 5.9922 5.9923 6.6093 6.6099 6.6332 6.6346 7.5722 7.5955 7.9803 8.0054 8.0655 8.0715 10.1293 10.1295 10.2470 10.2564 10.2948 10.3032 14.5917 14.5930 14.6061 14.6091 14.6755 14.6756 16.9286 16.9665 k = 0.4273 0.4286 0.5041 ( 2752 PWs) bands (ev): -46.0563 -46.0563 -22.8025 -22.8020 -22.1638 -22.1629 -22.1388 -22.1385 -14.1801 -14.1801 -5.7317 -5.7292 -5.6789 -5.6761 -5.5779 -5.5749 -1.4759 -1.4532 0.2011 0.2060 0.2532 0.2829 6.0069 6.0070 6.6161 6.6167 6.6536 6.6550 7.5593 7.5861 7.9576 7.9881 8.0619 8.0675 10.1049 10.1051 10.2282 10.2373 10.2865 10.2941 14.5785 14.5805 14.5887 14.5916 14.6642 14.6643 16.9392 16.9773 k = 0.4184 0.4196 0.5041 ( 2756 PWs) bands (ev): -46.0564 -46.0564 -22.8022 -22.8016 -22.1633 -22.1623 -22.1387 -22.1384 -14.1818 -14.1818 -5.7482 -5.7454 -5.6822 -5.6788 -5.5822 -5.5790 -1.4619 -1.4367 0.2157 0.2194 0.2771 0.3084 6.0228 6.0231 6.6241 6.6248 6.6764 6.6779 7.5442 7.5745 7.9342 7.9699 8.0580 8.0633 10.0780 10.0782 10.2078 10.2167 10.2770 10.2838 14.5612 14.5645 14.5717 14.5738 14.6517 14.6517 16.9518 16.9898 k = 0.4095 0.4107 0.5041 ( 2752 PWs) bands (ev): -46.0564 -46.0564 -22.8018 -22.8011 -22.1626 -22.1615 -22.1385 -22.1382 -14.1837 -14.1837 -5.7665 -5.7634 -5.6855 -5.6818 -5.5868 -5.5834 -1.4464 -1.4189 0.2316 0.2341 0.3036 0.3364 6.0397 6.0401 6.6336 6.6343 6.7016 6.7031 7.5265 7.5602 7.9107 7.9515 8.0539 8.0588 10.0487 10.0488 10.1860 10.1949 10.2661 10.2724 14.5390 14.5434 14.5560 14.5574 14.6380 14.6381 16.9660 17.0034 k = 0.4006 0.4018 0.5041 ( 2752 PWs) bands (ev): -46.0564 -46.0564 -22.8014 -22.8007 -22.1619 -22.1607 -22.1384 -22.1380 -14.1858 -14.1857 -5.7864 -5.7830 -5.6890 -5.6849 -5.5915 -5.5879 -1.4296 -1.3999 0.2489 0.2501 0.3325 0.3666 6.0573 6.0579 6.6447 6.6454 6.7292 6.7306 7.5063 7.5428 7.8881 7.9335 8.0497 8.0542 10.0171 10.0172 10.1630 10.1721 10.2540 10.2598 14.5135 14.5186 14.5401 14.5413 14.6233 14.6235 16.9807 17.0171 k = 0.3917 0.3929 0.5041 ( 2752 PWs) bands (ev): -46.0564 -46.0564 -22.8009 -22.8002 -22.1611 -22.1599 -22.1382 -22.1378 -14.1880 -14.1880 -5.8079 -5.8042 -5.6927 -5.6883 -5.5963 -5.5925 -1.4116 -1.3797 0.2675 0.2675 0.3636 0.3990 6.0753 6.0761 6.6577 6.6583 6.7589 6.7603 7.4833 7.5219 7.8671 7.9165 8.0454 8.0496 9.9837 9.9837 10.1391 10.1485 10.2406 10.2459 14.4853 14.4910 14.5234 14.5245 14.6076 14.6079 16.9950 17.0300 k = 0.3828 0.3839 0.5041 ( 2752 PWs) bands (ev): -46.0565 -46.0565 -22.8004 -22.7997 -22.1603 -22.1590 -22.1380 -22.1376 -14.1904 -14.1904 -5.8307 -5.8269 -5.6966 -5.6918 -5.6011 -5.5971 -1.3926 -1.3587 0.2861 0.2873 0.3966 0.4332 6.0934 6.0944 6.6726 6.6731 6.7907 6.7919 7.4576 7.4974 7.8484 7.9010 8.0412 8.0450 9.9484 9.9485 10.1145 10.1242 10.2259 10.2307 14.4548 14.4611 14.5058 14.5069 14.5910 14.5914 17.0076 17.0406 k = 0.3739 0.3750 0.5041 ( 2746 PWs) bands (ev): -46.0565 -46.0565 -22.7999 -22.7991 -22.1594 -22.1580 -22.1378 -22.1373 -14.1929 -14.1929 -5.8549 -5.8508 -5.7007 -5.6955 -5.6058 -5.6017 -1.3725 -1.3368 0.3059 0.3083 0.4313 0.4691 6.1114 6.1126 6.6896 6.6901 6.8244 6.8254 7.4293 7.4693 7.8324 7.8874 8.0372 8.0405 9.9116 9.9118 10.0894 10.0996 10.2097 10.2142 14.4220 14.4288 14.4874 14.4884 14.5736 14.5742 17.0168 17.0474 k = 0.3650 0.3661 0.5041 ( 2754 PWs) bands (ev): -46.0566 -46.0566 -22.7994 -22.7985 -22.1585 -22.1570 -22.1376 -22.1371 -14.1956 -14.1956 -5.8802 -5.8760 -5.7049 -5.6995 -5.6104 -5.6062 -1.3517 -1.3142 0.3270 0.3304 0.4676 0.5065 6.1290 6.1303 6.7090 6.7092 6.8598 6.8605 7.3987 7.4381 7.8194 7.8759 8.0335 8.0362 9.8736 9.8740 10.0638 10.0746 10.1922 10.1963 14.3870 14.3943 14.4682 14.4691 14.5556 14.5562 17.0210 17.0488 k = 0.3561 0.3571 0.5041 ( 2750 PWs) bands (ev): -46.0566 -46.0566 -22.7988 -22.7979 -22.1575 -22.1559 -22.1373 -22.1368 -14.1985 -14.1985 -5.9067 -5.9022 -5.7093 -5.7036 -5.6148 -5.6105 -1.3300 -1.2909 0.3492 0.3536 0.5051 0.5451 6.1458 6.1474 6.7308 6.7308 6.8966 6.8971 7.3662 7.4042 7.8094 7.8668 8.0303 8.0324 9.8347 9.8352 10.0380 10.0494 10.1732 10.1769 14.3498 14.3577 14.4484 14.4492 14.5369 14.5376 17.0185 17.0431 k = 0.3472 0.3482 0.5041 ( 2746 PWs) bands (ev): -46.0566 -46.0566 -22.7982 -22.7972 -22.1564 -22.1548 -22.1370 -22.1365 -14.2014 -14.2014 -5.9340 -5.9295 -5.7138 -5.7079 -5.6189 -5.6145 -1.3078 -1.2673 0.3724 0.3779 0.5436 0.5846 6.1618 6.1635 6.7547 6.7551 6.9347 6.9348 7.3325 7.3683 7.8023 7.8600 8.0277 8.0290 9.7950 9.7958 10.0120 10.0240 10.1528 10.1562 14.3105 14.3190 14.4280 14.4288 14.5177 14.5185 17.0078 17.0292 k = 0.3383 0.3393 0.5041 ( 2742 PWs) bands (ev): -46.0567 -46.0567 -22.7975 -22.7965 -22.1553 -22.1536 -22.1367 -22.1362 -14.2045 -14.2045 -5.9623 -5.9576 -5.7185 -5.7123 -5.6227 -5.6182 -1.2851 -1.2432 0.3966 0.4031 0.5828 0.6248 6.1768 6.1787 6.7811 6.7818 6.9734 6.9737 7.2982 7.3314 7.7978 7.8555 8.0260 8.0264 9.7550 9.7560 9.9859 9.9985 10.1309 10.1339 14.2692 14.2782 14.4072 14.4079 14.4981 14.4990 16.9879 17.0062 k = 0.3294 0.3304 0.5041 ( 2746 PWs) bands (ev): -46.0567 -46.0567 -22.7969 -22.7959 -22.1542 -22.1524 -22.1365 -22.1359 -14.2078 -14.2078 -5.9913 -5.9865 -5.7233 -5.7169 -5.6261 -5.6216 -1.2620 -1.2189 0.4218 0.4291 0.6226 0.6653 6.1907 6.1926 6.8097 6.8109 7.0123 7.0131 7.2641 7.2944 7.7957 7.8533 8.0248 8.0253 9.7148 9.7162 9.9597 9.9730 10.1074 10.1100 14.2258 14.2355 14.3860 14.3867 14.4781 14.4791 16.9584 16.9739 k = 0.3205 0.3214 0.5041 ( 2742 PWs) bands (ev): -46.0568 -46.0568 -22.7962 -22.7952 -22.1530 -22.1512 -22.1362 -22.1356 -14.2111 -14.2111 -6.0209 -6.0160 -5.7282 -5.7217 -5.6291 -5.6245 -1.2386 -1.1945 0.4478 0.4560 0.6625 0.7060 6.2034 6.2054 6.8406 6.8422 7.0510 7.0525 7.2313 7.2582 7.7958 7.8532 8.0244 8.0261 9.6748 9.6766 9.9334 9.9474 10.0824 10.0846 14.1806 14.1909 14.3647 14.3653 14.4579 14.4590 16.9196 16.9327 k = 0.3116 0.3125 0.5041 ( 2750 PWs) bands (ev): -46.0568 -46.0568 -22.7955 -22.7945 -22.1518 -22.1500 -22.1359 -22.1354 -14.2145 -14.2145 -6.0510 -6.0461 -5.7333 -5.7265 -5.6315 -5.6270 -1.2151 -1.1701 0.4746 0.4836 0.7024 0.7465 6.2150 6.2171 6.8734 6.8754 7.0875 7.0908 7.2017 7.2243 7.7977 7.8550 8.0257 8.0285 9.6353 9.6375 9.9071 9.9217 10.0559 10.0577 14.1336 14.1445 14.3432 14.3437 14.4376 14.4387 16.8722 16.8834 k = 0.3027 0.3036 0.5041 ( 2750 PWs) bands (ev): -46.0569 -46.0569 -22.7948 -22.7938 -22.1505 -22.1487 -22.1357 -22.1351 -14.2181 -14.2180 -6.0816 -6.0766 -5.7384 -5.7315 -5.6335 -5.6289 -1.1915 -1.1457 0.5021 0.5119 0.7419 0.7865 6.2255 6.2276 6.9078 6.9104 7.1152 7.1239 7.1827 7.1972 7.8012 7.8584 8.0290 8.0331 9.5967 9.5993 9.8808 9.8959 10.0279 10.0291 14.0848 14.0963 14.3218 14.3223 14.4172 14.4184 16.8173 16.8270 k = 0.2938 0.2946 0.5041 ( 2746 PWs) bands (ev): -46.0569 -46.0569 -22.7941 -22.7930 -22.1492 -22.1474 -22.1353 -22.1347 -14.2217 -14.2216 -6.1124 -6.1074 -5.7435 -5.7365 -5.6349 -5.6303 -1.1680 -1.1215 0.5302 0.5408 0.7808 0.8257 6.2350 6.2372 6.9436 6.9466 7.1152 7.1332 7.1933 7.1957 7.8059 7.8630 8.0350 8.0401 9.5592 9.5623 9.8544 9.8700 9.9983 9.9989 14.0344 14.0465 14.3005 14.3010 14.3969 14.3981 16.7558 16.7645 k = 0.2849 0.2857 0.5041 ( 2746 PWs) bands (ev): -46.0570 -46.0570 -22.7933 -22.7922 -22.1479 -22.1460 -22.1350 -22.1344 -14.2253 -14.2253 -6.1435 -6.1384 -5.7487 -5.7416 -5.6357 -5.6311 -1.1445 -1.0976 0.5587 0.5701 0.8188 0.8639 6.2437 6.2458 6.9803 6.9835 7.0972 7.1150 7.2242 7.2243 7.8115 7.8683 8.0441 8.0501 9.5231 9.5268 9.8278 9.8438 9.9672 9.9672 13.9825 13.9952 14.2795 14.2799 14.3767 14.3779 16.6889 16.6968 k = 0.2760 0.2768 0.5041 ( 2738 PWs) bands (ev): -46.0570 -46.0570 -22.7926 -22.7914 -22.1466 -22.1446 -22.1347 -22.1340 -14.2290 -14.2290 -6.1747 -6.1696 -5.7539 -5.7468 -5.6359 -5.6314 -1.1213 -1.0741 0.5877 0.5999 0.8556 0.9008 6.2515 6.2537 7.0168 7.0195 7.0790 7.0936 7.2590 7.2594 7.8177 7.8741 8.0568 8.0635 9.4890 9.4933 9.8011 9.8173 9.9338 9.9347 13.9292 13.9425 14.2588 14.2592 14.3567 14.3579 16.6174 16.6249 k = 0.2671 0.2679 0.5041 ( 2746 PWs) bands (ev): -46.0571 -46.0571 -22.7918 -22.7907 -22.1452 -22.1433 -22.1344 -22.1338 -14.2328 -14.2328 -6.2059 -6.2008 -5.7592 -5.7520 -5.6355 -5.6310 -1.0984 -1.0510 0.6170 0.6300 0.8911 0.9361 6.2588 6.2609 7.0432 7.0483 7.0756 7.0797 7.2942 7.2947 7.8242 7.8797 8.0737 8.0806 9.4570 9.4620 9.7742 9.7904 9.8988 9.9008 13.8746 13.8885 14.2386 14.2390 14.3371 14.3382 16.5422 16.5494 k = 0.2582 0.2589 0.5041 ( 2746 PWs) bands (ev): -46.0571 -46.0571 -22.7911 -22.7899 -22.1439 -22.1420 -22.1340 -22.1334 -14.2366 -14.2366 -6.2370 -6.2319 -5.7645 -5.7573 -5.6345 -5.6300 -1.0759 -1.0284 0.6466 0.6602 0.9249 0.9697 6.2655 6.2676 7.0377 7.0493 7.0998 7.1048 7.3286 7.3292 7.8306 7.8852 8.0947 8.1015 9.4275 9.4334 9.7471 9.7629 9.8623 9.8656 13.8189 13.8334 14.2190 14.2194 14.3178 14.3189 16.4640 16.4711 k = 0.2493 0.2500 0.5041 ( 2746 PWs) bands (ev): -46.0572 -46.0572 -22.7903 -22.7892 -22.1425 -22.1406 -22.1337 -22.1331 -14.2404 -14.2404 -6.2679 -6.2628 -5.7697 -5.7625 -5.6328 -5.6284 -1.0539 -1.0064 0.6762 0.6907 0.9570 1.0013 6.2718 6.2739 7.0291 7.0394 7.1347 7.1406 7.3620 7.3627 7.8369 7.8903 8.1200 8.1262 9.4010 9.4077 9.7195 9.7346 9.8244 9.8294 13.7622 13.7774 14.2000 14.2004 14.2989 14.3000 16.3834 16.3904 k = 0.2404 0.2411 0.5041 ( 2746 PWs) bands (ev): -46.0572 -46.0572 -22.7895 -22.7884 -22.1412 -22.1393 -22.1333 -22.1327 -14.2443 -14.2443 -6.2985 -6.2935 -5.7749 -5.7678 -5.6306 -5.6262 -1.0325 -0.9852 0.7058 0.7211 0.9871 1.0307 6.2779 6.2799 7.0242 7.0328 7.1700 7.1763 7.3941 7.3950 7.8430 7.8952 8.1491 8.1545 9.3777 9.3854 9.6915 9.7053 9.7850 9.7923 13.7048 13.7205 14.1818 14.1821 14.2806 14.2816 16.3009 16.3080 k = 0.2315 0.2321 0.5041 ( 2746 PWs) bands (ev): -46.0573 -46.0573 -22.7888 -22.7877 -22.1398 -22.1379 -22.1330 -22.1324 -14.2481 -14.2481 -6.3287 -6.3238 -5.7801 -5.7730 -5.6277 -5.6234 -1.0116 -0.9646 0.7354 0.7515 1.0151 1.0578 6.2837 6.2857 7.0239 7.0310 7.2042 7.2106 7.4251 7.4262 7.8489 7.8999 8.1817 8.1861 9.3581 9.3669 9.6630 9.6746 9.7442 9.7547 13.6468 13.6631 14.1643 14.1646 14.2629 14.2639 16.2170 16.2242 k = 0.2226 0.2232 0.5041 ( 2746 PWs) bands (ev): -46.0573 -46.0573 -22.7880 -22.7869 -22.1384 -22.1366 -22.1327 -22.1321 -14.2519 -14.2519 -6.3586 -6.3537 -5.7852 -5.7782 -5.6242 -5.6200 -0.9915 -0.9450 0.7648 0.7817 1.0410 1.0826 6.2893 6.2913 7.0287 7.0344 7.2366 7.2431 7.4549 7.4562 7.8549 7.9048 8.2174 8.2205 9.3423 9.3523 9.6337 9.6421 9.7023 9.7170 13.5885 13.6053 14.1477 14.1480 14.2458 14.2468 16.1321 16.1394 k = 0.2137 0.2143 0.5041 ( 2750 PWs) bands (ev): -46.0574 -46.0574 -22.7873 -22.7862 -22.1371 -22.1353 -22.1323 -22.1318 -14.2557 -14.2557 -6.3878 -6.3831 -5.7902 -5.7833 -5.6202 -5.6160 -0.9721 -0.9262 0.7938 0.8116 1.0646 1.1049 6.2949 6.2969 7.0387 7.0432 7.2669 7.2735 7.4836 7.4849 7.8610 7.9099 8.2555 8.2572 9.3307 9.3419 9.6036 9.6074 9.6594 9.6797 13.5300 13.5474 14.1320 14.1323 14.2295 14.2304 16.0466 16.0540 k = 0.2048 0.2054 0.5041 ( 2750 PWs) bands (ev): -46.0574 -46.0574 -22.7865 -22.7855 -22.1358 -22.1340 -22.1320 -22.1314 -14.2595 -14.2595 -6.4165 -6.4118 -5.7951 -5.7884 -5.6156 -5.6116 -0.9536 -0.9083 0.8224 0.8411 1.0861 1.1248 6.3005 6.3024 7.0540 7.0575 7.2949 7.3016 7.5111 7.5124 7.8674 7.9155 8.2958 8.2960 9.3233 9.3359 9.5700 9.5722 9.6159 9.6431 13.4717 13.4895 14.1173 14.1176 14.2139 14.2148 15.9607 15.9682 k = 0.1959 0.1964 0.5041 ( 2754 PWs) bands (ev): -46.0575 -46.0575 -22.7858 -22.7848 -22.1345 -22.1328 -22.1316 -22.1311 -14.2632 -14.2631 -6.4445 -6.4399 -5.8000 -5.7933 -5.6106 -5.6067 -0.9359 -0.8915 0.8504 0.8702 1.1054 1.1422 6.3062 6.3080 7.0746 7.0773 7.3207 7.3273 7.5370 7.5382 7.8742 7.9217 8.3363 8.3378 9.3202 9.3342 9.5299 9.5389 9.5726 9.6073 13.4137 13.4320 14.1035 14.1037 14.1992 14.2000 15.8748 15.8825 k = 0.1870 0.1875 0.5041 ( 2746 PWs) bands (ev): -46.0575 -46.0575 -22.7850 -22.7840 -22.1331 -22.1318 -22.1310 -22.1308 -14.2668 -14.2668 -6.4717 -6.4673 -5.8047 -5.7982 -5.6051 -5.6013 -0.9191 -0.8756 0.8778 0.8987 1.1227 1.1573 6.3119 6.3137 7.1004 7.1025 7.3442 7.3508 7.5612 7.5622 7.8817 7.9287 8.3781 8.3813 9.3214 9.3369 9.4874 9.5022 9.5308 9.5722 13.3564 13.3751 14.0907 14.0909 14.1853 14.1861 15.7892 15.7970 k = 0.1781 0.1786 0.5041 ( 2746 PWs) bands (ev): -46.0576 -46.0576 -22.7843 -22.7834 -22.1319 -22.1313 -22.1304 -22.1299 -14.2704 -14.2703 -6.4981 -6.4939 -5.8092 -5.8030 -5.5993 -5.5955 -0.9032 -0.8609 0.9044 0.9265 1.1379 1.1701 6.3177 6.3194 7.1313 7.1330 7.3657 7.3722 7.5832 7.5839 7.8898 7.9365 8.4211 8.4261 9.3265 9.3434 9.4430 9.4609 9.4919 9.5375 13.3001 13.3191 14.0789 14.0790 14.1723 14.1732 15.7042 15.7121 k = 0.1692 0.1696 0.5041 ( 2746 PWs) bands (ev): -46.0576 -46.0576 -22.7836 -22.7827 -22.1309 -22.1308 -22.1300 -22.1288 -14.2738 -14.2738 -6.5237 -6.5195 -5.8136 -5.8076 -5.5930 -5.5895 -0.8884 -0.8472 0.9300 0.9534 1.1514 1.1808 6.3235 6.3253 7.1671 7.1686 7.3853 7.3918 7.6029 7.6031 7.8988 7.9454 8.4652 8.4722 9.3352 9.3529 9.3976 9.4159 9.4551 9.5026 13.2451 13.2644 14.0681 14.0681 14.1602 14.1611 15.6201 15.6281 k = 0.1602 0.1607 0.5041 ( 2746 PWs) bands (ev): -46.0577 -46.0577 -22.7830 -22.7821 -22.1306 -22.1302 -22.1291 -22.1276 -14.2772 -14.2772 -6.5482 -6.5443 -5.8179 -5.8120 -5.5866 -5.5831 -0.8745 -0.8346 0.9545 0.9794 1.1633 1.1895 6.3295 6.3312 7.2076 7.2091 7.4032 7.4097 7.6196 7.6199 7.9087 7.9553 8.5104 8.5193 9.3455 9.3465 9.3691 9.3709 9.4190 9.4674 13.1916 13.2111 14.0582 14.0583 14.1491 14.1500 15.5371 15.5452 k = 0.1513 0.1518 0.5041 ( 2750 PWs) bands (ev): -46.0577 -46.0577 -22.7823 -22.7815 -22.1303 -22.1298 -22.1280 -22.1266 -14.2805 -14.2804 -6.5718 -6.5680 -5.8220 -5.8164 -5.5799 -5.5766 -0.8615 -0.8232 0.9778 1.0044 1.1737 1.1965 6.3355 6.3371 7.2523 7.2540 7.4197 7.4263 7.6332 7.6341 7.9196 7.9663 8.5567 8.5675 9.2992 9.3201 9.3605 9.3834 9.3842 9.4320 13.1400 13.1597 14.0491 14.0494 14.1389 14.1399 15.4556 15.4636 k = 0.1424 0.1429 0.5041 ( 2750 PWs) bands (ev): -46.0578 -46.0578 -22.7817 -22.7809 -22.1300 -22.1296 -22.1269 -22.1255 -14.2836 -14.2836 -6.5943 -6.5907 -5.8259 -5.8205 -5.5730 -5.5699 -0.8496 -0.8128 0.9998 1.0281 1.1830 1.2020 6.3416 6.3431 7.3010 7.3032 7.4350 7.4416 7.6440 7.6455 7.9316 7.9785 8.6041 8.6168 9.2505 9.2716 9.3428 9.3794 9.3902 9.4066 13.0907 13.1104 14.0410 14.0414 14.1296 14.1308 15.3758 15.3838 k = 0.1335 0.1339 0.5041 ( 2752 PWs) bands (ev): -46.0578 -46.0578 -22.7811 -22.7803 -22.1297 -22.1293 -22.1259 -22.1245 -14.2866 -14.2866 -6.6157 -6.6123 -5.8296 -5.8245 -5.5661 -5.5631 -0.8387 -0.8036 1.0201 1.0504 1.1915 1.2063 6.3476 6.3492 7.3533 7.3561 7.4493 7.4559 7.6520 7.6541 7.9447 7.9919 8.6525 8.6670 9.2011 9.2227 9.3046 9.3556 9.3960 9.4219 13.0438 13.0635 14.0337 14.0342 14.1214 14.1226 15.2980 15.3060 k = 0.1246 0.1250 0.5041 ( 2752 PWs) bands (ev): -46.0579 -46.0579 -22.7806 -22.7798 -22.1295 -22.1290 -22.1248 -22.1235 -14.2895 -14.2894 -6.6359 -6.6327 -5.8331 -5.8283 -5.5592 -5.5564 -0.8287 -0.7954 1.0388 1.0712 1.1993 1.2097 6.3537 6.3552 7.4085 7.4122 7.4629 7.4696 7.6573 7.6600 7.9589 8.0065 8.7019 8.7180 9.1516 9.1740 9.2647 9.3172 9.4132 9.4403 12.9998 13.0193 14.0272 14.0279 14.1140 14.1154 15.2226 15.2304 k = 0.1157 0.1161 0.5041 ( 2758 PWs) bands (ev): -46.0579 -46.0579 -22.7800 -22.7793 -22.1292 -22.1288 -22.1239 -22.1226 -14.2922 -14.2922 -6.6550 -6.6519 -5.8364 -5.8319 -5.5523 -5.5497 -0.8196 -0.7883 1.0556 1.0900 1.2067 1.2126 6.3597 6.3611 7.4641 7.4664 7.4804 7.4847 7.6603 7.6636 7.9743 8.0224 8.7519 8.7696 9.1021 9.1258 9.2234 9.2773 9.4300 9.4582 12.9588 12.9780 14.0214 14.0223 14.1076 14.1091 15.1498 15.1575 k = 0.1068 0.1071 0.5041 ( 2756 PWs) bands (ev): -46.0579 -46.0579 -22.7795 -22.7789 -22.1290 -22.1286 -22.1229 -22.1218 -14.2947 -14.2947 -6.6727 -6.6699 -5.8395 -5.8352 -5.5456 -5.5431 -0.8114 -0.7821 1.0705 1.1067 1.2139 1.2154 6.3655 6.3668 7.4849 7.4911 7.5298 7.5356 7.6614 7.6650 7.9908 8.0395 8.8025 8.8217 9.0529 9.0782 9.1807 9.2363 9.4455 9.4747 12.9212 12.9399 14.0164 14.0174 14.1021 14.1037 15.0801 15.0876 k = 0.0979 0.0982 0.5041 ( 2756 PWs) bands (ev): -46.0580 -46.0580 -22.7791 -22.7784 -22.1288 -22.1284 -22.1221 -22.1210 -14.2971 -14.2971 -6.6892 -6.6865 -5.8423 -5.8384 -5.5391 -5.5368 -0.8041 -0.7769 1.0833 1.1209 1.2187 1.2212 6.3712 6.3724 7.4963 7.5032 7.5904 7.5990 7.6611 7.6646 8.0083 8.0577 8.8533 8.8738 9.0044 9.0316 9.1368 9.1942 9.4589 9.4890 12.8869 12.9051 14.0120 14.0131 14.0974 14.0990 15.0138 15.0210 k = 0.0890 0.0893 0.5041 ( 2756 PWs) bands (ev): -46.0580 -46.0580 -22.7786 -22.7780 -22.1286 -22.1282 -22.1212 -22.1203 -14.2993 -14.2993 -6.7043 -6.7019 -5.8449 -5.8413 -5.5329 -5.5307 -0.7976 -0.7725 1.0942 1.1322 1.2227 1.2285 6.3767 6.3778 7.5069 7.5141 7.6454 7.6609 7.6660 7.6666 8.0268 8.0769 8.9037 8.9257 8.9571 8.9864 9.0916 9.1511 9.4698 9.5006 12.8563 12.8736 14.0082 14.0095 14.0935 14.0952 14.9513 14.9581 k = 0.0801 0.0804 0.5041 ( 2752 PWs) bands (ev): -46.0580 -46.0580 -22.7782 -22.7777 -22.1284 -22.1281 -22.1205 -22.1196 -14.3013 -14.3013 -6.7181 -6.7159 -5.8473 -5.8440 -5.5270 -5.5251 -0.7918 -0.7690 1.1033 1.1405 1.2279 1.2358 6.3818 6.3829 7.5168 7.5243 7.6514 7.6591 7.7205 7.7306 8.0460 8.0969 8.9087 8.9429 8.9560 8.9763 9.0463 9.1071 9.4775 9.5089 12.8293 12.8457 14.0050 14.0063 14.0903 14.0920 14.8930 14.8994 k = 0.0712 0.0714 0.5041 ( 2756 PWs) bands (ev): -46.0580 -46.0580 -22.7778 -22.7774 -22.1282 -22.1279 -22.1198 -22.1190 -14.3031 -14.3031 -6.7305 -6.7286 -5.8494 -5.8464 -5.5215 -5.5198 -0.7866 -0.7662 1.1108 1.1458 1.2341 1.2429 6.3866 6.3876 7.5263 7.5340 7.6474 7.6548 7.7832 7.7970 8.0658 8.1175 8.8641 8.9018 8.9921 9.0052 9.0337 9.0625 9.4816 9.5134 12.8060 12.8211 14.0023 14.0037 14.0877 14.0894 14.8393 14.8452 k = 0.0623 0.0625 0.5041 ( 2752 PWs) bands (ev): -46.0581 -46.0581 -22.7775 -22.7771 -22.1280 -22.1278 -22.1192 -22.1185 -14.3048 -14.3047 -6.7415 -6.7398 -5.8512 -5.8486 -5.5165 -5.5150 -0.7821 -0.7642 1.1169 1.1488 1.2410 1.2498 6.3910 6.3919 7.5354 7.5434 7.6420 7.6497 7.8455 7.8629 8.0857 8.1383 8.8209 8.8635 8.9465 9.0168 9.0549 9.0807 9.4819 9.5139 12.7862 12.8000 14.0001 14.0014 14.0857 14.0873 14.7906 14.7960 k = 0.0534 0.0536 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7772 -22.7769 -22.1279 -22.1277 -22.1187 -22.1181 -14.3062 -14.3062 -6.7511 -6.7496 -5.8528 -5.8506 -5.5120 -5.5107 -0.7782 -0.7627 1.1220 1.1499 1.2481 1.2561 6.3949 6.3957 7.5442 7.5523 7.6359 7.6438 7.9060 7.9274 8.1054 8.1587 8.7803 8.8288 8.8982 8.9722 9.1022 9.1286 9.4781 9.5101 12.7698 12.7820 13.9983 13.9995 14.0843 14.0857 14.7474 14.7522 k = 0.0445 0.0446 0.5041 ( 2766 PWs) bands (ev): -46.0581 -46.0581 -22.7770 -22.7767 -22.1278 -22.1276 -22.1182 -22.1177 -14.3074 -14.3074 -6.7592 -6.7579 -5.8541 -5.8522 -5.5081 -5.5070 -0.7748 -0.7618 1.1261 1.1498 1.2548 1.2618 6.3984 6.3990 7.5526 7.5610 7.6293 7.6375 7.9635 7.9893 8.1241 8.1779 8.7430 8.7987 8.8500 8.9282 9.1479 9.1747 9.4704 9.5021 12.7567 12.7672 13.9969 13.9980 14.0832 14.0845 14.7100 14.7141 k = 0.0356 0.0357 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7768 -22.7765 -22.1277 -22.1276 -22.1178 -22.1174 -14.3084 -14.3084 -6.7658 -6.7648 -5.8552 -5.8537 -5.5049 -5.5040 -0.7718 -0.7614 1.1297 1.1487 1.2608 1.2665 6.4013 6.4018 7.5608 7.5694 7.6224 7.6309 8.0166 8.0472 8.1410 8.1948 8.7103 8.7740 8.8034 8.8860 9.1914 9.2183 9.4589 9.4898 12.7466 12.7552 13.9958 13.9967 14.0825 14.0836 14.6789 14.6823 k = 0.0267 0.0268 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7766 -22.7764 -22.1276 -22.1275 -22.1175 -22.1172 -14.3092 -14.3091 -6.7710 -6.7702 -5.8559 -5.8548 -5.5022 -5.5016 -0.7693 -0.7614 1.1328 1.1471 1.2659 1.2702 6.4036 6.4039 7.5688 7.5775 7.6154 7.6240 8.0638 8.0990 8.1551 8.2080 8.6840 8.7523 8.7639 8.8467 9.2319 9.2582 9.4444 9.4738 12.7393 12.7459 13.9950 13.9958 14.0820 14.0829 14.6545 14.6571 k = 0.0178 0.0179 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7764 -22.7763 -22.1275 -22.1275 -22.1172 -22.1170 -14.3097 -14.3097 -6.7746 -6.7741 -5.8564 -5.8557 -5.5003 -5.4999 -0.7671 -0.7618 1.1356 1.1452 1.2698 1.2727 6.4052 6.4055 7.5766 7.5851 7.6083 7.6169 8.1032 8.1405 8.1664 8.2155 8.6664 8.7177 8.7510 8.8119 9.2684 9.2924 9.4288 9.4548 12.7346 12.7391 13.9945 13.9950 14.0818 14.0824 14.6369 14.6387 k = 0.0089 0.0089 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7763 -22.1275 -22.1274 -22.1170 -22.1170 -14.3100 -14.3100 -6.7767 -6.7765 -5.8567 -5.8563 -5.4991 -5.4989 -0.7653 -0.7626 1.1382 1.1430 1.2725 1.2739 6.4063 6.4064 7.5841 7.5917 7.6022 7.6097 8.1329 8.1574 8.1848 8.2151 8.6602 8.6870 8.7517 8.7833 9.2988 9.3154 9.4172 9.4348 12.7323 12.7346 13.9943 13.9945 14.0817 14.0820 14.6265 14.6273 k = 0.0000 0.0000 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7763 -22.1275 -22.1275 -22.1170 -22.1170 -14.3102 -14.3102 -6.7774 -6.7774 -5.8566 -5.8566 -5.4986 -5.4986 -0.7638 -0.7638 1.1407 1.1407 1.2739 1.2739 6.4067 6.4067 7.5908 7.5908 7.6032 7.6032 8.1515 8.1515 8.2049 8.2049 8.6670 8.6670 8.7628 8.7628 9.3176 9.3176 9.4191 9.4191 12.7323 12.7323 13.9943 13.9943 14.0818 14.0818 14.6233 14.6233 k = 0.0000 0.0000 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7763 -22.1275 -22.1275 -22.1170 -22.1170 -14.3102 -14.3102 -6.7774 -6.7774 -5.8566 -5.8566 -5.4986 -5.4986 -0.7638 -0.7638 1.1407 1.1407 1.2739 1.2739 6.4067 6.4067 7.5908 7.5908 7.6032 7.6032 8.1515 8.1515 8.2049 8.2049 8.6670 8.6670 8.7628 8.7628 9.3176 9.3176 9.4191 9.4191 12.7323 12.7323 13.9943 13.9943 14.0818 14.0818 14.6233 14.6233 k = 0.0000 0.0000 0.4915 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7762 -22.1274 -22.1274 -22.1170 -22.1170 -14.3104 -14.3103 -6.7769 -6.7767 -5.8567 -5.8567 -5.4996 -5.4993 -0.7645 -0.7637 1.1403 1.1404 1.2726 1.2741 6.4089 6.4094 7.5916 7.5918 7.6042 7.6043 8.1501 8.1555 8.2055 8.2064 8.6665 8.6688 8.7626 8.7636 9.3181 9.3192 9.4197 9.4200 12.7320 12.7322 13.9915 13.9923 14.0788 14.0799 14.6231 14.6239 k = 0.0000 0.0000 0.4789 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7762 -22.7761 -22.1273 -22.1272 -22.1170 -22.1170 -14.3109 -14.3109 -6.7753 -6.7750 -5.8568 -5.8568 -5.5020 -5.5014 -0.7658 -0.7642 1.1393 1.1394 1.2703 1.2734 6.4160 6.4170 7.5943 7.5945 7.6074 7.6075 8.1513 8.1620 8.2082 8.2099 8.6673 8.6718 8.7632 8.7652 9.3206 9.3229 9.4219 9.4226 12.7312 12.7317 13.9838 13.9854 14.0708 14.0730 14.6234 14.6251 k = 0.0000 0.0000 0.4663 ( 2750 PWs) bands (ev): -46.0581 -46.0581 -22.7761 -22.7759 -22.1270 -22.1268 -22.1170 -22.1170 -14.3119 -14.3119 -6.7726 -6.7722 -5.8571 -5.8571 -5.5060 -5.5051 -0.7677 -0.7653 1.1376 1.1378 1.2670 1.2716 6.4281 6.4295 7.5988 7.5991 7.6127 7.6129 8.1550 8.1710 8.2130 8.2155 8.6694 8.6760 8.7646 8.7675 9.3252 9.3287 9.4258 9.4268 12.7300 12.7307 13.9714 13.9738 14.0580 14.0613 14.6243 14.6267 k = 0.0000 0.0000 0.4536 ( 2748 PWs) bands (ev): -46.0582 -46.0582 -22.7760 -22.7757 -22.1266 -22.1263 -22.1170 -22.1170 -14.3133 -14.3132 -6.7689 -6.7683 -5.8575 -5.8575 -5.5114 -5.5102 -0.7702 -0.7671 1.1353 1.1355 1.2627 1.2688 6.4449 6.4469 7.6050 7.6054 7.6201 7.6204 8.1612 8.1823 8.2200 8.2231 8.6728 8.6814 8.7668 8.7707 9.3318 9.3365 9.4312 9.4325 12.7284 12.7293 13.9544 13.9575 14.0405 14.0447 14.6256 14.6286 k = 0.0000 0.0000 0.4410 ( 2750 PWs) bands (ev): -46.0582 -46.0582 -22.7758 -22.7755 -22.1261 -22.1258 -22.1171 -22.1170 -14.3150 -14.3149 -6.7641 -6.7634 -5.8580 -5.8580 -5.5182 -5.5168 -0.7733 -0.7694 1.1323 1.1326 1.2575 1.2650 6.4665 6.4689 7.6129 7.6134 7.6295 7.6300 8.1698 8.1955 8.2295 8.2327 8.6776 8.6881 8.7699 8.7748 9.3403 9.3464 9.4381 9.4399 12.7263 12.7275 13.9327 13.9365 14.0185 14.0235 14.6272 14.6308 k = 0.0000 0.0000 0.4284 ( 2756 PWs) bands (ev): -46.0582 -46.0582 -22.7756 -22.7752 -22.1256 -22.1252 -22.1171 -22.1171 -14.3171 -14.3170 -6.7583 -6.7575 -5.8586 -5.8586 -5.5264 -5.5247 -0.7770 -0.7723 1.1288 1.1291 1.2513 1.2602 6.4926 6.4956 7.6225 7.6229 7.6409 7.6416 8.1806 8.2102 8.2416 8.2444 8.6838 8.6960 8.7740 8.7799 9.3506 9.3583 9.4466 9.4488 12.7239 12.7253 13.9066 13.9112 13.9922 13.9979 14.6291 14.6332 k = 0.0000 0.0000 0.4158 ( 2766 PWs) bands (ev): -46.0582 -46.0582 -22.7754 -22.7749 -22.1250 -22.1245 -22.1172 -22.1172 -14.3195 -14.3194 -6.7516 -6.7506 -5.8593 -5.8592 -5.5358 -5.5338 -0.7812 -0.7758 1.1246 1.1250 1.2443 1.2545 6.5232 6.5267 7.6335 7.6339 7.6542 7.6552 8.1935 8.2258 8.2567 8.2580 8.6916 8.7050 8.7794 8.7862 9.3627 9.3722 9.4566 9.4592 12.7211 12.7227 13.8763 13.8815 13.9617 13.9681 14.6311 14.6356 k = 0.0000 0.0000 0.4032 ( 2766 PWs) bands (ev): -46.0582 -46.0582 -22.7750 -22.7746 -22.1242 -22.1237 -22.1172 -22.1172 -14.3223 -14.3222 -6.7440 -6.7429 -5.8600 -5.8600 -5.5465 -5.5442 -0.7859 -0.7799 1.1199 1.1203 1.2365 1.2479 6.5582 6.5622 7.6461 7.6462 7.6693 7.6705 8.2084 8.2421 8.2735 8.2749 8.7008 8.7152 8.7862 8.7939 9.3766 9.3880 9.4681 9.4712 12.7179 12.7197 13.8420 13.8477 13.9273 13.9342 14.6333 14.6381 k = 0.0000 0.0000 0.3906 ( 2766 PWs) bands (ev): -46.0583 -46.0583 -22.7747 -22.7742 -22.1233 -22.1228 -22.1173 -22.1172 -14.3253 -14.3252 -6.7356 -6.7343 -5.8609 -5.8609 -5.5581 -5.5556 -0.7911 -0.7845 1.1147 1.1152 1.2279 1.2404 6.5972 6.6018 7.6597 7.6599 7.6861 7.6876 8.2251 8.2590 8.2910 8.2960 8.7117 8.7265 8.7945 8.8032 9.3920 9.4056 9.4811 9.4848 12.7143 12.7164 13.8038 13.8101 13.8891 13.8965 14.6356 14.6406 k = 0.0000 0.0000 0.3780 ( 2758 PWs) bands (ev): -46.0583 -46.0583 -22.7743 -22.7737 -22.1223 -22.1217 -22.1173 -22.1173 -14.3287 -14.3286 -6.7264 -6.7250 -5.8619 -5.8619 -5.5708 -5.5680 -0.7967 -0.7896 1.1091 1.1095 1.2186 1.2321 6.6400 6.6452 7.6743 7.6750 7.7046 7.7063 8.2435 8.2766 8.3102 8.3194 8.7242 8.7389 8.8048 8.8144 9.4090 9.4250 9.4955 9.4998 12.7104 12.7128 13.7620 13.7689 13.8476 13.8553 14.6378 14.6430 k = 0.0000 0.0000 0.3654 ( 2758 PWs) bands (ev): -46.0583 -46.0583 -22.7738 -22.7732 -22.1212 -22.1207 -22.1174 -22.1173 -14.3323 -14.3322 -6.7166 -6.7150 -5.8629 -5.8629 -5.5842 -5.5813 -0.8028 -0.7951 1.1029 1.1034 1.2086 1.2231 6.6865 6.6924 7.6899 7.6911 7.7244 7.7264 8.2634 8.2952 8.3311 8.3446 8.7383 8.7522 8.8173 8.8277 9.4274 9.4461 9.5112 9.5162 12.7063 12.7089 13.7169 13.7243 13.8027 13.8107 14.6400 14.6452 k = 0.0000 0.0000 0.3528 ( 2765 PWs) bands (ev): -46.0584 -46.0584 -22.7734 -22.7728 -22.1202 -22.1196 -22.1175 -22.1173 -14.3362 -14.3360 -6.7062 -6.7045 -5.8640 -5.8640 -5.5984 -5.5952 -0.8092 -0.8011 1.0964 1.0970 1.1980 1.2133 6.7364 6.7429 7.7062 7.7081 7.7455 7.7477 8.2848 8.3148 8.3535 8.3710 8.7538 8.7664 8.8323 8.8434 9.4471 9.4687 9.5284 9.5341 12.7018 12.7048 13.6688 13.6765 13.7549 13.7631 14.6421 14.6474 k = 0.0000 0.0000 0.3402 ( 2761 PWs) bands (ev): -46.0584 -46.0584 -22.7729 -22.7722 -22.1190 -22.1186 -22.1175 -22.1172 -14.3402 -14.3401 -6.6953 -6.6935 -5.8652 -5.8652 -5.6131 -5.6097 -0.8161 -0.8076 1.0896 1.0901 1.1869 1.2030 6.7894 6.7966 7.7232 7.7259 7.7677 7.7700 8.3076 8.3356 8.3772 8.3983 8.7707 8.7816 8.8504 8.8616 9.4679 9.4927 9.5470 9.5534 12.6971 12.7004 13.6180 13.6261 13.7043 13.7126 14.6441 14.6493 k = 0.0000 0.0000 0.3276 ( 2761 PWs) bands (ev): -46.0584 -46.0584 -22.7724 -22.7717 -22.1180 -22.1177 -22.1176 -22.1165 -14.3445 -14.3444 -6.6841 -6.6822 -5.8664 -5.8664 -5.6282 -5.6246 -0.8232 -0.8144 1.0824 1.0830 1.1754 1.1920 6.8451 6.8531 7.7406 7.7442 7.7907 7.7932 8.3318 8.3577 8.4022 8.4260 8.7888 8.7976 8.8719 8.8825 9.4899 9.5179 9.5671 9.5741 12.6922 12.6959 13.5647 13.5731 13.6512 13.6596 14.6460 14.6512 k = 0.0000 0.0000 0.3150 ( 2757 PWs) bands (ev): -46.0585 -46.0585 -22.7718 -22.7711 -22.1179 -22.1177 -22.1163 -22.1153 -14.3489 -14.3488 -6.6726 -6.6706 -5.8677 -5.8677 -5.6435 -5.6398 -0.8306 -0.8215 1.0750 1.0756 1.1635 1.1806 6.9032 6.9121 7.7583 7.7630 7.8144 7.8171 8.3573 8.3809 8.4281 8.4539 8.8079 8.8145 8.8971 8.9061 9.5128 9.5441 9.5887 9.5961 12.6871 12.6911 13.5094 13.5180 13.5958 13.6043 14.6478 14.6528 k = 0.0000 0.0000 0.3024 ( 2765 PWs) bands (ev): -46.0585 -46.0585 -22.7713 -22.7706 -22.1179 -22.1178 -22.1150 -22.1140 -14.3535 -14.3534 -6.6610 -6.6588 -5.8690 -5.8690 -5.6590 -5.6551 -0.8383 -0.8289 1.0674 1.0680 1.1512 1.1687 6.9634 6.9733 7.7762 7.7819 7.8384 7.8412 8.3840 8.4053 8.4549 8.4818 8.8278 8.8324 8.9261 8.9324 9.5365 9.5709 9.6121 9.6193 12.6818 12.6862 13.4524 13.4612 13.5384 13.5469 14.6494 14.6544 k = 0.0000 0.0000 0.2898 ( 2765 PWs) bands (ev): -46.0586 -46.0586 -22.7707 -22.7700 -22.1180 -22.1179 -22.1135 -22.1126 -14.3582 -14.3581 -6.6493 -6.6471 -5.8704 -5.8704 -5.6744 -5.6704 -0.8461 -0.8366 1.0596 1.0602 1.1388 1.1565 7.0254 7.0362 7.7940 7.8010 7.8626 7.8656 8.4120 8.4310 8.4825 8.5095 8.8485 8.8512 8.9591 8.9613 9.5609 9.5978 9.6374 9.6439 12.6763 12.6812 13.3940 13.4029 13.4792 13.4878 14.6509 14.6557 k = 0.0000 0.0000 0.2772 ( 2769 PWs) bands (ev): -46.0586 -46.0586 -22.7702 -22.7694 -22.1181 -22.1180 -22.1121 -22.1111 -14.3630 -14.3628 -6.6377 -6.6354 -5.8718 -5.8717 -5.6896 -5.6855 -0.8541 -0.8445 1.0518 1.0523 1.1261 1.1440 7.0886 7.1006 7.8116 7.8199 7.8868 7.8898 8.4412 8.4579 8.5107 8.5371 8.8699 8.8711 8.9927 8.9957 9.5859 9.6245 9.6649 9.6696 12.6707 12.6761 13.3347 13.3436 13.4186 13.4273 14.6523 14.6570 k = 0.0000 0.0000 0.2646 ( 2777 PWs) bands (ev): -46.0587 -46.0587 -22.7696 -22.7688 -22.1182 -22.1181 -22.1106 -22.1097 -14.3678 -14.3676 -6.6264 -6.6240 -5.8732 -5.8731 -5.7044 -5.7002 -0.8622 -0.8526 1.0438 1.0444 1.1134 1.1314 7.1526 7.1660 7.8289 7.8386 7.9106 7.9136 8.4715 8.4859 8.5396 8.5645 8.8918 8.8919 9.0264 9.0355 9.6113 9.6508 9.6945 9.6964 12.6649 12.6709 13.2748 13.2838 13.3569 13.3656 14.6536 14.6581 k = 0.0000 0.0000 0.2520 ( 2773 PWs) bands (ev): -46.0587 -46.0587 -22.7690 -22.7682 -22.1183 -22.1182 -22.1091 -22.1082 -14.3726 -14.3725 -6.6154 -6.6129 -5.8746 -5.8745 -5.7187 -5.7145 -0.8704 -0.8607 1.0359 1.0364 1.1007 1.1186 7.2172 7.2320 7.8458 7.8571 7.9338 7.9369 8.5029 8.5150 8.5691 8.5920 8.9134 8.9147 9.0622 9.0783 9.6369 9.6766 9.7243 9.7261 12.6589 12.6656 13.2149 13.2237 13.2943 13.3030 14.6548 14.6591 k = 0.0000 0.0000 0.2394 ( 2769 PWs) bands (ev): -46.0587 -46.0587 -22.7684 -22.7676 -22.1183 -22.1183 -22.1076 -22.1066 -14.3774 -14.3773 -6.6048 -6.6023 -5.8760 -5.8759 -5.7325 -5.7282 -0.8785 -0.8689 1.0280 1.0285 1.0881 1.1058 7.2817 7.2981 7.8622 7.8751 7.9562 7.9594 8.5353 8.5452 8.5991 8.6196 8.9356 8.9379 9.1000 9.1235 9.6626 9.7021 9.7529 9.7590 12.6528 12.6603 13.1553 13.1639 13.2312 13.2400 14.6559 14.6600 k = 0.0000 0.0000 0.2268 ( 2769 PWs) bands (ev): -46.0588 -46.0588 -22.7678 -22.7670 -22.1184 -22.1184 -22.1061 -22.1051 -14.3822 -14.3821 -6.5947 -6.5922 -5.8774 -5.8773 -5.7454 -5.7412 -0.8866 -0.8772 1.0202 1.0207 1.0757 1.0930 7.3457 7.3639 7.8780 7.8927 7.9776 7.9808 8.5686 8.5764 8.6297 8.6474 8.9584 8.9615 9.1395 9.1708 9.6884 9.7273 9.7823 9.7929 12.6465 12.6549 13.0967 13.1049 13.1679 13.1768 14.6568 14.6607 k = 0.0000 0.0000 0.2142 ( 2769 PWs) bands (ev): -46.0588 -46.0588 -22.7672 -22.7665 -22.1185 -22.1184 -22.1046 -22.1037 -14.3869 -14.3868 -6.5852 -6.5827 -5.8787 -5.8787 -5.7576 -5.7534 -0.8946 -0.8854 1.0126 1.0131 1.0634 1.0804 7.4087 7.4289 7.8933 7.9099 7.9979 8.0011 8.6027 8.6085 8.6609 8.6755 8.9814 8.9853 9.1804 9.2195 9.7139 9.7523 9.8121 9.8274 12.6400 12.6495 13.0394 13.0471 13.1047 13.1137 14.6577 14.6614 k = 0.0000 0.0000 0.2016 ( 2761 PWs) bands (ev): -46.0589 -46.0589 -22.7666 -22.7659 -22.1185 -22.1185 -22.1030 -22.1022 -14.3915 -14.3914 -6.5765 -6.5739 -5.8801 -5.8800 -5.7688 -5.7646 -0.9025 -0.8935 1.0051 1.0056 1.0515 1.0680 7.4702 7.4927 7.9080 7.9267 8.0169 8.0201 8.6374 8.6413 8.6924 8.7039 9.0045 9.0091 9.2226 9.2694 9.7392 9.7771 9.8420 9.8619 12.6331 12.6440 12.9840 12.9910 13.0420 13.0513 14.6585 14.6620 k = 0.0000 0.0000 0.1890 ( 2757 PWs) bands (ev): -46.0589 -46.0589 -22.7660 -22.7653 -22.1186 -22.1186 -22.1016 -22.1007 -14.3960 -14.3959 -6.5685 -6.5660 -5.8814 -5.8813 -5.7790 -5.7749 -0.9101 -0.9014 0.9979 0.9983 1.0399 1.0558 7.5296 7.5546 7.9222 7.9432 8.0346 8.0377 8.6724 8.6748 8.7242 8.7325 9.0274 9.0326 9.2658 9.3199 9.7640 9.8016 9.8718 9.8959 12.6258 12.6383 12.9311 12.9373 12.9801 12.9900 14.6592 14.6625 k = 0.0000 0.0000 0.1764 ( 2767 PWs) bands (ev): -46.0589 -46.0589 -22.7656 -22.7648 -22.1187 -22.1187 -22.1002 -22.0994 -14.4003 -14.4002 -6.5613 -6.5588 -5.8827 -5.8826 -5.7882 -5.7842 -0.9176 -0.9092 0.9909 0.9913 1.0288 1.0441 7.5864 7.6140 7.9360 7.9595 8.0508 8.0539 8.7077 8.7086 8.7560 8.7613 9.0499 9.0556 9.3098 9.3709 9.7882 9.8256 9.9009 9.9290 12.6179 12.6325 12.8810 12.8865 12.9195 12.9304 14.6599 14.6629 k = 0.0000 0.0000 0.1638 ( 2769 PWs) bands (ev): -46.0590 -46.0590 -22.7650 -22.7644 -22.1188 -22.1187 -22.0989 -22.0981 -14.4045 -14.4043 -6.5549 -6.5525 -5.8839 -5.8838 -5.7963 -5.7925 -0.9247 -0.9167 0.9843 0.9847 1.0182 1.0327 7.6399 7.6703 7.9499 7.9759 8.0655 8.0687 8.7426 8.7429 8.7877 8.7901 9.0716 9.0779 9.3544 9.4219 9.8115 9.8492 9.9289 9.9604 12.6093 12.6263 12.8337 12.8392 12.8605 12.8736 14.6605 14.6633 k = 0.0000 0.0000 0.1512 ( 2765 PWs) bands (ev): -46.0590 -46.0590 -22.7645 -22.7639 -22.1188 -22.1188 -22.0976 -22.0968 -14.4084 -14.4083 -6.5493 -6.5470 -5.8851 -5.8850 -5.8034 -5.7998 -0.9315 -0.9239 0.9780 0.9783 1.0081 1.0218 7.6896 7.7227 7.9640 7.9926 8.0789 8.0821 8.7764 8.7778 8.8186 8.8189 9.0924 9.0991 9.3995 9.4727 9.8339 9.8721 9.9553 9.9898 12.5999 12.6197 12.7884 12.7960 12.8036 12.8215 14.6610 14.6636 k = 0.0000 0.0000 0.1386 ( 2761 PWs) bands (ev): -46.0590 -46.0590 -22.7641 -22.7635 -22.1189 -22.1189 -22.0963 -22.0956 -14.4121 -14.4120 -6.5445 -6.5424 -5.8861 -5.8861 -5.8095 -5.8061 -0.9379 -0.9308 0.9720 0.9724 0.9986 1.0115 7.7348 7.7703 7.9790 8.0097 8.0908 8.0941 8.8100 8.8121 8.8466 8.8492 9.1120 9.1191 9.4449 9.5231 9.8551 9.8942 9.9795 10.0162 12.5895 12.6123 12.7423 12.7491 12.7577 12.7778 14.6615 14.6638 k = 0.0000 0.0000 0.1260 ( 2745 PWs) bands (ev): -46.0591 -46.0591 -22.7635 -22.7630 -22.1189 -22.1189 -22.0951 -22.0944 -14.4156 -14.4155 -6.5405 -6.5385 -5.8872 -5.8871 -5.8146 -5.8114 -0.9439 -0.9373 0.9665 0.9669 0.9899 1.0018 7.7750 7.8121 7.9955 8.0275 8.1014 8.1049 8.8428 8.8456 8.8739 8.8784 9.1302 9.1375 9.4903 9.5729 9.8748 9.9154 10.0011 10.0393 12.5782 12.6039 12.6949 12.6977 12.7246 12.7437 14.6619 14.6640 k = 0.0000 0.0000 0.1134 ( 2749 PWs) bands (ev): -46.0591 -46.0591 -22.7632 -22.7626 -22.1190 -22.1189 -22.0940 -22.0934 -14.4188 -14.4187 -6.5371 -6.5353 -5.8881 -5.8880 -5.8188 -5.8159 -0.9494 -0.9433 0.9615 0.9618 0.9818 0.9927 7.8099 7.8472 8.0141 8.0459 8.1107 8.1144 8.8745 8.8777 8.8999 8.9061 9.1467 9.1543 9.5357 9.6219 9.8927 9.9354 10.0194 10.0582 12.5664 12.5939 12.6484 12.6501 12.6973 12.7174 14.6623 14.6642 k = 0.0000 0.0000 0.1008 ( 2749 PWs) bands (ev): -46.0591 -46.0591 -22.7628 -22.7623 -22.1190 -22.1190 -22.0930 -22.0925 -14.4217 -14.4216 -6.5344 -6.5327 -5.8890 -5.8889 -5.8222 -5.8195 -0.9544 -0.9489 0.9569 0.9572 0.9745 0.9844 7.8395 7.8750 8.0351 8.0648 8.1188 8.1228 8.9049 8.9081 8.9245 8.9320 9.1614 9.1691 9.5807 9.6700 9.9084 9.9542 10.0343 10.0725 12.5547 12.5807 12.6048 12.6084 12.6759 12.6969 14.6626 14.6643 k = 0.0000 0.0000 0.0882 ( 2749 PWs) bands (ev): -46.0592 -46.0592 -22.7624 -22.7620 -22.1191 -22.1190 -22.0921 -22.0917 -14.4243 -14.4243 -6.5323 -6.5308 -5.8897 -5.8897 -5.8249 -5.8225 -0.9588 -0.9540 0.9528 0.9531 0.9680 0.9769 7.8638 7.8960 8.0577 8.0835 8.1257 8.1303 8.9333 8.9364 8.9473 8.9558 9.1743 9.1818 9.6252 9.7170 9.9216 9.9716 10.0453 10.0816 12.5429 12.5559 12.5658 12.5819 12.6599 12.6808 14.6629 14.6644 k = 0.0000 0.0000 0.0756 ( 2755 PWs) bands (ev): -46.0592 -46.0592 -22.7622 -22.7618 -22.1191 -22.1191 -22.0914 -22.0910 -14.4266 -14.4266 -6.5306 -6.5293 -5.8904 -5.8904 -5.8269 -5.8249 -0.9627 -0.9585 0.9492 0.9496 0.9624 0.9701 7.8835 7.9112 8.0807 8.1011 8.1316 8.1371 8.9594 8.9617 8.9682 8.9774 9.1851 9.1924 9.6688 9.7628 9.9316 9.9875 10.0526 10.0854 12.5229 12.5233 12.5409 12.5685 12.6482 12.6680 14.6631 14.6644 k = 0.0000 0.0000 0.0630 ( 2761 PWs) bands (ev): -46.0592 -46.0592 -22.7619 -22.7616 -22.1192 -22.1192 -22.0908 -22.0904 -14.4286 -14.4285 -6.5293 -6.5282 -5.8910 -5.8909 -5.8285 -5.8267 -0.9660 -0.9625 0.9462 0.9466 0.9576 0.9642 7.8992 7.9220 8.1026 8.1167 8.1364 8.1436 8.9820 8.9835 8.9874 8.9968 9.1941 9.2008 9.7111 9.8070 9.9376 10.0016 10.0565 10.0835 12.4925 12.4941 12.5325 12.5585 12.6398 12.6577 14.6634 14.6644 k = 0.0000 0.0000 0.0504 ( 2769 PWs) bands (ev): -46.0592 -46.0592 -22.7618 -22.7615 -22.1192 -22.1192 -22.0902 -22.0900 -14.4302 -14.4302 -6.5284 -6.5275 -5.8915 -5.8914 -5.8295 -5.8282 -0.9686 -0.9658 0.9438 0.9442 0.9538 0.9592 7.9115 7.9293 8.1220 8.1288 8.1403 8.1502 8.9993 9.0010 9.0060 9.0141 9.2011 9.2071 9.7517 9.8495 9.9390 10.0141 10.0575 10.0760 12.4667 12.4682 12.5282 12.5505 12.6340 12.6493 14.6614 14.6636 k = 0.0000 0.0000 0.0378 ( 2769 PWs) bands (ev): -46.0592 -46.0592 -22.7616 -22.7614 -22.1192 -22.1192 -22.0898 -22.0896 -14.4315 -14.4315 -6.5277 -6.5270 -5.8918 -5.8918 -5.8303 -5.8292 -0.9706 -0.9685 0.9419 0.9423 0.9509 0.9550 7.9209 7.9340 8.1368 8.1378 8.1438 8.1569 9.0122 9.0141 9.0225 9.0286 9.2065 9.2114 9.7901 9.8898 9.9347 10.0247 10.0565 10.0630 12.4462 12.4474 12.5265 12.5441 12.6302 12.6424 14.6280 14.6301 k = 0.0000 0.0000 0.0252 ( 2771 PWs) bands (ev): -46.0592 -46.0592 -22.7614 -22.7613 -22.1193 -22.1193 -22.0895 -22.0893 -14.4324 -14.4324 -6.5272 -6.5268 -5.8921 -5.8921 -5.8307 -5.8300 -0.9719 -0.9705 0.9406 0.9409 0.9490 0.9518 7.9280 7.9365 8.1416 8.1442 8.1521 8.1625 9.0215 9.0231 9.0352 9.0393 9.2104 9.2139 9.8257 9.9240 9.9280 10.0335 10.0447 10.0541 12.4315 12.4323 12.5268 12.5390 12.6283 12.6368 14.6035 14.6049 k = 0.0000 0.0000 0.0126 ( 2773 PWs) bands (ev): -46.0592 -46.0592 -22.7614 -22.7613 -22.1193 -22.1193 -22.0892 -22.0892 -14.4329 -14.4329 -6.5269 -6.5267 -5.8923 -5.8922 -5.8308 -5.8305 -0.9726 -0.9719 0.9399 0.9400 0.9482 0.9496 7.9329 7.9371 8.1443 8.1454 8.1604 8.1655 9.0273 9.0282 9.0436 9.0457 9.2131 9.2149 9.8576 9.9077 9.9626 10.0216 10.0406 10.0507 12.4226 12.4230 12.5285 12.5347 12.6281 12.6325 14.5887 14.5894 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0593 -46.0593 -22.7613 -22.7613 -22.1193 -22.1193 -22.0892 -22.0892 -14.4331 -14.4331 -6.5267 -6.5267 -5.8923 -5.8923 -5.8308 -5.8308 -0.9726 -0.9726 0.9397 0.9397 0.9484 0.9484 7.9359 7.9359 8.1454 8.1454 8.1649 8.1649 9.0296 9.0296 9.0471 9.0471 9.2146 9.2146 9.8852 9.8852 9.9940 9.9940 10.0463 10.0463 12.4198 12.4198 12.5312 12.5312 12.6295 12.6295 14.5839 14.5839 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.0593 -46.0593 -22.7613 -22.7613 -22.1193 -22.1193 -22.0892 -22.0892 -14.4331 -14.4331 -6.5267 -6.5267 -5.8923 -5.8923 -5.8308 -5.8308 -0.9726 -0.9726 0.9397 0.9397 0.9484 0.9484 7.9359 7.9359 8.1454 8.1454 8.1649 8.1649 9.0296 9.0296 9.0471 9.0471 9.2146 9.2146 9.8852 9.8852 9.9940 9.9940 10.0463 10.0463 12.4198 12.4198 12.5312 12.5312 12.6295 12.6295 14.5839 14.5839 k =-0.0089 0.0089 0.0000 ( 2779 PWs) bands (ev): -46.0592 -46.0592 -22.7614 -22.7614 -22.1193 -22.1193 -22.0892 -22.0892 -14.4329 -14.4329 -6.5267 -6.5267 -5.8923 -5.8923 -5.8308 -5.8308 -0.9722 -0.9722 0.9401 0.9401 0.9488 0.9488 7.9349 7.9349 8.1439 8.1439 8.1640 8.1640 9.0264 9.0264 9.0453 9.0453 9.2146 9.2146 9.8834 9.8834 9.9920 9.9920 10.0449 10.0449 12.4217 12.4217 12.5325 12.5325 12.6316 12.6316 14.5852 14.5852 k =-0.0179 0.0178 0.0000 ( 2771 PWs) bands (ev): -46.0592 -46.0592 -22.7614 -22.7614 -22.1194 -22.1194 -22.0892 -22.0892 -14.4324 -14.4324 -6.5267 -6.5267 -5.8922 -5.8922 -5.8307 -5.8307 -0.9712 -0.9712 0.9412 0.9412 0.9501 0.9501 7.9317 7.9317 8.1390 8.1390 8.1613 8.1613 9.0169 9.0169 9.0399 9.0399 9.2146 9.2146 9.8778 9.8778 9.9859 9.9859 10.0407 10.0407 12.4275 12.4275 12.5364 12.5364 12.6379 12.6379 14.5889 14.5889 k =-0.0268 0.0267 0.0000 ( 2771 PWs) bands (ev): -46.0592 -46.0592 -22.7615 -22.7615 -22.1196 -22.1196 -22.0892 -22.0892 -14.4315 -14.4315 -6.5266 -6.5266 -5.8920 -5.8920 -5.8306 -5.8306 -0.9695 -0.9695 0.9427 0.9427 0.9526 0.9526 7.9264 7.9264 8.1307 8.1307 8.1572 8.1572 9.0012 9.0012 9.0310 9.0310 9.2148 9.2148 9.8682 9.8682 9.9759 9.9759 10.0339 10.0339 12.4371 12.4371 12.5428 12.5428 12.6483 12.6483 14.5951 14.5951 k =-0.0357 0.0356 0.0000 ( 2765 PWs) bands (ev): -46.0592 -46.0592 -22.7616 -22.7616 -22.1199 -22.1199 -22.0893 -22.0893 -14.4303 -14.4303 -6.5266 -6.5266 -5.8918 -5.8918 -5.8304 -5.8304 -0.9671 -0.9671 0.9443 0.9443 0.9565 0.9565 7.9186 7.9186 8.1188 8.1189 8.1521 8.1521 8.9793 8.9793 9.0190 9.0190 9.2150 9.2150 9.8541 9.8541 9.9625 9.9625 10.0247 10.0247 12.4503 12.4503 12.5518 12.5518 12.6627 12.6627 14.6036 14.6036 k =-0.0446 0.0445 0.0000 ( 2765 PWs) bands (ev): -46.0592 -46.0592 -22.7619 -22.7619 -22.1202 -22.1202 -22.0894 -22.0894 -14.4287 -14.4287 -6.5265 -6.5265 -5.8915 -5.8915 -5.8302 -5.8302 -0.9640 -0.9640 0.9458 0.9458 0.9619 0.9619 7.9082 7.9082 8.1037 8.1037 8.1459 8.1459 8.9518 8.9518 9.0038 9.0038 9.2153 9.2153 9.8352 9.8352 9.9464 9.9464 10.0135 10.0135 12.4672 12.4672 12.5632 12.5632 12.6808 12.6808 14.6144 14.6144 k =-0.0536 0.0534 0.0000 ( 2769 PWs) bands (ev): -46.0592 -46.0592 -22.7621 -22.7621 -22.1207 -22.1207 -22.0895 -22.0895 -14.4268 -14.4268 -6.5265 -6.5265 -5.8911 -5.8911 -5.8298 -5.8298 -0.9604 -0.9604 0.9474 0.9474 0.9687 0.9687 7.8949 7.8949 8.0857 8.0857 8.1386 8.1386 8.9191 8.9191 8.9857 8.9857 9.2158 9.2158 9.8110 9.8110 9.9282 9.9282 10.0005 10.0005 12.4874 12.4874 12.5771 12.5771 12.7025 12.7025 14.6273 14.6273 k =-0.0625 0.0623 0.0000 ( 2773 PWs) bands (ev): -46.0592 -46.0592 -22.7625 -22.7625 -22.1212 -22.1212 -22.0896 -22.0896 -14.4246 -14.4246 -6.5264 -6.5264 -5.8907 -5.8907 -5.8293 -5.8293 -0.9562 -0.9562 0.9491 0.9491 0.9768 0.9768 7.8781 7.8781 8.0654 8.0654 8.1304 8.1304 8.8816 8.8816 8.9647 8.9647 9.2166 9.2166 9.7810 9.7810 9.9088 9.9088 9.9859 9.9859 12.5108 12.5108 12.5933 12.5933 12.7276 12.7276 14.6421 14.6421 k =-0.0714 0.0712 0.0000 ( 2777 PWs) bands (ev): -46.0591 -46.0591 -22.7628 -22.7628 -22.1218 -22.1218 -22.0898 -22.0898 -14.4221 -14.4221 -6.5262 -6.5262 -5.8902 -5.8902 -5.8287 -5.8287 -0.9515 -0.9515 0.9510 0.9510 0.9859 0.9859 7.8576 7.8576 8.0434 8.0434 8.1211 8.1211 8.8398 8.8398 8.9411 8.9411 9.2176 9.2176 9.7455 9.7455 9.8884 9.8884 9.9700 9.9700 12.5373 12.5373 12.6119 12.6119 12.7557 12.7557 14.6588 14.6588 k =-0.0804 0.0801 0.0000 ( 2777 PWs) bands (ev): -46.0591 -46.0591 -22.7632 -22.7632 -22.1225 -22.1225 -22.0900 -22.0900 -14.4192 -14.4192 -6.5261 -6.5261 -5.8896 -5.8896 -5.8278 -5.8278 -0.9464 -0.9464 0.9530 0.9530 0.9961 0.9961 7.8329 7.8329 8.0201 8.0201 8.1109 8.1109 8.7944 8.7944 8.9149 8.9149 9.2190 9.2190 9.7047 9.7047 9.8674 9.8674 9.9530 9.9530 12.5666 12.5666 12.6326 12.6326 12.7866 12.7866 14.6772 14.6772 k =-0.0893 0.0890 0.0000 ( 2771 PWs) bands (ev): -46.0591 -46.0591 -22.7636 -22.7636 -22.1232 -22.1232 -22.0901 -22.0901 -14.4161 -14.4161 -6.5259 -6.5259 -5.8890 -5.8890 -5.8268 -5.8268 -0.9409 -0.9409 0.9551 0.9551 1.0071 1.0071 7.8038 7.8038 7.9959 7.9959 8.0998 8.0998 8.7457 8.7457 8.8866 8.8866 9.2208 9.2208 9.6593 9.6593 9.8458 9.8458 9.9351 9.9351 12.5984 12.5984 12.6556 12.6556 12.8199 12.8199 14.6970 14.6970 k =-0.0982 0.0979 0.0000 ( 2771 PWs) bands (ev): -46.0591 -46.0591 -22.7641 -22.7641 -22.1240 -22.1240 -22.0903 -22.0903 -14.4127 -14.4127 -6.5256 -6.5256 -5.8883 -5.8883 -5.8255 -5.8255 -0.9350 -0.9350 0.9574 0.9574 1.0187 1.0187 7.7704 7.7704 7.9711 7.9712 8.0879 8.0879 8.6941 8.6941 8.8561 8.8561 9.2230 9.2230 9.6100 9.6100 9.8235 9.8235 9.9165 9.9165 12.6326 12.6326 12.6807 12.6807 12.8555 12.8555 14.7181 14.7181 k =-0.1071 0.1068 0.0000 ( 2767 PWs) bands (ev): -46.0590 -46.0590 -22.7646 -22.7646 -22.1248 -22.1248 -22.0905 -22.0905 -14.4090 -14.4090 -6.5253 -6.5253 -5.8875 -5.8875 -5.8239 -5.8239 -0.9289 -0.9289 0.9599 0.9599 1.0310 1.0310 7.7327 7.7327 7.9457 7.9457 8.0754 8.0754 8.6400 8.6400 8.8238 8.8238 9.2258 9.2258 9.5576 9.5576 9.8006 9.8006 9.8976 9.8976 12.6687 12.6687 12.7078 12.7078 12.8931 12.8931 14.7403 14.7403 k =-0.1161 0.1157 0.0000 ( 2759 PWs) bands (ev): -46.0590 -46.0590 -22.7651 -22.7651 -22.1257 -22.1257 -22.0907 -22.0907 -14.4051 -14.4051 -6.5249 -6.5249 -5.8867 -5.8867 -5.8220 -5.8220 -0.9226 -0.9226 0.9626 0.9626 1.0437 1.0437 7.6912 7.6912 7.9194 7.9194 8.0624 8.0624 8.5837 8.5837 8.7899 8.7899 9.2292 9.2292 9.5029 9.5029 9.7770 9.7770 9.8786 9.8786 12.7064 12.7064 12.7371 12.7371 12.9323 12.9323 14.7634 14.7634 k =-0.1250 0.1246 0.0000 ( 2755 PWs) bands (ev): -46.0589 -46.0589 -22.7656 -22.7656 -22.1267 -22.1267 -22.0909 -22.0909 -14.4009 -14.4009 -6.5244 -6.5244 -5.8858 -5.8858 -5.8198 -5.8198 -0.9162 -0.9162 0.9654 0.9654 1.0567 1.0567 7.6464 7.6464 7.8919 7.8919 8.0489 8.0489 8.5255 8.5255 8.7545 8.7545 9.2331 9.2331 9.4465 9.4465 9.7526 9.7526 9.8599 9.8599 12.7453 12.7453 12.7687 12.7687 12.9730 12.9730 14.7873 14.7873 k =-0.1339 0.1335 0.0000 ( 2757 PWs) bands (ev): -46.0589 -46.0589 -22.7663 -22.7663 -22.1277 -22.1277 -22.0912 -22.0912 -14.3965 -14.3965 -6.5237 -6.5237 -5.8849 -5.8849 -5.8173 -5.8173 -0.9096 -0.9096 0.9684 0.9684 1.0697 1.0697 7.5988 7.5988 7.8632 7.8632 8.0351 8.0351 8.4654 8.4654 8.7178 8.7178 9.2376 9.2376 9.3894 9.3894 9.7273 9.7273 9.8418 9.8418 12.7844 12.7844 12.8031 12.8031 13.0151 13.0151 14.8118 14.8118 k =-0.1429 0.1424 0.0000 ( 2759 PWs) bands (ev): -46.0589 -46.0589 -22.7669 -22.7669 -22.1288 -22.1288 -22.0915 -22.0915 -14.3920 -14.3920 -6.5228 -6.5228 -5.8839 -5.8839 -5.8145 -5.8145 -0.9031 -0.9031 0.9715 0.9715 1.0827 1.0827 7.5490 7.5490 7.8328 7.8328 8.0211 8.0211 8.4038 8.4038 8.6802 8.6802 9.2427 9.2427 9.3322 9.3322 9.7012 9.7012 9.8246 9.8246 12.8227 12.8227 12.8410 12.8410 13.0582 13.0582 14.8368 14.8368 k =-0.1518 0.1513 0.0000 ( 2759 PWs) bands (ev): -46.0588 -46.0588 -22.7676 -22.7676 -22.1300 -22.1300 -22.0918 -22.0918 -14.3872 -14.3872 -6.5217 -6.5217 -5.8828 -5.8828 -5.8114 -5.8114 -0.8966 -0.8966 0.9747 0.9747 1.0956 1.0956 7.4976 7.4976 7.8008 7.8009 8.0068 8.0068 8.3406 8.3406 8.6417 8.6417 9.2482 9.2482 9.2760 9.2760 9.6740 9.6740 9.8087 9.8087 12.8602 12.8602 12.8823 12.8823 13.1022 13.1022 14.8620 14.8620 k =-0.1607 0.1602 0.0000 ( 2759 PWs) bands (ev): -46.0588 -46.0588 -22.7683 -22.7683 -22.1311 -22.1311 -22.0920 -22.0920 -14.3823 -14.3823 -6.5203 -6.5203 -5.8817 -5.8817 -5.8079 -5.8079 -0.8902 -0.8902 0.9779 0.9779 1.1080 1.1080 7.4449 7.4449 7.7671 7.7671 7.9923 7.9923 8.2761 8.2761 8.6025 8.6025 9.2199 9.2199 9.2555 9.2555 9.6459 9.6459 9.7944 9.7944 12.8977 12.8977 12.9256 12.9256 13.1470 13.1470 14.8874 14.8874 k =-0.1696 0.1692 0.0000 ( 2753 PWs) bands (ev): -46.0587 -46.0587 -22.7690 -22.7690 -22.1323 -22.1323 -22.0923 -22.0923 -14.3773 -14.3773 -6.5187 -6.5187 -5.8805 -5.8805 -5.8042 -5.8042 -0.8839 -0.8839 0.9813 0.9813 1.1200 1.1200 7.3914 7.3914 7.7317 7.7317 7.9774 7.9774 8.2103 8.2103 8.5628 8.5628 9.1670 9.1670 9.2623 9.2623 9.6167 9.6167 9.7819 9.7819 12.9358 12.9358 12.9701 12.9701 13.1925 13.1925 14.9128 14.9128 k =-0.1786 0.1781 0.0000 ( 2744 PWs) bands (ev): -46.0587 -46.0587 -22.7697 -22.7697 -22.1335 -22.1335 -22.0926 -22.0926 -14.3721 -14.3721 -6.5166 -6.5166 -5.8793 -5.8793 -5.8002 -5.8002 -0.8778 -0.8778 0.9847 0.9847 1.1313 1.1313 7.3375 7.3375 7.6945 7.6945 7.9620 7.9620 8.1437 8.1437 8.5228 8.5228 9.1166 9.1166 9.2698 9.2698 9.5865 9.5865 9.7714 9.7714 12.9746 12.9746 13.0154 13.0154 13.2386 13.2386 14.9382 14.9382 k =-0.1875 0.1870 0.0000 ( 2740 PWs) bands (ev): -46.0586 -46.0586 -22.7705 -22.7705 -22.1348 -22.1348 -22.0929 -22.0929 -14.3669 -14.3669 -6.5142 -6.5142 -5.8780 -5.8780 -5.7960 -5.7960 -0.8720 -0.8720 0.9881 0.9881 1.1418 1.1418 7.2835 7.2835 7.6558 7.6558 7.9453 7.9453 8.0769 8.0769 8.4826 8.4826 9.0695 9.0695 9.2777 9.2777 9.5553 9.5553 9.7631 9.7631 13.0142 13.0142 13.0610 13.0610 13.2851 13.2851 14.9633 14.9633 k =-0.1964 0.1959 0.0000 ( 2736 PWs) bands (ev): -46.0586 -46.0586 -22.7712 -22.7712 -22.1361 -22.1361 -22.0932 -22.0932 -14.3615 -14.3615 -6.5113 -6.5113 -5.8767 -5.8767 -5.7917 -5.7917 -0.8665 -0.8665 0.9915 0.9915 1.1515 1.1515 7.2297 7.2297 7.6157 7.6157 7.9248 7.9248 8.0124 8.0124 8.4423 8.4423 9.0261 9.0261 9.2860 9.2860 9.5234 9.5234 9.7570 9.7570 13.0545 13.0545 13.1069 13.1069 13.3319 13.3319 14.9881 14.9881 k =-0.2054 0.2048 0.0000 ( 2732 PWs) bands (ev): -46.0585 -46.0585 -22.7720 -22.7720 -22.1374 -22.1374 -22.0935 -22.0935 -14.3562 -14.3562 -6.5080 -6.5080 -5.8754 -5.8754 -5.7872 -5.7872 -0.8613 -0.8613 0.9948 0.9948 1.1602 1.1602 7.1763 7.1763 7.5742 7.5742 7.8918 7.8918 7.9594 7.9594 8.4022 8.4022 8.9869 8.9869 9.2946 9.2946 9.4907 9.4907 9.7531 9.7531 13.0954 13.0954 13.1527 13.1527 13.3789 13.3789 15.0125 15.0125 k =-0.2143 0.2137 0.0000 ( 2742 PWs) bands (ev): -46.0585 -46.0585 -22.7729 -22.7729 -22.1388 -22.1388 -22.0939 -22.0939 -14.3507 -14.3507 -6.5040 -6.5040 -5.8740 -5.8740 -5.7826 -5.7826 -0.8564 -0.8564 0.9980 0.9980 1.1679 1.1679 7.1235 7.1235 7.5317 7.5317 7.8361 7.8361 7.9279 7.9279 8.3622 8.3622 8.9523 8.9523 9.3033 9.3033 9.4575 9.4575 9.7516 9.7516 13.1369 13.1369 13.1984 13.1984 13.4261 13.4261 15.0365 15.0365 k =-0.2232 0.2226 0.0000 ( 2742 PWs) bands (ev): -46.0584 -46.0584 -22.7737 -22.7737 -22.1402 -22.1402 -22.0942 -22.0942 -14.3453 -14.3453 -6.4995 -6.4995 -5.8726 -5.8726 -5.7780 -5.7780 -0.8519 -0.8519 1.0010 1.0010 1.1746 1.1746 7.0716 7.0716 7.4883 7.4883 7.7678 7.7678 7.9080 7.9080 8.3225 8.3225 8.9225 8.9225 9.3119 9.3119 9.4241 9.4241 9.7524 9.7524 13.1787 13.1787 13.2437 13.2437 13.4734 13.4734 15.0598 15.0598 k =-0.2321 0.2315 0.0000 ( 2742 PWs) bands (ev): -46.0584 -46.0584 -22.7746 -22.7746 -22.1416 -22.1416 -22.0945 -22.0945 -14.3399 -14.3399 -6.4944 -6.4944 -5.8712 -5.8712 -5.7734 -5.7734 -0.8479 -0.8479 1.0039 1.0039 1.1801 1.1801 7.0206 7.0206 7.4441 7.4441 7.6954 7.6954 7.8917 7.8917 8.2833 8.2833 8.8978 8.8978 9.3197 9.3197 9.3912 9.3912 9.7554 9.7554 13.2208 13.2208 13.2886 13.2886 13.5206 13.5206 15.0826 15.0826 k =-0.2411 0.2404 0.0000 ( 2746 PWs) bands (ev): -46.0583 -46.0583 -22.7754 -22.7754 -22.1430 -22.1430 -22.0949 -22.0949 -14.3345 -14.3345 -6.4886 -6.4886 -5.8697 -5.8697 -5.7690 -5.7690 -0.8442 -0.8442 1.0064 1.0064 1.1846 1.1846 6.9707 6.9707 7.3994 7.3994 7.6213 7.6213 7.8768 7.8768 8.2446 8.2446 8.8782 8.8782 9.3237 9.3237 9.3618 9.3618 9.7605 9.7605 13.2631 13.2631 13.3329 13.3329 13.5677 13.5677 15.1046 15.1046 k =-0.2500 0.2493 0.0000 ( 2746 PWs) bands (ev): -46.0583 -46.0583 -22.7763 -22.7763 -22.1444 -22.1444 -22.0952 -22.0952 -14.3291 -14.3291 -6.4820 -6.4820 -5.8682 -5.8682 -5.7647 -5.7647 -0.8410 -0.8410 1.0086 1.0086 1.1882 1.1882 6.9219 6.9219 7.3544 7.3544 7.5463 7.5463 7.8624 7.8624 8.2065 8.2065 8.8639 8.8639 9.3091 9.3092 9.3508 9.3508 9.7678 9.7678 13.3054 13.3054 13.3766 13.3766 13.6146 13.6146 15.1259 15.1259 k =-0.2589 0.2582 0.0000 ( 2742 PWs) bands (ev): -46.0582 -46.0582 -22.7771 -22.7771 -22.1457 -22.1457 -22.0955 -22.0955 -14.3238 -14.3238 -6.4748 -6.4748 -5.8667 -5.8667 -5.7606 -5.7606 -0.8382 -0.8382 1.0103 1.0103 1.1908 1.1908 6.8743 6.8743 7.3093 7.3093 7.4711 7.4711 7.8486 7.8486 8.1691 8.1691 8.8549 8.8549 9.2786 9.2786 9.3558 9.3558 9.7770 9.7770 13.3476 13.3476 13.4194 13.4194 13.6612 13.6612 15.1464 15.1464 k =-0.2679 0.2671 0.0000 ( 2732 PWs) bands (ev): -46.0582 -46.0582 -22.7779 -22.7779 -22.1470 -22.1470 -22.0958 -22.0958 -14.3185 -14.3185 -6.4667 -6.4667 -5.8652 -5.8652 -5.7569 -5.7569 -0.8359 -0.8359 1.0115 1.0115 1.1926 1.1926 6.8279 6.8279 7.2642 7.2642 7.3961 7.3961 7.8350 7.8350 8.1325 8.1325 8.8510 8.8510 9.2450 9.2450 9.3637 9.3637 9.7880 9.7880 13.3897 13.3897 13.4613 13.4613 13.7073 13.7073 15.1661 15.1661 k =-0.2768 0.2760 0.0000 ( 2736 PWs) bands (ev): -46.0581 -46.0581 -22.7787 -22.7787 -22.1484 -22.1484 -22.0962 -22.0962 -14.3134 -14.3134 -6.4579 -6.4579 -5.8637 -5.8637 -5.7535 -5.7535 -0.8340 -0.8340 1.0120 1.0120 1.1938 1.1938 6.7828 6.7828 7.2192 7.2192 7.3217 7.3217 7.8217 7.8217 8.0968 8.0968 8.8522 8.8522 9.2110 9.2110 9.3722 9.3722 9.8007 9.8007 13.4314 13.4314 13.5022 13.5022 13.7529 13.7529 15.1849 15.1849 k =-0.2857 0.2849 0.0000 ( 2744 PWs) bands (ev): -46.0581 -46.0581 -22.7796 -22.7796 -22.1498 -22.1498 -22.0965 -22.0965 -14.3083 -14.3083 -6.4483 -6.4483 -5.8622 -5.8622 -5.7506 -5.7506 -0.8326 -0.8326 1.0118 1.0118 1.1945 1.1945 6.7390 6.7390 7.1745 7.1745 7.2481 7.2481 7.8087 7.8087 8.0620 8.0620 8.8582 8.8582 9.1769 9.1769 9.3809 9.3809 9.8148 9.8148 13.4726 13.4726 13.5421 13.5421 13.7979 13.7979 15.2027 15.2027 k =-0.2946 0.2938 0.0000 ( 2742 PWs) bands (ev): -46.0580 -46.0580 -22.7804 -22.7804 -22.1512 -22.1512 -22.0968 -22.0968 -14.3034 -14.3034 -6.4379 -6.4379 -5.8607 -5.8607 -5.7482 -5.7482 -0.8316 -0.8316 1.0108 1.0108 1.1949 1.1949 6.6964 6.6964 7.1301 7.1301 7.1761 7.1761 7.7960 7.7960 8.0282 8.0282 8.8688 8.8688 9.1432 9.1432 9.3896 9.3896 9.8303 9.8303 13.5132 13.5132 13.5808 13.5808 13.8422 13.8422 15.2197 15.2197 k =-0.3036 0.3027 0.0000 ( 2738 PWs) bands (ev): -46.0580 -46.0580 -22.7812 -22.7812 -22.1524 -22.1524 -22.0971 -22.0971 -14.2986 -14.2986 -6.4267 -6.4267 -5.8592 -5.8592 -5.7464 -5.7464 -0.8310 -0.8310 1.0088 1.0088 1.1951 1.1951 6.6552 6.6552 7.0845 7.0845 7.1072 7.1072 7.7836 7.7836 7.9955 7.9955 8.8838 8.8838 9.1100 9.1100 9.3983 9.3983 9.8469 9.8469 13.5532 13.5532 13.6184 13.6184 13.8856 13.8856 15.2357 15.2357 k =-0.3125 0.3116 0.0000 ( 2740 PWs) bands (ev): -46.0579 -46.0579 -22.7820 -22.7820 -22.1537 -22.1537 -22.0974 -22.0974 -14.2940 -14.2940 -6.4147 -6.4147 -5.8577 -5.8577 -5.7451 -5.7451 -0.8309 -0.8309 1.0060 1.0060 1.1952 1.1952 6.6153 6.6153 7.0287 7.0287 7.0512 7.0512 7.7714 7.7714 7.9639 7.9639 8.9029 8.9029 9.0775 9.0775 9.4068 9.4068 9.8644 9.8644 13.5923 13.5923 13.6546 13.6546 13.9281 13.9281 15.2507 15.2507 k =-0.3214 0.3205 0.0000 ( 2744 PWs) bands (ev): -46.0579 -46.0579 -22.7828 -22.7828 -22.1550 -22.1550 -22.0977 -22.0977 -14.2895 -14.2895 -6.4020 -6.4020 -5.8563 -5.8563 -5.7446 -5.7446 -0.8311 -0.8311 1.0022 1.0022 1.1955 1.1955 6.5767 6.5767 6.9635 6.9635 7.0076 7.0076 7.7596 7.7596 7.9334 7.9334 8.9256 8.9256 9.0457 9.0457 9.4153 9.4153 9.8826 9.8826 13.6305 13.6305 13.6895 13.6895 13.9694 13.9694 15.2648 15.2648 k =-0.3304 0.3294 0.0000 ( 2740 PWs) bands (ev): -46.0578 -46.0578 -22.7835 -22.7835 -22.1562 -22.1562 -22.0979 -22.0979 -14.2852 -14.2852 -6.3885 -6.3885 -5.8549 -5.8549 -5.7448 -5.7448 -0.8317 -0.8317 0.9974 0.9974 1.1961 1.1961 6.5393 6.5393 6.8986 6.8986 6.9670 6.9670 7.7481 7.7481 7.9042 7.9042 8.9515 8.9515 9.0149 9.0149 9.4237 9.4237 9.9014 9.9014 13.6676 13.6676 13.7230 13.7230 14.0095 14.0095 15.2778 15.2778 k =-0.3393 0.3383 0.0000 ( 2738 PWs) bands (ev): -46.0578 -46.0578 -22.7842 -22.7842 -22.1574 -22.1574 -22.0982 -22.0982 -14.2810 -14.2810 -6.3743 -6.3743 -5.8535 -5.8535 -5.7458 -5.7458 -0.8326 -0.8326 0.9918 0.9918 1.1968 1.1968 6.5033 6.5033 6.8357 6.8358 6.9282 6.9282 7.7369 7.7369 7.8762 7.8762 8.9770 8.9770 8.9884 8.9884 9.4320 9.4320 9.9205 9.9205 13.7036 13.7036 13.7551 13.7551 14.0484 14.0484 15.2900 15.2900 k =-0.3482 0.3472 0.0000 ( 2738 PWs) bands (ev): -46.0577 -46.0577 -22.7849 -22.7849 -22.1585 -22.1585 -22.0984 -22.0984 -14.2771 -14.2771 -6.3595 -6.3595 -5.8521 -5.8521 -5.7475 -5.7475 -0.8339 -0.8339 0.9854 0.9854 1.1979 1.1979 6.4685 6.4685 6.7754 6.7754 6.8908 6.8908 7.7262 7.7262 7.8495 7.8495 8.9550 8.9550 9.0129 9.0129 9.4401 9.4401 9.9397 9.9397 13.7382 13.7382 13.7857 13.7857 14.0857 14.0857 15.3011 15.3011 k =-0.3571 0.3561 0.0000 ( 2744 PWs) bands (ev): -46.0577 -46.0577 -22.7856 -22.7856 -22.1596 -22.1596 -22.0987 -22.0987 -14.2733 -14.2733 -6.3441 -6.3441 -5.8509 -5.8509 -5.7501 -5.7501 -0.8354 -0.8354 0.9784 0.9784 1.1993 1.1993 6.4350 6.4350 6.7180 6.7180 6.8551 6.8551 7.7158 7.7158 7.8242 7.8242 8.9275 8.9275 9.0459 9.0459 9.4482 9.4482 9.9589 9.9589 13.7715 13.7715 13.8148 13.8148 14.1216 14.1216 15.3113 15.3113 k =-0.3661 0.3650 0.0000 ( 2740 PWs) bands (ev): -46.0576 -46.0576 -22.7862 -22.7862 -22.1606 -22.1606 -22.0989 -22.0989 -14.2697 -14.2697 -6.3282 -6.3282 -5.8496 -5.8496 -5.7535 -5.7535 -0.8371 -0.8371 0.9709 0.9709 1.2010 1.2010 6.4028 6.4028 6.6636 6.6636 6.8211 6.8211 7.7059 7.7059 7.8002 7.8002 8.9011 8.9011 9.0806 9.0806 9.4562 9.4562 9.9780 9.9780 13.8033 13.8033 13.8424 13.8424 14.1557 14.1557 15.3206 15.3206 k =-0.3750 0.3739 0.0000 ( 2738 PWs) bands (ev): -46.0576 -46.0576 -22.7868 -22.7868 -22.1616 -22.1616 -22.0991 -22.0991 -14.2664 -14.2664 -6.3118 -6.3118 -5.8485 -5.8485 -5.7577 -5.7577 -0.8390 -0.8390 0.9630 0.9630 1.2029 1.2029 6.3718 6.3718 6.6126 6.6126 6.7889 6.7889 7.6964 7.6964 7.7776 7.7776 8.8760 8.8760 9.1162 9.1162 9.4641 9.4641 9.9966 9.9966 13.8334 13.8334 13.8684 13.8684 14.1881 14.1881 15.3290 15.3290 k =-0.3839 0.3828 0.0000 ( 2740 PWs) bands (ev): -46.0576 -46.0576 -22.7874 -22.7874 -22.1625 -22.1625 -22.0994 -22.0994 -14.2633 -14.2633 -6.2951 -6.2951 -5.8474 -5.8474 -5.7627 -5.7627 -0.8410 -0.8410 0.9550 0.9550 1.2049 1.2049 6.3419 6.3419 6.5652 6.5652 6.7585 6.7585 7.6874 7.6874 7.7565 7.7565 8.8523 8.8523 9.1521 9.1521 9.4719 9.4719 10.0147 10.0147 13.8617 13.8617 13.8929 13.8929 14.2185 14.2185 15.3365 15.3365 k =-0.3929 0.3917 0.0000 ( 2738 PWs) bands (ev): -46.0575 -46.0575 -22.7879 -22.7879 -22.1634 -22.1634 -22.0995 -22.0995 -14.2603 -14.2603 -6.2781 -6.2781 -5.8464 -5.8464 -5.7684 -5.7684 -0.8432 -0.8432 0.9469 0.9469 1.2071 1.2071 6.3134 6.3134 6.5214 6.5214 6.7300 6.7300 7.6789 7.6789 7.7369 7.7369 8.8301 8.8301 9.1877 9.1877 9.4798 9.4798 10.0321 10.0321 13.8882 13.8882 13.9158 13.9158 14.2470 14.2470 15.3432 15.3432 k =-0.4018 0.4006 0.0000 ( 2738 PWs) bands (ev): -46.0575 -46.0575 -22.7884 -22.7884 -22.1642 -22.1642 -22.0997 -22.0997 -14.2576 -14.2576 -6.2611 -6.2611 -5.8455 -5.8455 -5.7749 -5.7749 -0.8453 -0.8453 0.9390 0.9390 1.2093 1.2093 6.2860 6.2860 6.4816 6.4816 6.7036 6.7036 7.6710 7.6710 7.7187 7.7187 8.8094 8.8094 9.2224 9.2224 9.4876 9.4876 10.0487 10.0487 13.9127 13.9127 13.9372 13.9372 14.2735 14.2735 15.3492 15.3492 k =-0.4107 0.4095 0.0000 ( 2744 PWs) bands (ev): -46.0575 -46.0575 -22.7889 -22.7889 -22.1650 -22.1650 -22.0999 -22.0999 -14.2552 -14.2552 -6.2441 -6.2441 -5.8447 -5.8447 -5.7819 -5.7819 -0.8475 -0.8475 0.9313 0.9313 1.2115 1.2115 6.2601 6.2601 6.4456 6.4456 6.6792 6.6792 7.6636 7.6636 7.7020 7.7020 8.7904 8.7904 9.2557 9.2557 9.4954 9.4954 10.0644 10.0644 13.9351 13.9351 13.9570 13.9571 14.2978 14.2978 15.3543 15.3543 k =-0.4196 0.4184 0.0000 ( 2744 PWs) bands (ev): -46.0574 -46.0574 -22.7893 -22.7893 -22.1657 -22.1657 -22.1000 -22.1000 -14.2529 -14.2529 -6.2273 -6.2273 -5.8440 -5.8440 -5.7894 -5.7894 -0.8496 -0.8496 0.9240 0.9240 1.2137 1.2137 6.2355 6.2355 6.4137 6.4137 6.6569 6.6569 7.6569 7.6569 7.6869 7.6869 8.7730 8.7730 9.2869 9.2869 9.5034 9.5034 10.0789 10.0789 13.9553 13.9553 13.9754 13.9754 14.3199 14.3199 15.3588 15.3588 k =-0.4286 0.4273 0.0000 ( 2742 PWs) bands (ev): -46.0574 -46.0574 -22.7897 -22.7897 -22.1663 -22.1663 -22.1002 -22.1002 -14.2509 -14.2509 -6.2110 -6.2110 -5.8435 -5.8435 -5.7972 -5.7972 -0.8517 -0.8517 0.9172 0.9172 1.2158 1.2158 6.2127 6.2127 6.3856 6.3856 6.6368 6.6368 7.6507 7.6507 7.6733 7.6733 8.7573 8.7573 9.3154 9.3154 9.5116 9.5116 10.0922 10.0922 13.9731 13.9731 13.9923 13.9923 14.3398 14.3398 15.3626 15.3626 k =-0.4375 0.4362 0.0000 ( 2742 PWs) bands (ev): -46.0574 -46.0574 -22.7901 -22.7901 -22.1668 -22.1668 -22.1003 -22.1003 -14.2491 -14.2491 -6.1953 -6.1953 -5.8432 -5.8432 -5.8050 -5.8050 -0.8536 -0.8536 0.9109 0.9109 1.2177 1.2177 6.1917 6.1917 6.3614 6.3614 6.6190 6.6190 7.6452 7.6452 7.6613 7.6613 8.7433 8.7433 9.3409 9.3409 9.5199 9.5199 10.1042 10.1042 13.9887 13.9887 14.0076 14.0076 14.3573 14.3573 15.3659 15.3659 k =-0.4464 0.4451 0.0000 ( 2736 PWs) bands (ev): -46.0574 -46.0574 -22.7903 -22.7903 -22.1673 -22.1673 -22.1004 -22.1004 -14.2476 -14.2476 -6.1805 -6.1805 -5.8433 -5.8433 -5.8126 -5.8126 -0.8553 -0.8553 0.9054 0.9054 1.2195 1.2195 6.1729 6.1729 6.3408 6.3408 6.6035 6.6035 7.6404 7.6404 7.6508 7.6508 8.7312 8.7312 9.3628 9.3628 9.5282 9.5282 10.1149 10.1149 14.0019 14.0019 14.0211 14.0211 14.3726 14.3726 15.3686 15.3686 k =-0.4554 0.4540 0.0000 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7906 -22.7906 -22.1677 -22.1677 -22.1005 -22.1005 -14.2463 -14.2463 -6.1670 -6.1670 -5.8438 -5.8438 -5.8194 -5.8194 -0.8568 -0.8568 0.9005 0.9005 1.2211 1.2211 6.1565 6.1565 6.3237 6.3237 6.5903 6.5903 7.6362 7.6362 7.6420 7.6420 8.7209 8.7209 9.3810 9.3810 9.5364 9.5364 10.1240 10.1240 14.0130 14.0130 14.0329 14.0329 14.3855 14.3855 15.3708 15.3708 k =-0.4643 0.4629 0.0000 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7908 -22.7908 -22.1680 -22.1680 -22.1005 -22.1005 -14.2452 -14.2452 -6.1551 -6.1551 -5.8450 -5.8450 -5.8250 -5.8250 -0.8581 -0.8581 0.8965 0.8965 1.2224 1.2224 6.1427 6.1427 6.3099 6.3099 6.5794 6.5794 7.6326 7.6326 7.6350 7.6350 8.7124 8.7124 9.3955 9.3955 9.5441 9.5441 10.1315 10.1315 14.0219 14.0219 14.0427 14.0427 14.3961 14.3961 15.3725 15.3725 k =-0.4732 0.4718 0.0000 ( 2726 PWs) bands (ev): -46.0573 -46.0573 -22.7909 -22.7909 -22.1682 -22.1682 -22.1006 -22.1006 -14.2444 -14.2444 -6.1453 -6.1453 -5.8470 -5.8470 -5.8289 -5.8289 -0.8591 -0.8591 0.8933 0.8933 1.2234 1.2234 6.1318 6.1318 6.2994 6.2994 6.5710 6.5710 7.6286 7.6286 7.6307 7.6307 8.7058 8.7058 9.4063 9.4063 9.5507 9.5507 10.1375 10.1375 14.0289 14.0289 14.0504 14.0504 14.4043 14.4043 15.3738 15.3738 k =-0.4821 0.4807 0.0000 ( 2730 PWs) bands (ev): -46.0573 -46.0573 -22.7910 -22.7910 -22.1684 -22.1684 -22.1006 -22.1006 -14.2438 -14.2438 -6.1379 -6.1379 -5.8493 -5.8493 -5.8311 -5.8311 -0.8599 -0.8599 0.8910 0.8910 1.2241 1.2241 6.1239 6.1239 6.2920 6.2920 6.5649 6.5649 7.6248 7.6248 7.6286 7.6286 8.7010 8.7010 9.4138 9.4138 9.5560 9.5560 10.1417 10.1417 14.0338 14.0338 14.0559 14.0559 14.4102 14.4102 15.3747 15.3747 k =-0.4911 0.4896 0.0000 ( 2724 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1685 -22.1685 -22.1006 -22.1006 -14.2434 -14.2434 -6.1333 -6.1333 -5.8511 -5.8511 -5.8322 -5.8322 -0.8603 -0.8603 0.8897 0.8897 1.2246 1.2246 6.1190 6.1190 6.2875 6.2875 6.5613 6.5613 7.6224 7.6224 7.6274 7.6274 8.6982 8.6982 9.4182 9.4182 9.5593 9.5593 10.1443 10.1443 14.0367 14.0367 14.0593 14.0593 14.4138 14.4138 15.3752 15.3752 k =-0.5000 0.4986 0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1685 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1317 -6.1317 -5.8518 -5.8518 -5.8325 -5.8325 -0.8605 -0.8605 0.8892 0.8892 1.2248 1.2248 6.1174 6.1174 6.2860 6.2860 6.5600 6.5600 7.6216 7.6216 7.6270 7.6270 8.6972 8.6972 9.4197 9.4197 9.5604 9.5604 10.1452 10.1452 14.0377 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k =-0.5000 0.4986 0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1685 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1317 -6.1317 -5.8518 -5.8518 -5.8325 -5.8325 -0.8605 -0.8605 0.8892 0.8892 1.2248 1.2248 6.1174 6.1174 6.2860 6.2860 6.5600 6.5600 7.6216 7.6216 7.6270 7.6270 8.6972 8.6972 9.4197 9.4197 9.5604 9.5604 10.1452 10.1452 14.0377 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k =-0.4986 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1318 -6.1317 -5.8520 -5.8515 -5.8327 -5.8323 -0.8605 -0.8604 0.8891 0.8893 1.2247 1.2248 6.1175 6.1175 6.2860 6.2861 6.5601 6.5601 7.6214 7.6217 7.6269 7.6272 8.6972 8.6973 9.4193 9.4200 9.5600 9.5608 10.1451 10.1452 14.0376 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k =-0.4986 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1686 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1318 -6.1317 -5.8520 -5.8515 -5.8327 -5.8323 -0.8605 -0.8604 0.8891 0.8893 1.2247 1.2248 6.1175 6.1175 6.2860 6.2861 6.5601 6.5601 7.6214 7.6217 7.6269 7.6272 8.6972 8.6973 9.4193 9.4200 9.5600 9.5608 10.1451 10.1452 14.0376 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k =-0.4986 0.5000 0.0126 ( 2730 PWs) bands (ev): -46.0573 -46.0573 -22.7912 -22.7911 -22.1686 -22.1685 -22.1007 -22.1006 -14.2432 -14.2432 -6.1310 -6.1309 -5.8518 -5.8512 -5.8325 -5.8320 -0.8629 -0.8602 0.8879 0.8881 1.2208 1.2244 6.1171 6.1180 6.2888 6.2891 6.5601 6.5601 7.6220 7.6225 7.6277 7.6282 8.6924 8.6928 9.4205 9.4212 9.5606 9.5615 10.1452 10.1453 14.0379 14.0389 14.0606 14.0609 14.4152 14.4154 15.3802 15.3813 k =-0.4986 0.5000 0.0252 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7913 -22.7911 -22.1685 -22.1685 -22.1010 -22.1008 -14.2429 -14.2429 -6.1285 -6.1284 -5.8510 -5.8503 -5.8318 -5.8313 -0.8675 -0.8621 0.8843 0.8845 1.2125 1.2198 6.1170 6.1186 6.2973 6.2980 6.5600 6.5601 7.6238 7.6247 7.6304 7.6311 8.6784 8.6792 9.4240 9.4248 9.5626 9.5636 10.1455 10.1456 14.0396 14.0416 14.0617 14.0622 14.4163 14.4167 15.3957 15.3978 k =-0.4986 0.5000 0.0378 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7914 -22.7912 -22.1685 -22.1685 -22.1014 -22.1011 -14.2423 -14.2423 -6.1245 -6.1243 -5.8498 -5.8488 -5.8306 -5.8302 -0.8741 -0.8661 0.8782 0.8785 1.2002 1.2110 6.1171 6.1192 6.3115 6.3125 6.5600 6.5600 7.6262 7.6278 7.6354 7.6363 8.6556 8.6567 9.4298 9.4306 9.5659 9.5671 10.1461 10.1462 14.0426 14.0458 14.0639 14.0643 14.4183 14.4187 15.4214 15.4246 k =-0.4986 0.5000 0.0504 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7916 -22.7913 -22.1685 -22.1685 -22.1018 -22.1015 -14.2416 -14.2416 -6.1189 -6.1185 -5.8480 -5.8468 -5.8290 -5.8286 -0.8829 -0.8722 0.8699 0.8702 1.1838 1.1981 6.1173 6.1199 6.3312 6.3327 6.5600 6.5600 7.6293 7.6316 7.6428 7.6438 8.6243 8.6257 9.4378 9.4387 9.5705 9.5720 10.1468 10.1469 14.0466 14.0514 14.0675 14.0678 14.4210 14.4215 15.4571 15.4611 k =-0.4986 0.5000 0.0630 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7918 -22.7914 -22.1685 -22.1684 -22.1024 -22.1020 -14.2407 -14.2407 -6.1117 -6.1112 -5.8456 -5.8442 -5.8270 -5.8265 -0.8936 -0.8804 0.8593 0.8596 1.1636 1.1813 6.1176 6.1204 6.3564 6.3584 6.5599 6.5600 7.6329 7.6360 7.6523 7.6534 8.5852 8.5868 9.4480 9.4489 9.5765 9.5781 10.1478 10.1479 14.0514 14.0579 14.0724 14.0735 14.4244 14.4251 15.5019 15.5067 k =-0.4986 0.5000 0.0756 ( 2736 PWs) bands (ev): -46.0572 -46.0572 -22.7920 -22.7916 -22.1684 -22.1684 -22.1031 -22.1026 -14.2395 -14.2395 -6.1029 -6.1024 -5.8428 -5.8411 -5.8245 -5.8240 -0.9062 -0.8905 0.8465 0.8468 1.1399 1.1607 6.1180 6.1209 6.3867 6.3891 6.5599 6.5600 7.6371 7.6410 7.6637 7.6649 8.5388 8.5406 9.4602 9.4611 9.5838 9.5856 10.1490 10.1491 14.0569 14.0649 14.0796 14.0813 14.4286 14.4294 15.5553 15.5607 k =-0.4986 0.5000 0.0882 ( 2740 PWs) bands (ev): -46.0572 -46.0572 -22.7923 -22.7918 -22.1684 -22.1684 -22.1039 -22.1033 -14.2382 -14.2382 -6.0927 -6.0921 -5.8394 -5.8375 -5.8215 -5.8211 -0.9207 -0.9026 0.8316 0.8319 1.1129 1.1366 6.1183 6.1213 6.4220 6.4246 6.5598 6.5600 7.6418 7.6465 7.6767 7.6780 8.4859 8.4878 9.4744 9.4754 9.5925 9.5944 10.1503 10.1505 14.0634 14.0722 14.0892 14.0913 14.4336 14.4344 15.6163 15.6222 k =-0.4986 0.5000 0.1008 ( 2748 PWs) bands (ev): -46.0572 -46.0572 -22.7926 -22.7920 -22.1683 -22.1683 -22.1049 -22.1042 -14.2367 -14.2367 -6.0810 -6.0803 -5.8355 -5.8334 -5.8182 -5.8178 -0.9369 -0.9166 0.8147 0.8151 1.0829 1.1094 6.1186 6.1216 6.4617 6.4644 6.5598 6.5603 7.6468 7.6525 7.6910 7.6925 8.4274 8.4293 9.4906 9.4917 9.6026 9.6046 10.1519 10.1520 14.0710 14.0803 14.1011 14.1033 14.4392 14.4401 15.6840 15.6903 k =-0.4986 0.5000 0.1134 ( 2756 PWs) bands (ev): -46.0572 -46.0572 -22.7929 -22.7923 -22.1683 -22.1683 -22.1059 -22.1052 -14.2350 -14.2350 -6.0680 -6.0672 -5.8312 -5.8288 -5.8145 -5.8140 -0.9547 -0.9323 0.7960 0.7964 1.0502 1.0792 6.1188 6.1217 6.5056 6.5076 6.5599 6.5611 7.6519 7.6587 7.7064 7.7081 8.3641 8.3659 9.5087 9.5099 9.6142 9.6162 10.1536 10.1538 14.0799 14.0893 14.1151 14.1171 14.4454 14.4464 15.7577 15.7642 k =-0.4986 0.5000 0.1260 ( 2755 PWs) bands (ev): -46.0572 -46.0572 -22.7933 -22.7926 -22.1682 -22.1682 -22.1070 -22.1062 -14.2332 -14.2332 -6.0536 -6.0528 -5.8265 -5.8238 -5.8104 -5.8099 -0.9740 -0.9496 0.7756 0.7761 1.0151 1.0464 6.1189 6.1218 6.5479 6.5517 6.5616 6.5683 7.6569 7.6649 7.7224 7.7244 8.2970 8.2987 9.5286 9.5300 9.6272 9.6293 10.1555 10.1557 14.0904 14.0997 14.1307 14.1326 14.4523 14.4534 15.8362 15.8429 k =-0.4986 0.5000 0.1386 ( 2752 PWs) bands (ev): -46.0571 -46.0571 -22.7936 -22.7929 -22.1681 -22.1681 -22.1081 -22.1073 -14.2312 -14.2312 -6.0380 -6.0371 -5.8213 -5.8184 -5.8059 -5.8055 -0.9947 -0.9685 0.7537 0.7542 0.9780 1.0113 6.1190 6.1217 6.5570 6.5591 6.6051 6.6099 7.6615 7.6708 7.7386 7.7410 8.2274 8.2288 9.5505 9.5520 9.6418 9.6439 10.1576 10.1578 14.1024 14.1116 14.1478 14.1495 14.4597 14.4608 15.9187 15.9256 k =-0.4986 0.5000 0.1512 ( 2742 PWs) bands (ev): -46.0571 -46.0571 -22.7940 -22.7932 -22.1680 -22.1680 -22.1093 -22.1084 -14.2291 -14.2291 -6.0212 -6.0202 -5.8157 -5.8126 -5.8011 -5.8007 -1.0166 -0.9887 0.7304 0.7309 0.9392 0.9743 6.1188 6.1215 6.5580 6.5593 6.6589 6.6622 7.6651 7.6758 7.7541 7.7572 8.1568 8.1578 9.5741 9.5758 9.6579 9.6600 10.1598 10.1601 14.1160 14.1250 14.1664 14.1679 14.4677 14.4688 16.0044 16.0113 k =-0.4986 0.5000 0.1638 ( 2744 PWs) bands (ev): -46.0571 -46.0571 -22.7944 -22.7936 -22.1679 -22.1679 -22.1106 -22.1097 -14.2268 -14.2268 -6.0034 -6.0023 -5.8097 -5.8064 -5.7960 -5.7956 -1.0396 -1.0103 0.7058 0.7064 0.8991 0.9357 6.1185 6.1210 6.5584 6.5594 6.7151 6.7174 7.6668 7.6788 7.7680 7.7719 8.0877 8.0884 9.5995 9.6013 9.6757 9.6778 10.1621 10.1625 14.1311 14.1399 14.1862 14.1876 14.4761 14.4773 16.0921 16.0990 k =-0.4986 0.5000 0.1764 ( 2742 PWs) bands (ev): -46.0570 -46.0570 -22.7948 -22.7940 -22.1678 -22.1678 -22.1119 -22.1110 -14.2244 -14.2244 -5.9846 -5.9835 -5.8035 -5.7999 -5.7907 -5.7902 -1.0635 -1.0329 0.6802 0.6808 0.8579 0.8957 6.1180 6.1204 6.5586 6.5595 6.7733 6.7743 7.6648 7.6776 7.7785 7.7835 8.0233 8.0252 9.6267 9.6286 9.6951 9.6972 10.1646 10.1651 14.1478 14.1562 14.2071 14.2084 14.4850 14.4861 16.1811 16.1880 k =-0.4986 0.5000 0.1890 ( 2742 PWs) bands (ev): -46.0570 -46.0570 -22.7953 -22.7944 -22.1677 -22.1677 -22.1133 -22.1123 -14.2220 -14.2220 -5.9650 -5.9637 -5.7969 -5.7931 -5.7850 -5.7845 -1.0882 -1.0565 0.6537 0.6544 0.8160 0.8548 6.1173 6.1196 6.5587 6.5596 6.8324 6.8329 7.6554 7.6679 7.7836 7.7892 7.9707 7.9748 9.6554 9.6574 9.7162 9.7182 10.1672 10.1677 14.1659 14.1740 14.2291 14.2302 14.4942 14.4954 16.2702 16.2772 k =-0.4986 0.5000 0.2016 ( 2740 PWs) bands (ev): -46.0569 -46.0569 -22.7957 -22.7948 -22.1676 -22.1676 -22.1148 -22.1137 -14.2194 -14.2194 -5.9446 -5.9433 -5.7902 -5.7861 -5.7791 -5.7786 -1.1135 -1.0809 0.6265 0.6273 0.7737 0.8131 6.1163 6.1184 6.5589 6.5597 6.8912 6.8934 7.6328 7.6429 7.7826 7.7877 7.9384 7.9444 9.6857 9.6878 9.7389 9.7409 10.1699 10.1705 14.1853 14.1931 14.2520 14.2531 14.5037 14.5049 16.3587 16.3657 k =-0.4986 0.5000 0.2142 ( 2736 PWs) bands (ev): -46.0569 -46.0569 -22.7962 -22.7953 -22.1675 -22.1675 -22.1162 -22.1152 -14.2168 -14.2168 -5.9236 -5.9222 -5.7832 -5.7789 -5.7730 -5.7725 -1.1393 -1.1059 0.5988 0.5996 0.7312 0.7711 6.1149 6.1169 6.5591 6.5598 6.9501 6.9542 7.5920 7.5982 7.7781 7.7848 7.9277 7.9341 9.7173 9.7195 9.7632 9.7652 10.1726 10.1734 14.2059 14.2133 14.2758 14.2767 14.5134 14.5147 16.4453 16.4526 k =-0.4986 0.5000 0.2268 ( 2736 PWs) bands (ev): -46.0569 -46.0569 -22.7966 -22.7957 -22.1674 -22.1674 -22.1177 -22.1167 -14.2141 -14.2141 -5.9021 -5.9006 -5.7761 -5.7715 -5.7667 -5.7661 -1.1654 -1.1315 0.5707 0.5716 0.6889 0.7289 6.1130 6.1149 6.5593 6.5600 7.0085 7.0149 7.5347 7.5380 7.7750 7.7863 7.9308 7.9367 9.7502 9.7525 9.7891 9.7911 10.1755 10.1763 14.2276 14.2347 14.3002 14.3010 14.5234 14.5246 16.5290 16.5367 k =-0.4986 0.5000 0.2394 ( 2736 PWs) bands (ev): -46.0568 -46.0568 -22.7971 -22.7962 -22.1673 -22.1672 -22.1193 -22.1182 -14.2114 -14.2114 -5.8802 -5.8786 -5.7689 -5.7641 -5.7602 -5.7596 -1.1916 -1.1574 0.5424 0.5435 0.6469 0.6869 6.1107 6.1125 6.5595 6.5602 7.0658 7.0749 7.4676 7.4692 7.7757 7.7913 7.9402 7.9454 9.7842 9.7865 9.8164 9.8185 10.1783 10.1793 14.2501 14.2569 14.3251 14.3259 14.5334 14.5347 16.6087 16.6169 k =-0.4986 0.5000 0.2520 ( 2732 PWs) bands (ev): -46.0568 -46.0568 -22.7976 -22.7967 -22.1671 -22.1671 -22.1207 -22.1196 -14.2087 -14.2086 -5.8581 -5.8563 -5.7616 -5.7567 -5.7535 -5.7529 -1.2177 -1.1835 0.5141 0.5153 0.6057 0.6452 6.1078 6.1095 6.5598 6.5604 7.1213 7.1332 7.3961 7.3968 7.7793 7.7989 7.9523 7.9570 9.8191 9.8214 9.8450 9.8473 10.1812 10.1824 14.2735 14.2800 14.3505 14.3513 14.5435 14.5449 16.6832 16.6922 k =-0.4986 0.5000 0.2646 ( 2734 PWs) bands (ev): -46.0567 -46.0567 -22.7981 -22.7972 -22.1671 -22.1670 -22.1223 -22.1211 -14.2059 -14.2059 -5.8360 -5.8340 -5.7545 -5.7494 -5.7465 -5.7460 -1.2437 -1.2096 0.4859 0.4873 0.5652 0.6041 6.1043 6.1058 6.5601 6.5606 7.1731 7.1882 7.3248 7.3253 7.7852 7.8082 7.9651 7.9694 9.8546 9.8569 9.8748 9.8772 10.1842 10.1855 14.2974 14.3036 14.3762 14.3769 14.5536 14.5550 16.7513 16.7614 k =-0.4986 0.5000 0.2772 ( 2738 PWs) bands (ev): -46.0567 -46.0567 -22.7986 -22.7977 -22.1670 -22.1670 -22.1237 -22.1226 -14.2032 -14.2032 -5.8141 -5.8118 -5.7474 -5.7423 -5.7393 -5.7389 -1.2694 -1.2355 0.4580 0.4596 0.5259 0.5639 6.1000 6.1014 6.5603 6.5609 7.2070 7.2207 7.2699 7.2741 7.7928 7.8191 7.9780 7.9821 9.8906 9.8928 9.9056 9.9082 10.1871 10.1887 14.3219 14.3277 14.4021 14.4027 14.5637 14.5651 16.8118 16.8234 k =-0.4986 0.5000 0.2898 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.7991 -22.7982 -22.1669 -22.1669 -22.1252 -22.1241 -14.2005 -14.2005 -5.7925 -5.7898 -5.7404 -5.7351 -5.7321 -5.7316 -1.2945 -1.2612 0.4304 0.4324 0.4880 0.5247 6.0948 6.0961 6.5606 6.5611 7.1647 7.1686 7.2898 7.3070 7.8021 7.8313 7.9905 7.9943 9.9266 9.9290 9.9372 9.9401 10.1900 10.1918 14.3465 14.3521 14.4280 14.4286 14.5736 14.5750 16.8637 16.8773 k =-0.4986 0.5000 0.3024 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.7996 -22.7987 -22.1668 -22.1668 -22.1266 -22.1256 -14.1978 -14.1978 -5.7717 -5.7684 -5.7335 -5.7277 -5.7248 -5.7241 -1.3190 -1.2864 0.4034 0.4058 0.4516 0.4868 6.0887 6.0900 6.5609 6.5614 7.0993 7.1018 7.3322 7.3538 7.8130 7.8449 8.0022 8.0059 9.9626 9.9649 9.9693 9.9726 10.1929 10.1950 14.3713 14.3767 14.4537 14.4543 14.5833 14.5848 16.9066 16.9226 k =-0.4986 0.5000 0.3150 ( 2742 PWs) bands (ev): -46.0566 -46.0566 -22.8000 -22.7992 -22.1667 -22.1667 -22.1281 -22.1270 -14.1953 -14.1952 -5.7523 -5.7481 -5.7266 -5.7194 -5.7174 -5.7163 -1.3426 -1.3110 0.3770 0.3800 0.4169 0.4502 6.0816 6.0828 6.5613 6.5617 7.0346 7.0366 7.3736 7.3982 7.8258 7.8599 8.0131 8.0168 9.9979 9.9998 10.0023 10.0057 10.1957 10.1983 14.3960 14.4012 14.4792 14.4798 14.5927 14.5943 16.9403 16.9590 k =-0.4986 0.5000 0.3276 ( 2750 PWs) bands (ev): -46.0565 -46.0565 -22.8005 -22.7997 -22.1666 -22.1666 -22.1294 -22.1284 -14.1927 -14.1927 -5.7359 -5.7306 -5.7188 -5.7105 -5.7090 -5.7074 -1.3654 -1.3349 0.3512 0.3551 0.3843 0.4153 6.0735 6.0745 6.5616 6.5620 6.9731 6.9750 7.4118 7.4387 7.8406 7.8763 8.0232 8.0267 10.0323 10.0326 10.0367 10.0390 10.1986 10.2016 14.4205 14.4255 14.5042 14.5048 14.6018 14.6035 16.9655 16.9869 k =-0.4986 0.5000 0.3402 ( 2752 PWs) bands (ev): -46.0565 -46.0565 -22.8009 -22.8001 -22.1665 -22.1665 -22.1307 -22.1298 -14.1903 -14.1903 -5.7236 -5.7192 -5.7092 -5.7034 -5.6962 -5.6947 -1.3871 -1.3579 0.3261 0.3311 0.3541 0.3821 6.0642 6.0651 6.5619 6.5623 6.9158 6.9174 7.4461 7.4745 7.8575 7.8939 8.0323 8.0358 10.0643 10.0656 10.0708 10.0722 10.2014 10.2051 14.4445 14.4494 14.5287 14.5292 14.6106 14.6123 16.9830 17.0074 k =-0.4986 0.5000 0.3528 ( 2758 PWs) bands (ev): -46.0565 -46.0565 -22.8014 -22.8006 -22.1665 -22.1665 -22.1320 -22.1311 -14.1880 -14.1880 -5.7150 -5.7122 -5.7007 -5.6968 -5.6800 -5.6787 -1.4076 -1.3799 0.3015 0.3083 0.3264 0.3509 6.0539 6.0546 6.5622 6.5626 6.8630 6.8645 7.4764 7.5054 7.8764 7.9126 8.0405 8.0441 10.0948 10.0976 10.1037 10.1047 10.2043 10.2089 14.4679 14.4726 14.5523 14.5528 14.6189 14.6207 16.9942 17.0213 k =-0.4986 0.5000 0.3654 ( 2760 PWs) bands (ev): -46.0564 -46.0564 -22.8017 -22.8010 -22.1664 -22.1664 -22.1331 -22.1322 -14.1859 -14.1859 -5.7082 -5.7064 -5.6937 -5.6905 -5.6629 -5.6620 -1.4267 -1.4007 0.2777 0.2866 0.3015 0.3218 6.0425 6.0432 6.5625 6.5628 6.8151 6.8165 7.5027 7.5315 7.8969 7.9321 8.0478 8.0514 10.1238 10.1284 10.1351 10.1357 10.2075 10.2133 14.4905 14.4951 14.5751 14.5755 14.6268 14.6287 17.0004 17.0301 k =-0.4986 0.5000 0.3780 ( 2754 PWs) bands (ev): -46.0564 -46.0564 -22.8021 -22.8014 -22.1663 -22.1663 -22.1341 -22.1333 -14.1838 -14.1838 -5.7025 -5.7013 -5.6873 -5.6846 -5.6461 -5.6455 -1.4445 -1.4203 0.2549 0.2661 0.2792 0.2951 6.0304 6.0309 6.5628 6.5631 6.7722 6.7734 7.5253 7.5529 7.9188 7.9518 8.0542 8.0580 10.1503 10.1578 10.1641 10.1646 10.2115 10.2191 14.5121 14.5166 14.5966 14.5970 14.6342 14.6362 17.0030 17.0349 k =-0.4986 0.5000 0.3906 ( 2750 PWs) bands (ev): -46.0564 -46.0564 -22.8024 -22.8018 -22.1662 -22.1662 -22.1351 -22.1343 -14.1819 -14.1819 -5.6975 -5.6966 -5.6816 -5.6792 -5.6304 -5.6300 -1.4607 -1.4385 0.2335 0.2466 0.2594 0.2710 6.0176 6.0181 6.5631 6.5634 6.7344 6.7355 7.5444 7.5702 7.9412 7.9714 8.0598 8.0637 10.1726 10.1854 10.1875 10.1917 10.2185 10.2277 14.5326 14.5369 14.6168 14.6171 14.6411 14.6433 17.0032 17.0366 k =-0.4986 0.5000 0.4032 ( 2756 PWs) bands (ev): -46.0563 -46.0563 -22.8027 -22.8021 -22.1662 -22.1662 -22.1360 -22.1353 -14.1802 -14.1802 -5.6930 -5.6924 -5.6763 -5.6742 -5.6158 -5.6156 -1.4754 -1.4553 0.2138 0.2282 0.2418 0.2498 6.0046 6.0050 6.5633 6.5636 6.7015 6.7024 7.5604 7.5839 7.9634 7.9903 8.0647 8.0687 10.1886 10.2010 10.2110 10.2163 10.2331 10.2408 14.5516 14.5558 14.6349 14.6353 14.6479 14.6502 17.0020 17.0356 k =-0.4986 0.5000 0.4158 ( 2756 PWs) bands (ev): -46.0563 -46.0563 -22.8029 -22.8024 -22.1661 -22.1661 -22.1367 -22.1361 -14.1787 -14.1787 -5.6891 -5.6886 -5.6716 -5.6697 -5.6027 -5.6026 -1.4883 -1.4704 0.1963 0.2108 0.2263 0.2316 5.9918 5.9920 6.5636 6.5638 6.6735 6.6742 7.5737 7.5946 7.9849 8.0080 8.0688 8.0730 10.1983 10.2067 10.2344 10.2385 10.2529 10.2577 14.5690 14.5732 14.6484 14.6494 14.6571 14.6587 17.0004 17.0314 k =-0.4986 0.5000 0.4284 ( 2758 PWs) bands (ev): -46.0563 -46.0563 -22.8032 -22.8027 -22.1661 -22.1661 -22.1374 -22.1369 -14.1773 -14.1773 -5.6857 -5.6853 -5.6674 -5.6658 -5.5911 -5.5910 -1.4995 -1.4839 0.1810 0.1947 0.2129 0.2164 5.9794 5.9796 6.5638 6.5640 6.6499 6.6506 7.5847 7.6027 8.0049 8.0240 8.0722 8.0767 10.2040 10.2096 10.2553 10.2584 10.2726 10.2756 14.5847 14.5887 14.6551 14.6570 14.6705 14.6713 16.9991 17.0212 k =-0.4986 0.5000 0.4410 ( 2764 PWs) bands (ev): -46.0563 -46.0563 -22.8034 -22.8030 -22.1661 -22.1660 -22.1380 -22.1376 -14.1762 -14.1762 -5.6828 -5.6825 -5.6638 -5.6624 -5.5811 -5.5810 -1.5088 -1.4957 0.1682 0.1803 0.2015 0.2038 5.9681 5.9682 6.5640 6.5641 6.6307 6.6312 7.5937 7.6087 8.0230 8.0379 8.0750 8.0798 10.2076 10.2115 10.2734 10.2757 10.2902 10.2922 14.5985 14.6022 14.6595 14.6616 14.6834 14.6840 16.9986 17.0028 k =-0.4986 0.5000 0.4536 ( 2768 PWs) bands (ev): -46.0563 -46.0563 -22.8035 -22.8032 -22.1660 -22.1660 -22.1385 -22.1382 -14.1752 -14.1752 -5.6804 -5.6802 -5.6608 -5.6597 -5.5728 -5.5728 -1.5163 -1.5057 0.1578 0.1679 0.1921 0.1938 5.9581 5.9582 6.5641 6.5643 6.6154 6.6158 7.6010 7.6130 8.0386 8.0494 8.0772 8.0822 10.2101 10.2128 10.2886 10.2903 10.3050 10.3065 14.6102 14.6136 14.6629 14.6650 14.6945 14.6949 16.9797 16.9933 k =-0.4986 0.5000 0.4663 ( 2776 PWs) bands (ev): -46.0563 -46.0563 -22.8037 -22.8035 -22.1660 -22.1660 -22.1389 -22.1387 -14.1744 -14.1744 -5.6785 -5.6784 -5.6584 -5.6576 -5.5663 -5.5662 -1.5218 -1.5138 0.1500 0.1578 0.1848 0.1860 5.9500 5.9500 6.5643 6.5644 6.6038 6.6041 7.6067 7.6157 8.0515 8.0583 8.0789 8.0839 10.2119 10.2137 10.3006 10.3019 10.3169 10.3179 14.6197 14.6225 14.6655 14.6674 14.7034 14.7037 16.9595 16.9675 k =-0.4986 0.5000 0.4789 ( 2784 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8036 -22.1660 -22.1660 -22.1392 -22.1390 -14.1739 -14.1739 -5.6772 -5.6771 -5.6567 -5.6561 -5.5616 -5.5616 -1.5254 -1.5201 0.1447 0.1500 0.1796 0.1805 5.9439 5.9439 6.5644 6.5644 6.5957 6.5959 7.6111 7.6171 8.0613 8.0647 8.0803 8.0847 10.2131 10.2143 10.3093 10.3102 10.3254 10.3262 14.6268 14.6289 14.6674 14.6689 14.7098 14.7100 16.9443 16.9492 k =-0.4986 0.5000 0.4915 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8038 -22.1660 -22.1660 -22.1394 -22.1393 -14.1736 -14.1736 -5.6764 -5.6763 -5.6555 -5.6552 -5.5588 -5.5587 -1.5271 -1.5243 0.1421 0.1448 0.1764 0.1773 5.9402 5.9402 6.5644 6.5645 6.5910 6.5911 7.6143 7.6173 8.0674 8.0685 8.0816 8.0845 10.2140 10.2145 10.3145 10.3153 10.3306 10.3313 14.6314 14.6325 14.6687 14.6695 14.7138 14.7138 16.9351 16.9380 k =-0.4986 0.5000 0.5041 ( 2796 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8038 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6551 -5.6550 -5.5578 -5.5578 -1.5269 -1.5264 0.1420 0.1423 0.1754 0.1762 5.9389 5.9389 6.5644 6.5645 6.5894 6.5894 7.6161 7.6166 8.0696 8.0697 8.0829 8.0836 10.2144 10.2144 10.3163 10.3169 10.3323 10.3330 14.6333 14.6334 14.6694 14.6695 14.7151 14.7151 16.9321 16.9342 k =-0.4986 0.5000 0.5041 ( 2796 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8038 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6551 -5.6550 -5.5578 -5.5578 -1.5269 -1.5264 0.1420 0.1423 0.1754 0.1762 5.9389 5.9389 6.5644 6.5645 6.5894 6.5894 7.6161 7.6166 8.0696 8.0697 8.0829 8.0836 10.2144 10.2144 10.3163 10.3169 10.3323 10.3330 14.6333 14.6334 14.6694 14.6695 14.7151 14.7151 16.9321 16.9342 k =-0.5000 0.4986 0.5041 ( 2800 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8039 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6550 -5.6550 -5.5578 -5.5578 -1.5267 -1.5267 0.1421 0.1421 0.1757 0.1757 5.9389 5.9389 6.5644 6.5644 6.5894 6.5894 7.6164 7.6164 8.0697 8.0697 8.0833 8.0833 10.2145 10.2145 10.3166 10.3166 10.3327 10.3327 14.6334 14.6334 14.6695 14.6695 14.7151 14.7151 16.9332 16.9332 k =-0.5000 0.4986 0.5041 ( 2800 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8039 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6550 -5.6550 -5.5578 -5.5578 -1.5267 -1.5267 0.1421 0.1421 0.1757 0.1757 5.9389 5.9389 6.5644 6.5644 6.5894 6.5894 7.6164 7.6164 8.0697 8.0697 8.0833 8.0833 10.2145 10.2145 10.3166 10.3166 10.3327 10.3327 14.6334 14.6334 14.6695 14.6695 14.7151 14.7151 16.9332 16.9332 k =-0.5000 0.4986 0.4915 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8038 -22.1660 -22.1660 -22.1394 -22.1393 -14.1736 -14.1736 -5.6763 -5.6763 -5.6555 -5.6552 -5.5588 -5.5588 -1.5271 -1.5244 0.1421 0.1448 0.1767 0.1769 5.9401 5.9401 6.5644 6.5644 6.5910 6.5910 7.6143 7.6173 8.0674 8.0685 8.0817 8.0845 10.2140 10.2146 10.3147 10.3151 10.3309 10.3311 14.6314 14.6325 14.6688 14.6696 14.7138 14.7139 16.9356 16.9376 k =-0.5000 0.4986 0.4789 ( 2784 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8036 -22.1660 -22.1660 -22.1392 -22.1390 -14.1739 -14.1739 -5.6772 -5.6771 -5.6566 -5.6561 -5.5616 -5.5616 -1.5254 -1.5201 0.1447 0.1500 0.1798 0.1803 5.9439 5.9439 6.5643 6.5644 6.5957 6.5959 7.6112 7.6171 8.0613 8.0647 8.0803 8.0847 10.2132 10.2143 10.3094 10.3101 10.3256 10.3261 14.6268 14.6289 14.6674 14.6689 14.7098 14.7100 16.9446 16.9489 k =-0.5000 0.4986 0.4663 ( 2776 PWs) bands (ev): -46.0563 -46.0563 -22.8037 -22.8035 -22.1660 -22.1660 -22.1389 -22.1387 -14.1744 -14.1744 -5.6785 -5.6784 -5.6584 -5.6576 -5.5663 -5.5663 -1.5218 -1.5139 0.1499 0.1577 0.1850 0.1858 5.9499 5.9500 6.5642 6.5643 6.6038 6.6041 7.6067 7.6157 8.0516 8.0584 8.0789 8.0839 10.2119 10.2138 10.3007 10.3018 10.3170 10.3178 14.6197 14.6225 14.6655 14.6674 14.7034 14.7037 16.9597 16.9671 k =-0.5000 0.4986 0.4536 ( 2768 PWs) bands (ev): -46.0563 -46.0563 -22.8035 -22.8032 -22.1660 -22.1660 -22.1385 -22.1382 -14.1752 -14.1752 -5.6804 -5.6802 -5.6608 -5.6597 -5.5728 -5.5728 -1.5163 -1.5057 0.1578 0.1679 0.1922 0.1936 5.9581 5.9582 6.5641 6.5642 6.6154 6.6158 7.6010 7.6130 8.0387 8.0494 8.0772 8.0822 10.2101 10.2129 10.2887 10.2903 10.3052 10.3064 14.6102 14.6136 14.6629 14.6650 14.6946 14.6949 16.9799 16.9920 k =-0.5000 0.4986 0.4410 ( 2764 PWs) bands (ev): -46.0563 -46.0563 -22.8034 -22.8030 -22.1660 -22.1660 -22.1380 -22.1376 -14.1762 -14.1762 -5.6828 -5.6825 -5.6638 -5.6624 -5.5811 -5.5810 -1.5088 -1.4957 0.1681 0.1803 0.2016 0.2036 5.9680 5.9682 6.5639 6.5641 6.6307 6.6312 7.5937 7.6087 8.0230 8.0379 8.0750 8.0798 10.2076 10.2115 10.2735 10.2757 10.2903 10.2921 14.5985 14.6022 14.6595 14.6616 14.6835 14.6840 16.9989 17.0025 k =-0.5000 0.4986 0.4284 ( 2760 PWs) bands (ev): -46.0563 -46.0563 -22.8032 -22.8028 -22.1661 -22.1661 -22.1374 -22.1369 -14.1773 -14.1773 -5.6857 -5.6853 -5.6674 -5.6658 -5.5911 -5.5910 -1.4995 -1.4840 0.1810 0.1947 0.2130 0.2162 5.9794 5.9796 6.5638 6.5640 6.6499 6.6506 7.5847 7.6027 8.0049 8.0240 8.0722 8.0767 10.2040 10.2096 10.2554 10.2583 10.2727 10.2756 14.5848 14.5887 14.6551 14.6570 14.6705 14.6713 16.9991 17.0211 k =-0.5000 0.4986 0.4158 ( 2756 PWs) bands (ev): -46.0563 -46.0563 -22.8029 -22.8025 -22.1661 -22.1661 -22.1367 -22.1361 -14.1787 -14.1787 -5.6891 -5.6886 -5.6716 -5.6697 -5.6027 -5.6026 -1.4883 -1.4704 0.1963 0.2108 0.2264 0.2314 5.9917 5.9920 6.5635 6.5638 6.6735 6.6742 7.5737 7.5946 7.9849 8.0080 8.0688 8.0730 10.1983 10.2067 10.2345 10.2385 10.2530 10.2577 14.5691 14.5732 14.6484 14.6495 14.6571 14.6587 17.0003 17.0313 k =-0.5000 0.4986 0.4032 ( 2756 PWs) bands (ev): -46.0563 -46.0563 -22.8027 -22.8021 -22.1662 -22.1662 -22.1360 -22.1353 -14.1802 -14.1802 -5.6930 -5.6924 -5.6763 -5.6742 -5.6159 -5.6156 -1.4754 -1.4553 0.2139 0.2281 0.2419 0.2497 6.0046 6.0050 6.5633 6.5636 6.7015 6.7024 7.5604 7.5839 7.9635 7.9903 8.0647 8.0687 10.1887 10.2011 10.2111 10.2163 10.2332 10.2408 14.5516 14.5559 14.6349 14.6353 14.6479 14.6502 17.0019 17.0355 k =-0.5000 0.4986 0.3906 ( 2748 PWs) bands (ev): -46.0564 -46.0564 -22.8024 -22.8017 -22.1662 -22.1662 -22.1350 -22.1343 -14.1819 -14.1819 -5.6975 -5.6966 -5.6815 -5.6791 -5.6304 -5.6300 -1.4607 -1.4385 0.2335 0.2465 0.2595 0.2709 6.0176 6.0181 6.5630 6.5633 6.7344 6.7354 7.5444 7.5702 7.9412 7.9715 8.0598 8.0637 10.1727 10.1854 10.1876 10.1917 10.2186 10.2277 14.5326 14.5369 14.6168 14.6172 14.6411 14.6433 17.0031 17.0365 k =-0.5000 0.4986 0.3780 ( 2756 PWs) bands (ev): -46.0564 -46.0564 -22.8021 -22.8014 -22.1663 -22.1663 -22.1341 -22.1333 -14.1838 -14.1838 -5.7025 -5.7013 -5.6873 -5.6846 -5.6462 -5.6456 -1.4445 -1.4203 0.2549 0.2659 0.2793 0.2950 6.0304 6.0309 6.5628 6.5631 6.7722 6.7734 7.5253 7.5529 7.9188 7.9519 8.0542 8.0580 10.1504 10.1578 10.1642 10.1646 10.2115 10.2191 14.5122 14.5166 14.5967 14.5971 14.6342 14.6362 17.0029 17.0348 k =-0.5000 0.4986 0.3654 ( 2760 PWs) bands (ev): -46.0564 -46.0564 -22.8018 -22.8010 -22.1664 -22.1664 -22.1331 -22.1322 -14.1859 -14.1859 -5.7082 -5.7064 -5.6936 -5.6905 -5.6629 -5.6620 -1.4268 -1.4008 0.2778 0.2865 0.3015 0.3217 6.0425 6.0432 6.5625 6.5628 6.8151 6.8164 7.5027 7.5315 7.8970 7.9321 8.0478 8.0514 10.1239 10.1284 10.1352 10.1357 10.2075 10.2134 14.4906 14.4951 14.5751 14.5755 14.6268 14.6287 17.0003 17.0300 k =-0.5000 0.4986 0.3528 ( 2760 PWs) bands (ev): -46.0565 -46.0565 -22.8014 -22.8006 -22.1665 -22.1665 -22.1320 -22.1311 -14.1880 -14.1880 -5.7149 -5.7121 -5.7006 -5.6967 -5.6801 -5.6789 -1.4076 -1.3799 0.3016 0.3082 0.3264 0.3508 6.0538 6.0546 6.5622 6.5625 6.8630 6.8645 7.4764 7.5055 7.8764 7.9126 8.0405 8.0441 10.0949 10.0977 10.1038 10.1047 10.2044 10.2089 14.4680 14.4727 14.5524 14.5529 14.6190 14.6208 16.9941 17.0213 k =-0.5000 0.4986 0.3402 ( 2752 PWs) bands (ev): -46.0565 -46.0565 -22.8009 -22.8001 -22.1665 -22.1665 -22.1307 -22.1298 -14.1903 -14.1903 -5.7236 -5.7191 -5.7090 -5.7033 -5.6962 -5.6951 -1.3871 -1.3579 0.3262 0.3310 0.3541 0.3820 6.0642 6.0651 6.5619 6.5623 6.9158 6.9174 7.4461 7.4745 7.8575 7.8939 8.0323 8.0358 10.0643 10.0656 10.0708 10.0722 10.2014 10.2052 14.4445 14.4494 14.5287 14.5292 14.6106 14.6123 16.9829 17.0073 k =-0.5000 0.4986 0.3276 ( 2752 PWs) bands (ev): -46.0565 -46.0565 -22.8005 -22.7997 -22.1666 -22.1666 -22.1294 -22.1285 -14.1927 -14.1927 -5.7358 -5.7304 -5.7187 -5.7102 -5.7088 -5.7082 -1.3654 -1.3349 0.3514 0.3549 0.3843 0.4152 6.0734 6.0744 6.5615 6.5620 6.9732 6.9750 7.4118 7.4387 7.8406 7.8763 8.0232 8.0267 10.0324 10.0327 10.0367 10.0390 10.1986 10.2017 14.4205 14.4255 14.5042 14.5048 14.6019 14.6035 16.9654 16.9869 k =-0.5000 0.4986 0.3150 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.8000 -22.7991 -22.1667 -22.1667 -22.1280 -22.1270 -14.1953 -14.1952 -5.7523 -5.7480 -5.7266 -5.7192 -5.7173 -5.7168 -1.3427 -1.3110 0.3772 0.3799 0.4169 0.4501 6.0816 6.0827 6.5612 6.5617 7.0346 7.0366 7.3737 7.3982 7.8258 7.8599 8.0131 8.0167 9.9979 9.9999 10.0024 10.0057 10.1958 10.1983 14.3961 14.4012 14.4792 14.4798 14.5928 14.5943 16.9403 16.9589 k =-0.5000 0.4986 0.3024 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.7996 -22.7987 -22.1668 -22.1668 -22.1266 -22.1256 -14.1978 -14.1978 -5.7716 -5.7683 -5.7335 -5.7276 -5.7246 -5.7245 -1.3190 -1.2864 0.4036 0.4057 0.4515 0.4867 6.0887 6.0899 6.5609 6.5614 7.0993 7.1018 7.3322 7.3538 7.8130 7.8449 8.0022 8.0059 9.9626 9.9649 9.9694 9.9726 10.1929 10.1951 14.3713 14.3767 14.4537 14.4543 14.5833 14.5848 16.9065 16.9225 k =-0.5000 0.4986 0.2898 ( 2740 PWs) bands (ev): -46.0566 -46.0566 -22.7991 -22.7982 -22.1669 -22.1669 -22.1252 -22.1241 -14.2005 -14.2005 -5.7924 -5.7898 -5.7404 -5.7350 -5.7320 -5.7319 -1.2945 -1.2612 0.4306 0.4322 0.4879 0.5246 6.0948 6.0961 6.5606 6.5611 7.1647 7.1686 7.2898 7.3070 7.8021 7.8313 7.9905 7.9943 9.9267 9.9290 9.9372 9.9401 10.1900 10.1919 14.3466 14.3522 14.4280 14.4286 14.5736 14.5750 16.8637 16.8773 k =-0.5000 0.4986 0.2772 ( 2740 PWs) bands (ev): -46.0567 -46.0567 -22.7986 -22.7977 -22.1670 -22.1670 -22.1237 -22.1226 -14.2032 -14.2032 -5.8140 -5.8117 -5.7474 -5.7422 -5.7393 -5.7391 -1.2694 -1.2356 0.4581 0.4594 0.5259 0.5638 6.0999 6.1014 6.5603 6.5608 7.2071 7.2207 7.2699 7.2741 7.7928 7.8191 7.9781 7.9820 9.8906 9.8929 9.9056 9.9082 10.1871 10.1887 14.3219 14.3278 14.4021 14.4028 14.5637 14.5651 16.8117 16.8234 k =-0.5000 0.4986 0.2646 ( 2732 PWs) bands (ev): -46.0567 -46.0567 -22.7981 -22.7971 -22.1670 -22.1670 -22.1222 -22.1211 -14.2059 -14.2059 -5.8360 -5.8340 -5.7545 -5.7494 -5.7466 -5.7461 -1.2437 -1.2096 0.4860 0.4871 0.5652 0.6041 6.1042 6.1058 6.5600 6.5606 7.1731 7.1882 7.3248 7.3253 7.7852 7.8082 7.9652 7.9694 9.8546 9.8569 9.8749 9.8773 10.1842 10.1856 14.2975 14.3036 14.3763 14.3770 14.5537 14.5550 16.7513 16.7614 k =-0.5000 0.4986 0.2520 ( 2732 PWs) bands (ev): -46.0568 -46.0568 -22.7976 -22.7967 -22.1671 -22.1671 -22.1207 -22.1196 -14.2086 -14.2086 -5.8581 -5.8563 -5.7616 -5.7567 -5.7535 -5.7530 -1.2178 -1.1835 0.5142 0.5152 0.6056 0.6451 6.1078 6.1095 6.5598 6.5604 7.1213 7.1332 7.3961 7.3968 7.7793 7.7988 7.9524 7.9568 9.8191 9.8214 9.8451 9.8473 10.1813 10.1824 14.2735 14.2800 14.3506 14.3513 14.5436 14.5449 16.6832 16.6922 k =-0.5000 0.4986 0.2394 ( 2736 PWs) bands (ev): -46.0568 -46.0568 -22.7971 -22.7962 -22.1673 -22.1672 -22.1193 -22.1182 -14.2114 -14.2114 -5.8802 -5.8785 -5.7689 -5.7641 -5.7603 -5.7597 -1.1916 -1.1574 0.5425 0.5433 0.6469 0.6868 6.1107 6.1125 6.5595 6.5601 7.0659 7.0749 7.4677 7.4691 7.7757 7.7912 7.9404 7.9453 9.7842 9.7865 9.8164 9.8185 10.1784 10.1794 14.2502 14.2569 14.3252 14.3260 14.5334 14.5347 16.6087 16.6169 k =-0.5000 0.4986 0.2268 ( 2736 PWs) bands (ev): -46.0569 -46.0569 -22.7966 -22.7957 -22.1674 -22.1674 -22.1178 -22.1167 -14.2141 -14.2141 -5.9020 -5.9005 -5.7761 -5.7715 -5.7667 -5.7662 -1.1654 -1.1315 0.5708 0.5715 0.6888 0.7289 6.1130 6.1149 6.5593 6.5599 7.0085 7.0149 7.5349 7.5379 7.7752 7.7860 7.9310 7.9364 9.7503 9.7525 9.7891 9.7911 10.1755 10.1764 14.2276 14.2347 14.3002 14.3011 14.5234 14.5247 16.5290 16.5366 k =-0.5000 0.4986 0.2142 ( 2736 PWs) bands (ev): -46.0569 -46.0569 -22.7962 -22.7953 -22.1675 -22.1675 -22.1162 -22.1152 -14.2168 -14.2168 -5.9235 -5.9221 -5.7832 -5.7789 -5.7730 -5.7726 -1.1393 -1.1059 0.5989 0.5995 0.7312 0.7710 6.1148 6.1168 6.5591 6.5598 6.9500 6.9542 7.5922 7.5981 7.7789 7.7840 7.9280 7.9338 9.7174 9.7195 9.7632 9.7652 10.1727 10.1734 14.2059 14.2134 14.2758 14.2767 14.5135 14.5147 16.4453 16.4526 k =-0.5000 0.4986 0.2016 ( 2740 PWs) bands (ev): -46.0569 -46.0569 -22.7957 -22.7948 -22.1676 -22.1676 -22.1148 -22.1137 -14.2194 -14.2194 -5.9446 -5.9432 -5.7902 -5.7861 -5.7791 -5.7787 -1.1135 -1.0809 0.6266 0.6272 0.7736 0.8131 6.1162 6.1184 6.5589 6.5596 6.8912 6.8934 7.6330 7.6427 7.7849 7.7853 7.9387 7.9441 9.6857 9.6878 9.7389 9.7409 10.1699 10.1705 14.1853 14.1931 14.2521 14.2531 14.5037 14.5049 16.3586 16.3657 k =-0.5000 0.4986 0.1890 ( 2740 PWs) bands (ev): -46.0570 -46.0570 -22.7952 -22.7944 -22.1677 -22.1677 -22.1133 -22.1123 -14.2220 -14.2220 -5.9649 -5.9637 -5.7969 -5.7931 -5.7849 -5.7846 -1.0882 -1.0565 0.6538 0.6543 0.8160 0.8547 6.1173 6.1195 6.5587 6.5595 6.8324 6.8329 7.6556 7.6678 7.7849 7.7879 7.9710 7.9745 9.6554 9.6574 9.7162 9.7182 10.1672 10.1678 14.1659 14.1740 14.2292 14.2303 14.4942 14.4954 16.2702 16.2772 k =-0.5000 0.4986 0.1764 ( 2744 PWs) bands (ev): -46.0570 -46.0570 -22.7948 -22.7940 -22.1678 -22.1678 -22.1119 -22.1110 -14.2244 -14.2244 -5.9846 -5.9834 -5.8035 -5.7999 -5.7906 -5.7903 -1.0635 -1.0329 0.6803 0.6807 0.8579 0.8957 6.1180 6.1204 6.5586 6.5594 6.7733 6.7743 7.6649 7.6775 7.7795 7.7825 8.0235 8.0250 9.6267 9.6285 9.6952 9.6971 10.1646 10.1651 14.1478 14.1563 14.2072 14.2084 14.4850 14.4862 16.1811 16.1880 k =-0.5000 0.4986 0.1638 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7944 -22.7936 -22.1679 -22.1679 -22.1106 -22.1096 -14.2268 -14.2268 -6.0034 -6.0023 -5.8097 -5.8064 -5.7959 -5.7957 -1.0396 -1.0103 0.7059 0.7063 0.8991 0.9356 6.1185 6.1210 6.5583 6.5594 6.7151 6.7173 7.6669 7.6786 7.7687 7.7712 8.0880 8.0880 9.5996 9.6013 9.6758 9.6777 10.1622 10.1626 14.1311 14.1399 14.1862 14.1876 14.4761 14.4773 16.0921 16.0990 k =-0.5000 0.4986 0.1512 ( 2740 PWs) bands (ev): -46.0571 -46.0571 -22.7940 -22.7932 -22.1680 -22.1680 -22.1093 -22.1084 -14.2291 -14.2291 -6.0212 -6.0202 -5.8157 -5.8126 -5.8010 -5.8008 -1.0166 -0.9887 0.7305 0.7308 0.9392 0.9743 6.1188 6.1214 6.5580 6.5593 6.6588 6.6622 7.6652 7.6757 7.7547 7.7565 8.1569 8.1578 9.5742 9.5757 9.6580 9.6600 10.1598 10.1601 14.1160 14.1250 14.1664 14.1679 14.4677 14.4688 16.0044 16.0113 k =-0.5000 0.4986 0.1386 ( 2752 PWs) bands (ev): -46.0571 -46.0571 -22.7936 -22.7929 -22.1681 -22.1681 -22.1081 -22.1073 -14.2312 -14.2312 -6.0379 -6.0370 -5.8213 -5.8184 -5.8058 -5.8056 -0.9947 -0.9685 0.7538 0.7541 0.9780 1.0113 6.1189 6.1217 6.5570 6.5591 6.6050 6.6098 7.6616 7.6707 7.7391 7.7404 8.2273 8.2287 9.5506 9.5519 9.6419 9.6438 10.1576 10.1579 14.1024 14.1116 14.1479 14.1496 14.4598 14.4609 15.9188 15.9256 k =-0.5000 0.4986 0.1260 ( 2754 PWs) bands (ev): -46.0572 -46.0572 -22.7933 -22.7926 -22.1682 -22.1682 -22.1069 -22.1062 -14.2332 -14.2332 -6.0535 -6.0527 -5.8264 -5.8238 -5.8102 -5.8101 -0.9740 -0.9496 0.7757 0.7760 1.0151 1.0464 6.1189 6.1217 6.5481 6.5518 6.5613 6.5680 7.6570 7.6648 7.7229 7.7239 8.2970 8.2986 9.5288 9.5299 9.6273 9.6293 10.1555 10.1558 14.0904 14.0998 14.1307 14.1326 14.4523 14.4534 15.8362 15.8429 k =-0.5000 0.4986 0.1134 ( 2756 PWs) bands (ev): -46.0572 -46.0572 -22.7929 -22.7923 -22.1683 -22.1683 -22.1059 -22.1052 -14.2350 -14.2350 -6.0679 -6.0672 -5.8312 -5.8288 -5.8143 -5.8142 -0.9547 -0.9323 0.7961 0.7963 1.0501 1.0792 6.1188 6.1217 6.5056 6.5076 6.5598 6.5610 7.6520 7.6586 7.7069 7.7076 8.3640 8.3659 9.5088 9.5098 9.6143 9.6162 10.1536 10.1538 14.0800 14.0894 14.1151 14.1171 14.4455 14.4465 15.7577 15.7642 k =-0.5000 0.4986 0.1008 ( 2746 PWs) bands (ev): -46.0572 -46.0572 -22.7926 -22.7920 -22.1683 -22.1683 -22.1048 -22.1042 -14.2367 -14.2367 -6.0810 -6.0803 -5.8355 -5.8334 -5.8180 -5.8179 -0.9369 -0.9166 0.8148 0.8150 1.0829 1.1093 6.1185 6.1215 6.4617 6.4644 6.5597 6.5602 7.6468 7.6524 7.6915 7.6920 8.4274 8.4293 9.4908 9.4916 9.6028 9.6046 10.1519 10.1521 14.0710 14.0803 14.1012 14.1033 14.4392 14.4401 15.6840 15.6903 k =-0.5000 0.4986 0.0882 ( 2740 PWs) bands (ev): -46.0572 -46.0572 -22.7923 -22.7918 -22.1684 -22.1684 -22.1039 -22.1033 -14.2382 -14.2382 -6.0926 -6.0921 -5.8394 -5.8375 -5.8214 -5.8213 -0.9207 -0.9026 0.8317 0.8318 1.1129 1.1366 6.1183 6.1213 6.4219 6.4246 6.5598 6.5600 7.6419 7.6464 7.6771 7.6775 8.4859 8.4878 9.4746 9.4753 9.5927 9.5944 10.1504 10.1505 14.0634 14.0723 14.0892 14.0914 14.4336 14.4345 15.6163 15.6222 k =-0.5000 0.4986 0.0756 ( 2736 PWs) bands (ev): -46.0572 -46.0572 -22.7920 -22.7916 -22.1684 -22.1684 -22.1031 -22.1026 -14.2395 -14.2395 -6.1029 -6.1024 -5.8427 -5.8411 -5.8243 -5.8242 -0.9062 -0.8905 0.8465 0.8467 1.1399 1.1607 6.1179 6.1209 6.3867 6.3891 6.5598 6.5599 7.6372 7.6409 7.6641 7.6643 8.5388 8.5405 9.4605 9.4609 9.5840 9.5855 10.1490 10.1491 14.0570 14.0649 14.0796 14.0814 14.4287 14.4295 15.5553 15.5607 k =-0.5000 0.4986 0.0630 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7918 -22.7914 -22.1685 -22.1685 -22.1024 -22.1020 -14.2407 -14.2407 -6.1116 -6.1112 -5.8456 -5.8442 -5.8268 -5.8267 -0.8936 -0.8804 0.8594 0.8595 1.1636 1.1813 6.1176 6.1204 6.3564 6.3583 6.5599 6.5599 7.6330 7.6359 7.6528 7.6528 8.5851 8.5868 9.4483 9.4486 9.5767 9.5780 10.1478 10.1479 14.0514 14.0579 14.0725 14.0735 14.4245 14.4251 15.5019 15.5067 k =-0.5000 0.4986 0.0504 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7916 -22.7913 -22.1685 -22.1685 -22.1018 -22.1015 -14.2416 -14.2416 -6.1188 -6.1185 -5.8479 -5.8468 -5.8288 -5.8288 -0.8829 -0.8722 0.8700 0.8701 1.1838 1.1981 6.1173 6.1198 6.3312 6.3327 6.5599 6.5599 7.6294 7.6314 7.6432 7.6433 8.6243 8.6257 9.4382 9.4384 9.5707 9.5718 10.1469 10.1469 14.0466 14.0514 14.0676 14.0678 14.4210 14.4216 15.4571 15.4611 k =-0.5000 0.4986 0.0378 ( 2736 PWs) bands (ev): -46.0573 -46.0573 -22.7914 -22.7912 -22.1685 -22.1685 -22.1014 -22.1011 -14.2423 -14.2423 -6.1245 -6.1242 -5.8497 -5.8489 -5.8304 -5.8304 -0.8742 -0.8661 0.8783 0.8784 1.2002 1.2110 6.1171 6.1192 6.3115 6.3125 6.5600 6.5600 7.6264 7.6277 7.6357 7.6360 8.6556 8.6567 9.4302 9.4303 9.5661 9.5670 10.1461 10.1462 14.0426 14.0459 14.0640 14.0643 14.4183 14.4187 15.4214 15.4246 k =-0.5000 0.4986 0.0252 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7913 -22.7911 -22.1685 -22.1685 -22.1010 -22.1008 -14.2429 -14.2429 -6.1285 -6.1283 -5.8509 -5.8504 -5.8316 -5.8316 -0.8675 -0.8621 0.8843 0.8844 1.2125 1.2198 6.1170 6.1185 6.2973 6.2979 6.5600 6.5600 7.6239 7.6246 7.6305 7.6309 8.6784 8.6792 9.4244 9.4244 9.5628 9.5635 10.1456 10.1456 14.0397 14.0416 14.0617 14.0622 14.4164 14.4167 15.3957 15.3978 k =-0.5000 0.4986 0.0126 ( 2732 PWs) bands (ev): -46.0573 -46.0573 -22.7912 -22.7911 -22.1686 -22.1686 -22.1007 -22.1007 -14.2432 -14.2432 -6.1309 -6.1308 -5.8516 -5.8514 -5.8323 -5.8323 -0.8629 -0.8602 0.8880 0.8880 1.2208 1.2244 6.1171 6.1179 6.2888 6.2891 6.5600 6.5600 7.6222 7.6224 7.6277 7.6280 8.6924 8.6928 9.4209 9.4209 9.5609 9.5613 10.1453 10.1453 14.0380 14.0389 14.0606 14.0610 14.4152 14.4154 15.3802 15.3813 k =-0.5000 0.4986 0.0000 ( 2728 PWs) bands (ev): -46.0573 -46.0573 -22.7911 -22.7911 -22.1685 -22.1685 -22.1006 -22.1006 -14.2433 -14.2433 -6.1317 -6.1317 -5.8518 -5.8518 -5.8325 -5.8325 -0.8605 -0.8605 0.8892 0.8892 1.2248 1.2248 6.1174 6.1174 6.2860 6.2860 6.5600 6.5600 7.6216 7.6216 7.6270 7.6270 8.6972 8.6972 9.4197 9.4197 9.5604 9.5604 10.1452 10.1452 14.0377 14.0377 14.0604 14.0604 14.4149 14.4149 15.3754 15.3754 k = 0.0000 0.0000 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7763 -22.1275 -22.1275 -22.1170 -22.1170 -14.3102 -14.3102 -6.7774 -6.7774 -5.8566 -5.8566 -5.4986 -5.4986 -0.7638 -0.7638 1.1407 1.1407 1.2739 1.2739 6.4067 6.4067 7.5908 7.5908 7.6032 7.6032 8.1515 8.1515 8.2049 8.2049 8.6670 8.6670 8.7628 8.7628 9.3176 9.3176 9.4191 9.4191 12.7323 12.7323 13.9943 13.9943 14.0818 14.0818 14.6233 14.6233 k =-0.0089 0.0089 0.5041 ( 2766 PWs) bands (ev): -46.0581 -46.0581 -22.7763 -22.7763 -22.1275 -22.1275 -22.1170 -22.1170 -14.3100 -14.3100 -6.7766 -6.7766 -5.8565 -5.8565 -5.4990 -5.4990 -0.7640 -0.7640 1.1406 1.1406 1.2733 1.2733 6.4063 6.4063 7.5910 7.5910 7.6030 7.6030 8.1435 8.1435 8.2014 8.2014 8.6722 8.6722 8.7692 8.7692 9.3147 9.3147 9.4175 9.4175 12.7346 12.7346 13.9944 13.9944 14.0819 14.0819 14.6265 14.6265 k =-0.0179 0.0178 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7764 -22.7764 -22.1275 -22.1275 -22.1171 -22.1171 -14.3097 -14.3097 -6.7744 -6.7744 -5.8560 -5.8560 -5.5001 -5.5001 -0.7645 -0.7645 1.1402 1.1402 1.2714 1.2714 6.4054 6.4054 7.5915 7.5915 7.6024 7.6024 8.1201 8.1201 8.1919 8.1919 8.6868 8.6868 8.7877 8.7877 9.3062 9.3062 9.4127 9.4127 12.7413 12.7413 13.9947 13.9947 14.0821 14.0821 14.6361 14.6361 k =-0.0268 0.0267 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7765 -22.7765 -22.1275 -22.1275 -22.1173 -22.1173 -14.3091 -14.3091 -6.7706 -6.7706 -5.8553 -5.8553 -5.5018 -5.5018 -0.7655 -0.7655 1.1395 1.1395 1.2684 1.2684 6.4037 6.4037 7.5920 7.5920 7.6017 7.6017 8.0835 8.0835 8.1782 8.1782 8.7091 8.7091 8.8162 8.8162 9.2920 9.2920 9.4049 9.4049 12.7524 12.7524 13.9952 13.9952 14.0825 14.0825 14.6522 14.6522 k =-0.0357 0.0356 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7766 -22.7766 -22.1276 -22.1276 -22.1176 -22.1176 -14.3084 -14.3084 -6.7654 -6.7654 -5.8543 -5.8543 -5.5042 -5.5042 -0.7668 -0.7668 1.1383 1.1383 1.2642 1.2642 6.4015 6.4015 7.5919 7.5919 7.6014 7.6014 8.0367 8.0367 8.1616 8.1616 8.7373 8.7374 8.8521 8.8521 9.2724 9.2724 9.3943 9.3943 12.7678 12.7678 13.9960 13.9960 14.0831 14.0831 14.6744 14.6744 k =-0.0446 0.0445 0.5041 ( 2758 PWs) bands (ev): -46.0581 -46.0581 -22.7768 -22.7768 -22.1277 -22.1277 -22.1179 -22.1179 -14.3074 -14.3074 -6.7587 -6.7587 -5.8531 -5.8531 -5.5073 -5.5073 -0.7686 -0.7686 1.1366 1.1366 1.2592 1.2592 6.3987 6.3987 7.5906 7.5907 7.6021 7.6021 7.9828 7.9828 8.1430 8.1430 8.7703 8.7703 8.8928 8.8928 9.2475 9.2475 9.3811 9.3811 12.7873 12.7873 13.9972 13.9972 14.0839 14.0839 14.7028 14.7028 k =-0.0536 0.0534 0.5041 ( 2754 PWs) bands (ev): -46.0581 -46.0581 -22.7770 -22.7770 -22.1278 -22.1278 -22.1183 -22.1183 -14.3062 -14.3062 -6.7505 -6.7505 -5.8515 -5.8515 -5.5110 -5.5110 -0.7709 -0.7709 1.1340 1.1340 1.2534 1.2534 6.3953 6.3953 7.5880 7.5880 7.6037 7.6037 7.9242 7.9242 8.1232 8.1232 8.8069 8.8069 8.9365 8.9365 9.2175 9.2175 9.3656 9.3656 12.8108 12.8108 13.9986 13.9986 14.0850 14.0850 14.7370 14.7370 k =-0.0625 0.0623 0.5041 ( 2762 PWs) bands (ev): -46.0581 -46.0581 -22.7773 -22.7773 -22.1279 -22.1279 -22.1189 -22.1189 -14.3047 -14.3047 -6.7409 -6.7409 -5.8497 -5.8497 -5.5152 -5.5152 -0.7738 -0.7738 1.1304 1.1304 1.2470 1.2470 6.3914 6.3914 7.5843 7.5843 7.6058 7.6058 7.8625 7.8625 8.1028 8.1028 8.8466 8.8466 8.9816 8.9816 9.1827 9.1827 9.3482 9.3482 12.8381 12.8381 14.0006 14.0006 14.0864 14.0864 14.7768 14.7768 k =-0.0714 0.0712 0.5041 ( 2758 PWs) bands (ev): -46.0580 -46.0580 -22.7776 -22.7776 -22.1281 -22.1281 -22.1194 -22.1194 -14.3031 -14.3031 -6.7298 -6.7298 -5.8476 -5.8476 -5.5200 -5.5200 -0.7772 -0.7772 1.1253 1.1253 1.2403 1.2403 6.3871 6.3871 7.5797 7.5797 7.6080 7.6080 7.7991 7.7991 8.0822 8.0822 8.8887 8.8887 9.0271 9.0271 9.1435 9.1435 9.3294 9.3294 12.8690 12.8690 14.0030 14.0030 14.0881 14.0881 14.8220 14.8220 k =-0.0804 0.0801 0.5041 ( 2752 PWs) bands (ev): -46.0580 -46.0580 -22.7779 -22.7779 -22.1282 -22.1282 -22.1200 -22.1200 -14.3013 -14.3013 -6.7174 -6.7174 -5.8452 -5.8452 -5.5252 -5.5252 -0.7814 -0.7814 1.1185 1.1185 1.2337 1.2337 6.3824 6.3824 7.5742 7.5742 7.6100 7.6100 7.7350 7.7350 8.0620 8.0620 8.9328 8.9328 9.0718 9.0718 9.1008 9.1008 9.3095 9.3095 12.9032 12.9032 14.0060 14.0060 14.0903 14.0903 14.8723 14.8723 k =-0.0893 0.0890 0.5041 ( 2752 PWs) bands (ev): -46.0580 -46.0580 -22.7783 -22.7783 -22.1284 -22.1284 -22.1207 -22.1207 -14.2993 -14.2993 -6.7035 -6.7035 -5.8426 -5.8426 -5.5308 -5.5308 -0.7862 -0.7862 1.1097 1.1097 1.2272 1.2272 6.3774 6.3774 7.5678 7.5678 7.6115 7.6115 7.6711 7.6711 8.0423 8.0423 8.9779 8.9779 9.0530 9.0530 9.1179 9.1179 9.2890 9.2890 12.9404 12.9404 14.0097 14.0097 14.0929 14.0929 14.9274 14.9274 k =-0.0982 0.0979 0.5041 ( 2754 PWs) bands (ev): -46.0580 -46.0580 -22.7787 -22.7787 -22.1286 -22.1286 -22.1215 -22.1215 -14.2971 -14.2971 -6.6883 -6.6883 -5.8398 -5.8398 -5.5368 -5.5368 -0.7918 -0.7918 1.0987 1.0987 1.2210 1.2210 6.3721 6.3721 7.5597 7.5597 7.6072 7.6072 7.6137 7.6137 8.0235 8.0235 8.9976 8.9976 9.0300 9.0300 9.1615 9.1615 9.2686 9.2686 12.9804 12.9804 14.0140 14.0140 14.0961 14.0961 14.9869 14.9869 k =-0.1071 0.1068 0.5041 ( 2758 PWs) bands (ev): -46.0579 -46.0579 -22.7792 -22.7792 -22.1288 -22.1288 -22.1224 -22.1224 -14.2947 -14.2947 -6.6718 -6.6718 -5.8367 -5.8367 -5.5430 -5.5430 -0.7983 -0.7983 1.0854 1.0854 1.2151 1.2151 6.3666 6.3666 7.5378 7.5378 7.5605 7.5605 7.6121 7.6121 8.0056 8.0056 8.9467 8.9467 9.0755 9.0755 9.2037 9.2038 9.2491 9.2491 13.0230 13.0230 14.0191 14.0191 14.0999 14.0999 15.0505 15.0505 k =-0.1161 0.1157 0.5041 ( 2762 PWs) bands (ev): -46.0579 -46.0579 -22.7797 -22.7797 -22.1291 -22.1291 -22.1233 -22.1233 -14.2921 -14.2921 -6.6541 -6.6541 -5.8333 -5.8333 -5.5495 -5.5495 -0.8057 -0.8057 1.0700 1.0700 1.2092 1.2092 6.3609 6.3609 7.4821 7.4821 7.5475 7.5475 7.6103 7.6103 7.9887 7.9887 8.8908 8.8908 9.1241 9.1241 9.2269 9.2269 9.2486 9.2486 13.0679 13.0679 14.0251 14.0251 14.1044 14.1044 15.1179 15.1179 k =-0.1250 0.1246 0.5041 ( 2752 PWs) bands (ev): -46.0579 -46.0579 -22.7802 -22.7802 -22.1293 -22.1293 -22.1242 -22.1242 -14.2894 -14.2894 -6.6350 -6.6350 -5.8298 -5.8298 -5.5560 -5.5560 -0.8140 -0.8140 1.0525 1.0525 1.2032 1.2032 6.3551 6.3551 7.4249 7.4249 7.5375 7.5375 7.6068 7.6068 7.9729 7.9729 8.8326 8.8327 9.1734 9.1734 9.2111 9.2111 9.2875 9.2875 13.1148 13.1148 14.0318 14.0318 14.1096 14.1096 15.1887 15.1887 k =-0.1339 0.1335 0.5041 ( 2748 PWs) bands (ev): -46.0578 -46.0578 -22.7807 -22.7807 -22.1295 -22.1295 -22.1252 -22.1252 -14.2865 -14.2865 -6.6148 -6.6148 -5.8260 -5.8260 -5.5627 -5.5627 -0.8233 -0.8233 1.0331 1.0331 1.1967 1.1967 6.3493 6.3493 7.3701 7.3701 7.5270 7.5270 7.6014 7.6014 7.9583 7.9583 8.7728 8.7728 9.1960 9.1960 9.2231 9.2232 9.3265 9.3265 13.1635 13.1635 14.0395 14.0395 14.1156 14.1156 15.2627 15.2627 k =-0.1429 0.1424 0.5041 ( 2748 PWs) bands (ev): -46.0578 -46.0578 -22.7813 -22.7813 -22.1298 -22.1298 -22.1262 -22.1262 -14.2835 -14.2835 -6.5934 -6.5934 -5.8220 -5.8220 -5.5693 -5.5693 -0.8335 -0.8335 1.0120 1.0120 1.1895 1.1895 6.3435 6.3435 7.3186 7.3186 7.5156 7.5156 7.5937 7.5937 7.9447 7.9447 8.7118 8.7118 9.1834 9.1834 9.2729 9.2729 9.3644 9.3644 13.2136 13.2136 14.0481 14.0481 14.1224 14.1224 15.3394 15.3394 k =-0.1518 0.1513 0.5041 ( 2756 PWs) bands (ev): -46.0577 -46.0577 -22.7820 -22.7820 -22.1301 -22.1301 -22.1274 -22.1274 -14.2804 -14.2804 -6.5709 -6.5709 -5.8178 -5.8178 -5.5759 -5.5759 -0.8449 -0.8449 0.9895 0.9895 1.1812 1.1812 6.3378 6.3378 7.2707 7.2707 7.5031 7.5031 7.5834 7.5834 7.9323 7.9323 8.6502 8.6502 9.1737 9.1737 9.3225 9.3225 9.4013 9.4013 13.2650 13.2650 14.0577 14.0577 14.1302 14.1302 15.4185 15.4185 k =-0.1607 0.1602 0.5041 ( 2754 PWs) bands (ev): -46.0577 -46.0577 -22.7826 -22.7826 -22.1304 -22.1304 -22.1285 -22.1285 -14.2771 -14.2771 -6.5474 -6.5474 -5.8135 -5.8135 -5.5823 -5.5823 -0.8572 -0.8572 0.9656 0.9656 1.1717 1.1717 6.3321 6.3321 7.2269 7.2269 7.4894 7.4894 7.5704 7.5704 7.9209 7.9209 8.5885 8.5885 9.1675 9.1675 9.3717 9.3717 9.4372 9.4372 13.3175 13.3175 14.0681 14.0681 14.1389 14.1389 15.4997 15.4997 k =-0.1696 0.1692 0.5041 ( 2754 PWs) bands (ev): -46.0576 -46.0576 -22.7832 -22.7832 -22.1307 -22.1307 -22.1297 -22.1297 -14.2737 -14.2737 -6.5229 -6.5229 -5.8090 -5.8090 -5.5885 -5.5885 -0.8706 -0.8706 0.9405 0.9405 1.1606 1.1606 6.3266 6.3266 7.1876 7.1876 7.4743 7.4743 7.5546 7.5546 7.9105 7.9105 8.5273 8.5273 9.1649 9.1649 9.4202 9.4202 9.4723 9.4723 13.3707 13.3707 14.0795 14.0795 14.1485 14.1485 15.5827 15.5827 k =-0.1786 0.1781 0.5041 ( 2750 PWs) bands (ev): -46.0576 -46.0576 -22.7839 -22.7839 -22.1312 -22.1312 -22.1307 -22.1307 -14.2703 -14.2703 -6.4974 -6.4974 -5.8043 -5.8043 -5.5945 -5.5945 -0.8850 -0.8850 0.9144 0.9144 1.1477 1.1477 6.3211 6.3211 7.1530 7.1530 7.4576 7.4576 7.5359 7.5359 7.9010 7.9010 8.4673 8.4673 9.1663 9.1663 9.4674 9.4674 9.5070 9.5071 13.4244 13.4244 14.0919 14.0919 14.1592 14.1592 15.6672 15.6672 k =-0.1875 0.1870 0.5041 ( 2754 PWs) bands (ev): -46.0575 -46.0575 -22.7846 -22.7846 -22.1323 -22.1323 -22.1311 -22.1311 -14.2667 -14.2667 -6.4710 -6.4710 -5.7994 -5.7994 -5.6001 -5.6001 -0.9005 -0.9005 0.8874 0.8874 1.1329 1.1329 6.3159 6.3159 7.1234 7.1234 7.4391 7.4391 7.5142 7.5142 7.8922 7.8922 8.4089 8.4089 9.1717 9.1717 9.5123 9.5124 9.5424 9.5424 13.4786 13.4786 14.1051 14.1051 14.1709 14.1709 15.7527 15.7527 k =-0.1964 0.1959 0.5041 ( 2754 PWs) bands (ev): -46.0575 -46.0575 -22.7853 -22.7853 -22.1336 -22.1336 -22.1315 -22.1315 -14.2631 -14.2631 -6.4438 -6.4438 -5.7945 -5.7945 -5.6054 -5.6054 -0.9169 -0.9169 0.8596 0.8596 1.1160 1.1160 6.3107 6.3107 7.0989 7.0989 7.4185 7.4185 7.4897 7.4897 7.8841 7.8841 8.3530 8.3530 9.1812 9.1812 9.5531 9.5531 9.5801 9.5802 13.5329 13.5329 14.1193 14.1193 14.1837 14.1837 15.8391 15.8391 k =-0.2054 0.2048 0.5041 ( 2754 PWs) bands (ev): -46.0574 -46.0574 -22.7860 -22.7860 -22.1349 -22.1349 -22.1318 -22.1318 -14.2594 -14.2594 -6.4159 -6.4159 -5.7894 -5.7894 -5.6102 -5.6102 -0.9343 -0.9343 0.8312 0.8312 1.0970 1.0970 6.3057 6.3057 7.0797 7.0797 7.3956 7.3956 7.4626 7.4626 7.8764 7.8764 8.3002 8.3002 9.1948 9.1948 9.5886 9.5887 9.6212 9.6213 13.5871 13.5871 14.1342 14.1342 14.1975 14.1975 15.9260 15.9260 k =-0.2143 0.2137 0.5041 ( 2750 PWs) bands (ev): -46.0574 -46.0574 -22.7868 -22.7868 -22.1362 -22.1362 -22.1321 -22.1321 -14.2556 -14.2556 -6.3872 -6.3872 -5.7842 -5.7842 -5.6146 -5.6146 -0.9526 -0.9526 0.8022 0.8022 1.0757 1.0757 6.3008 6.3008 7.0659 7.0659 7.3702 7.3702 7.4329 7.4329 7.8691 7.8691 8.2511 8.2511 9.2123 9.2123 9.6208 9.6208 9.6639 9.6640 13.6412 13.6412 14.1500 14.1500 14.2122 14.2122 16.0130 16.0130 k =-0.2232 0.2226 0.5041 ( 2746 PWs) bands (ev): -46.0573 -46.0573 -22.7875 -22.7875 -22.1375 -22.1375 -22.1324 -22.1324 -14.2518 -14.2518 -6.3580 -6.3580 -5.7789 -5.7789 -5.6185 -5.6185 -0.9717 -0.9717 0.7728 0.7728 1.0521 1.0521 6.2959 6.2959 7.0574 7.0574 7.3422 7.3422 7.4011 7.4011 7.8621 7.8621 8.2064 8.2064 9.2335 9.2335 9.6510 9.6510 9.7066 9.7066 13.6949 13.6949 14.1666 14.1666 14.2280 14.2280 16.0998 16.0998 k =-0.2321 0.2315 0.5041 ( 2750 PWs) bands (ev): -46.0573 -46.0573 -22.7883 -22.7883 -22.1389 -22.1389 -22.1328 -22.1328 -14.2480 -14.2480 -6.3283 -6.3283 -5.7736 -5.7736 -5.6218 -5.6218 -0.9917 -0.9917 0.7431 0.7431 1.0263 1.0263 6.2911 6.2911 7.0542 7.0542 7.3113 7.3113 7.3673 7.3673 7.8551 7.8551 8.1666 8.1666 9.2582 9.2583 9.6802 9.6802 9.7485 9.7485 13.7481 13.7481 14.1839 14.1839 14.2447 14.2447 16.1860 16.1860 k =-0.2411 0.2404 0.5041 ( 2748 PWs) bands (ev): -46.0572 -46.0572 -22.7890 -22.7890 -22.1403 -22.1403 -22.1331 -22.1331 -14.2441 -14.2441 -6.2981 -6.2981 -5.7682 -5.7682 -5.6246 -5.6246 -1.0125 -1.0125 0.7132 0.7132 0.9983 0.9983 6.2862 6.2862 7.0561 7.0561 7.2778 7.2778 7.3318 7.3318 7.8481 7.8481 8.1319 8.1319 9.2862 9.2862 9.7085 9.7085 9.7893 9.7893 13.8006 13.8006 14.2018 14.2018 14.2623 14.2623 16.2713 16.2713 k =-0.2500 0.2493 0.5041 ( 2744 PWs) bands (ev): -46.0572 -46.0572 -22.7898 -22.7898 -22.1416 -22.1416 -22.1334 -22.1334 -14.2403 -14.2403 -6.2675 -6.2675 -5.7628 -5.7628 -5.6267 -5.6267 -1.0339 -1.0339 0.6832 0.6832 0.9682 0.9682 6.2811 6.2811 7.0629 7.0629 7.2418 7.2418 7.2950 7.2950 7.8411 7.8411 8.1026 8.1026 9.3172 9.3172 9.7362 9.7362 9.8287 9.8287 13.8523 13.8523 14.2203 14.2203 14.2807 14.2807 16.3554 16.3554 k =-0.2589 0.2582 0.5041 ( 2744 PWs) bands (ev): -46.0571 -46.0571 -22.7906 -22.7906 -22.1430 -22.1430 -22.1338 -22.1338 -14.2364 -14.2364 -6.2367 -6.2367 -5.7574 -5.7574 -5.6283 -5.6283 -1.0559 -1.0559 0.6532 0.6532 0.9362 0.9362 6.2758 6.2758 7.0739 7.0739 7.2039 7.2039 7.2571 7.2571 7.8341 7.8341 8.0786 8.0786 9.3508 9.3508 9.7635 9.7635 9.8667 9.8667 13.9032 13.9032 14.2393 14.2393 14.2999 14.2999 16.4377 16.4377 k =-0.2679 0.2671 0.5041 ( 2748 PWs) bands (ev): -46.0571 -46.0571 -22.7913 -22.7913 -22.1444 -22.1444 -22.1341 -22.1341 -14.2326 -14.2326 -6.2057 -6.2057 -5.7519 -5.7519 -5.6293 -5.6293 -1.0785 -1.0785 0.6233 0.6233 0.9023 0.9023 6.2701 6.2701 7.0875 7.0875 7.1659 7.1659 7.2184 7.2184 7.8274 7.8274 8.0595 8.0595 9.3868 9.3868 9.7903 9.7903 9.9032 9.9032 13.9530 13.9530 14.2588 14.2588 14.3198 14.3198 16.5179 16.5179 k =-0.2768 0.2760 0.5041 ( 2742 PWs) bands (ev): -46.0570 -46.0570 -22.7921 -22.7921 -22.1457 -22.1457 -22.1344 -22.1344 -14.2289 -14.2289 -6.1746 -6.1746 -5.7465 -5.7465 -5.6297 -5.6297 -1.1015 -1.1015 0.5936 0.5936 0.8668 0.8668 6.2640 6.2640 7.0936 7.0936 7.1381 7.1381 7.1792 7.1792 7.8213 7.8213 8.0448 8.0448 9.4248 9.4248 9.8169 9.8169 9.9382 9.9382 14.0016 14.0016 14.2786 14.2786 14.3402 14.3402 16.5954 16.5954 k =-0.2857 0.2849 0.5041 ( 2738 PWs) bands (ev): -46.0570 -46.0570 -22.7928 -22.7928 -22.1470 -22.1470 -22.1347 -22.1347 -14.2251 -14.2251 -6.1436 -6.1436 -5.7411 -5.7411 -5.6295 -5.6295 -1.1249 -1.1249 0.5642 0.5642 0.8300 0.8300 6.2573 6.2573 7.0664 7.0664 7.1398 7.1398 7.1465 7.1465 7.8159 7.8159 8.0339 8.0339 9.4646 9.4646 9.8432 9.8432 9.9716 9.9716 14.0491 14.0491 14.2987 14.2987 14.3611 14.3611 16.6696 16.6696 k =-0.2946 0.2938 0.5041 ( 2738 PWs) bands (ev): -46.0569 -46.0569 -22.7936 -22.7936 -22.1484 -22.1484 -22.1350 -22.1350 -14.2214 -14.2214 -6.1126 -6.1126 -5.7357 -5.7357 -5.6287 -5.6287 -1.1486 -1.1486 0.5352 0.5352 0.7920 0.7920 6.2498 6.2498 7.0259 7.0259 7.1005 7.1005 7.1710 7.1710 7.8117 7.8117 8.0263 8.0263 9.5058 9.5058 9.8693 9.8693 10.0033 10.0033 14.0953 14.0953 14.3191 14.3191 14.3824 14.3824 16.7401 16.7401 k =-0.3036 0.3027 0.5041 ( 2742 PWs) bands (ev): -46.0569 -46.0569 -22.7943 -22.7943 -22.1497 -22.1497 -22.1354 -22.1354 -14.2178 -14.2178 -6.0818 -6.0818 -5.7304 -5.7304 -5.6273 -5.6273 -1.1725 -1.1725 0.5066 0.5066 0.7530 0.7530 6.2414 6.2414 6.9838 6.9838 7.0615 7.0615 7.2003 7.2003 7.8089 7.8089 8.0214 8.0214 9.5482 9.5482 9.8952 9.8952 10.0334 10.0334 14.1401 14.1401 14.3395 14.3395 14.4039 14.4039 16.8060 16.8060 k =-0.3125 0.3116 0.5041 ( 2746 PWs) bands (ev): -46.0568 -46.0568 -22.7951 -22.7951 -22.1510 -22.1510 -22.1357 -22.1357 -14.2143 -14.2143 -6.0514 -6.0514 -5.7252 -5.7252 -5.6254 -5.6254 -1.1965 -1.1965 0.4787 0.4787 0.7135 0.7135 6.2320 6.2320 6.9420 6.9420 7.0230 7.0230 7.2324 7.2324 7.8078 7.8078 8.0186 8.0186 9.5914 9.5914 9.9211 9.9211 10.0619 10.0619 14.1835 14.1835 14.3600 14.3600 14.4256 14.4256 16.8666 16.8666 k =-0.3214 0.3205 0.5041 ( 2738 PWs) bands (ev): -46.0568 -46.0568 -22.7957 -22.7957 -22.1522 -22.1522 -22.1359 -22.1359 -14.2109 -14.2109 -6.0214 -6.0214 -5.7201 -5.7201 -5.6231 -5.6231 -1.2205 -1.2205 0.4514 0.4514 0.6736 0.6736 6.2213 6.2213 6.9015 6.9015 6.9851 6.9851 7.2663 7.2663 7.8085 7.8085 8.0175 8.0175 9.6351 9.6351 9.9469 9.9469 10.0887 10.0887 14.2253 14.2253 14.3804 14.3804 14.4473 14.4473 16.9212 16.9212 k =-0.3304 0.3294 0.5041 ( 2742 PWs) bands (ev): -46.0567 -46.0567 -22.7964 -22.7964 -22.1534 -22.1534 -22.1362 -22.1362 -14.2075 -14.2075 -5.9919 -5.9919 -5.7151 -5.7151 -5.6202 -5.6202 -1.2443 -1.2443 0.4249 0.4249 0.6336 0.6336 6.2093 6.2093 6.8628 6.8628 6.9481 6.9481 7.3012 7.3012 7.8112 7.8112 8.0178 8.0178 9.6791 9.6791 9.9726 9.9726 10.1140 10.1140 14.2656 14.2656 14.4006 14.4006 14.4689 14.4689 16.9688 16.9688 k =-0.3393 0.3383 0.5041 ( 2738 PWs) bands (ev): -46.0567 -46.0567 -22.7971 -22.7971 -22.1545 -22.1545 -22.1365 -22.1365 -14.2043 -14.2043 -5.9631 -5.9631 -5.7102 -5.7102 -5.6170 -5.6170 -1.2680 -1.2680 0.3992 0.3992 0.5939 0.5939 6.1959 6.1959 6.8266 6.8266 6.9122 6.9122 7.3363 7.3363 7.8161 7.8161 8.0191 8.0191 9.7230 9.7230 9.9982 9.9982 10.1377 10.1377 14.3043 14.3043 14.4206 14.4206 14.4902 14.4902 17.0088 17.0088 k =-0.3482 0.3472 0.5041 ( 2742 PWs) bands (ev): -46.0566 -46.0566 -22.7977 -22.7977 -22.1557 -22.1557 -22.1368 -22.1368 -14.2012 -14.2012 -5.9350 -5.9350 -5.7054 -5.7054 -5.6134 -5.6134 -1.2913 -1.2913 0.3743 0.3743 0.5546 0.5546 6.1811 6.1811 6.7930 6.7930 6.8775 6.8775 7.3710 7.3710 7.8233 7.8233 8.0213 8.0213 9.7667 9.7667 10.0237 10.0237 10.1598 10.1598 14.3414 14.3414 14.4403 14.4403 14.5112 14.5112 17.0404 17.0404 k =-0.3571 0.3561 0.5041 ( 2742 PWs) bands (ev): -46.0566 -46.0566 -22.7984 -22.7984 -22.1568 -22.1568 -22.1370 -22.1370 -14.1982 -14.1982 -5.9078 -5.9078 -5.7009 -5.7009 -5.6095 -5.6095 -1.3142 -1.3142 0.3505 0.3505 0.5161 0.5161 6.1648 6.1648 6.7625 6.7625 6.8440 6.8440 7.4044 7.4044 7.8331 7.8331 8.0242 8.0242 9.8097 9.8097 10.0491 10.0491 10.1804 10.1804 14.3767 14.3767 14.4595 14.4595 14.5317 14.5317 17.0634 17.0634 k =-0.3661 0.3650 0.5041 ( 2748 PWs) bands (ev): -46.0566 -46.0566 -22.7990 -22.7990 -22.1578 -22.1578 -22.1373 -22.1373 -14.1954 -14.1954 -5.8816 -5.8816 -5.6965 -5.6965 -5.6053 -5.6053 -1.3365 -1.3365 0.3277 0.3277 0.4786 0.4786 6.1473 6.1473 6.7350 6.7350 6.8121 6.8121 7.4359 7.4359 7.8454 7.8454 8.0276 8.0276 9.8519 9.8519 10.0743 10.0743 10.1995 10.1995 14.4102 14.4102 14.4782 14.4782 14.5516 14.5516 17.0779 17.0779 k =-0.3750 0.3739 0.5041 ( 2748 PWs) bands (ev): -46.0565 -46.0565 -22.7996 -22.7996 -22.1588 -22.1588 -22.1375 -22.1375 -14.1927 -14.1927 -5.8564 -5.8564 -5.6922 -5.6922 -5.6010 -5.6010 -1.3581 -1.3581 0.3060 0.3060 0.4423 0.4423 6.1287 6.1287 6.7106 6.7106 6.7817 6.7817 7.4650 7.4650 7.8603 7.8603 8.0313 8.0313 9.8929 9.8929 10.0992 10.0992 10.2172 10.2172 14.4419 14.4419 14.4963 14.4963 14.5708 14.5708 17.0844 17.0844 k =-0.3839 0.3828 0.5041 ( 2744 PWs) bands (ev): -46.0565 -46.0565 -22.8001 -22.8001 -22.1597 -22.1597 -22.1377 -22.1377 -14.1901 -14.1901 -5.8325 -5.8325 -5.6882 -5.6882 -5.5965 -5.5965 -1.3790 -1.3790 0.2855 0.2855 0.4076 0.4076 6.1094 6.1094 6.6892 6.6892 6.7530 6.7530 7.4913 7.4913 7.8777 7.8777 8.0352 8.0352 9.9325 9.9325 10.1237 10.1237 10.2335 10.2335 14.4717 14.4717 14.5137 14.5137 14.5891 14.5891 17.0838 17.0838 k =-0.3929 0.3917 0.5041 ( 2744 PWs) bands (ev): -46.0564 -46.0564 -22.8006 -22.8006 -22.1606 -22.1606 -22.1380 -22.1380 -14.1877 -14.1877 -5.8099 -5.8099 -5.6844 -5.6844 -5.5920 -5.5920 -1.3989 -1.3989 0.2661 0.2661 0.3746 0.3746 6.0896 6.0896 6.6706 6.6706 6.7260 6.7260 7.5144 7.5144 7.8971 7.8971 8.0392 8.0392 9.9704 9.9704 10.1476 10.1476 10.2483 10.2483 14.4996 14.4996 14.5303 14.5303 14.6065 14.6065 17.0773 17.0773 k =-0.4018 0.4006 0.5041 ( 2744 PWs) bands (ev): -46.0564 -46.0564 -22.8010 -22.8010 -22.1614 -22.1614 -22.1382 -22.1382 -14.1855 -14.1855 -5.7887 -5.7887 -5.6808 -5.6808 -5.5876 -5.5876 -1.4177 -1.4177 0.2480 0.2480 0.3436 0.3436 6.0698 6.0698 6.6547 6.6547 6.7009 6.7009 7.5345 7.5345 7.9182 7.9182 8.0433 8.0433 10.0064 10.0064 10.1709 10.1709 10.2619 10.2619 14.5253 14.5253 14.5462 14.5462 14.6229 14.6229 17.0662 17.0662 k =-0.4107 0.4095 0.5041 ( 2748 PWs) bands (ev): -46.0564 -46.0564 -22.8015 -22.8015 -22.1621 -22.1621 -22.1384 -22.1384 -14.1835 -14.1835 -5.7690 -5.7690 -5.6774 -5.6774 -5.5832 -5.5832 -1.4355 -1.4355 0.2312 0.2312 0.3147 0.3147 6.0502 6.0502 6.6411 6.6411 6.6778 6.6778 7.5516 7.5516 7.9402 7.9402 8.0472 8.0472 10.0402 10.0402 10.1932 10.1932 10.2741 10.2741 14.5486 14.5486 14.5615 14.5615 14.6382 14.6382 17.0519 17.0519 k =-0.4196 0.4184 0.5041 ( 2748 PWs) bands (ev): -46.0564 -46.0564 -22.8019 -22.8019 -22.1628 -22.1628 -22.1385 -22.1385 -14.1816 -14.1816 -5.7510 -5.7510 -5.6742 -5.6742 -5.5789 -5.5789 -1.4519 -1.4519 0.2157 0.2157 0.2883 0.2883 6.0314 6.0314 6.6297 6.6297 6.6567 6.6567 7.5660 7.5660 7.9626 7.9626 8.0511 8.0511 10.0716 10.0716 10.2145 10.2145 10.2851 10.2851 14.5683 14.5683 14.5773 14.5773 14.6523 14.6523 17.0356 17.0356 k =-0.4286 0.4273 0.5041 ( 2752 PWs) bands (ev): -46.0563 -46.0563 -22.8023 -22.8023 -22.1635 -22.1635 -22.1387 -22.1387 -14.1799 -14.1799 -5.7347 -5.7347 -5.6712 -5.6712 -5.5749 -5.5749 -1.4669 -1.4669 0.2016 0.2016 0.2643 0.2643 6.0136 6.0136 6.6201 6.6201 6.6376 6.6376 7.5780 7.5780 7.9845 7.9845 8.0547 8.0547 10.1003 10.1003 10.2343 10.2343 10.2949 10.2949 14.5832 14.5832 14.5945 14.5945 14.6651 14.6651 17.0185 17.0185 k =-0.4375 0.4362 0.5041 ( 2756 PWs) bands (ev): -46.0563 -46.0563 -22.8026 -22.8026 -22.1640 -22.1640 -22.1388 -22.1388 -14.1784 -14.1784 -5.7203 -5.7203 -5.6684 -5.6684 -5.5712 -5.5712 -1.4805 -1.4805 0.1887 0.1887 0.2431 0.2431 5.9972 5.9972 6.6121 6.6121 6.6206 6.6206 7.5880 7.5880 8.0054 8.0054 8.0580 8.0580 10.1262 10.1262 10.2526 10.2526 10.3035 10.3035 14.5951 14.5951 14.6113 14.6113 14.6766 14.6766 17.0013 17.0013 k =-0.4464 0.4451 0.5041 ( 2776 PWs) bands (ev): -46.0563 -46.0563 -22.8030 -22.8030 -22.1646 -22.1646 -22.1390 -22.1390 -14.1771 -14.1771 -5.7078 -5.7078 -5.6658 -5.6658 -5.5679 -5.5679 -1.4925 -1.4925 0.1772 0.1772 0.2248 0.2248 5.9824 5.9824 6.6053 6.6053 6.6061 6.6061 7.5961 7.5961 8.0245 8.0245 8.0611 8.0611 10.1491 10.1491 10.2690 10.2690 10.3110 10.3110 14.6052 14.6052 14.6264 14.6264 14.6866 14.6866 16.9850 16.9850 k =-0.4554 0.4540 0.5041 ( 2788 PWs) bands (ev): -46.0563 -46.0563 -22.8033 -22.8033 -22.1651 -22.1651 -22.1391 -22.1391 -14.1760 -14.1760 -5.6974 -5.6974 -5.6633 -5.6633 -5.5649 -5.5649 -1.5028 -1.5028 0.1672 0.1672 0.2094 0.2094 5.9695 5.9695 6.5932 6.5932 6.6004 6.6004 7.6026 7.6026 8.0416 8.0416 8.0637 8.0637 10.1687 10.1687 10.2833 10.2833 10.3173 10.3173 14.6138 14.6138 14.6394 14.6394 14.6952 14.6952 16.9702 16.9702 k =-0.4643 0.4629 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8035 -22.8035 -22.1654 -22.1654 -22.1393 -22.1393 -14.1751 -14.1751 -5.6892 -5.6892 -5.6610 -5.6610 -5.5624 -5.5624 -1.5113 -1.5113 0.1586 0.1586 0.1970 0.1970 5.9587 5.9587 6.5829 6.5829 6.5963 6.5963 7.6077 7.6077 8.0559 8.0559 8.0661 8.0661 10.1850 10.1850 10.2953 10.2953 10.3226 10.3226 14.6208 14.6208 14.6501 14.6501 14.7023 14.7023 16.9574 16.9574 k =-0.4732 0.4718 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8036 -22.8036 -22.1657 -22.1657 -22.1393 -22.1393 -14.1744 -14.1744 -5.6831 -5.6831 -5.6587 -5.6587 -5.5604 -5.5604 -1.5180 -1.5180 0.1516 0.1516 0.1875 0.1875 5.9501 5.9501 6.5748 6.5748 6.5932 6.5932 7.6116 7.6116 8.0660 8.0660 8.0693 8.0693 10.1978 10.1978 10.3047 10.3047 10.3268 10.3268 14.6263 14.6263 14.6586 14.6586 14.7079 14.7079 16.9470 16.9470 k =-0.4821 0.4807 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8037 -22.8037 -22.1659 -22.1659 -22.1394 -22.1394 -14.1739 -14.1739 -5.6791 -5.6791 -5.6568 -5.6568 -5.5590 -5.5590 -1.5228 -1.5228 0.1464 0.1464 0.1809 0.1809 5.9439 5.9439 6.5691 6.5691 6.5911 6.5911 7.6143 7.6143 8.0685 8.0685 8.0766 8.0766 10.2070 10.2070 10.3114 10.3114 10.3300 10.3300 14.6302 14.6302 14.6646 14.6646 14.7119 14.7119 16.9394 16.9394 k =-0.4911 0.4896 0.5041 ( 2792 PWs) bands (ev): -46.0563 -46.0563 -22.8038 -22.8038 -22.1660 -22.1660 -22.1394 -22.1394 -14.1736 -14.1736 -5.6768 -5.6768 -5.6555 -5.6555 -5.5581 -5.5581 -1.5257 -1.5257 0.1432 0.1432 0.1770 0.1770 5.9401 5.9401 6.5656 6.5656 6.5898 6.5898 7.6159 7.6159 8.0694 8.0694 8.0816 8.0816 10.2126 10.2126 10.3153 10.3153 10.3320 10.3320 14.6326 14.6326 14.6683 14.6683 14.7143 14.7143 16.9347 16.9347 k =-0.5000 0.4986 0.5041 ( 2800 PWs) bands (ev): -46.0563 -46.0563 -22.8039 -22.8039 -22.1660 -22.1660 -22.1395 -22.1395 -14.1735 -14.1735 -5.6761 -5.6761 -5.6550 -5.6550 -5.5578 -5.5578 -1.5267 -1.5267 0.1421 0.1421 0.1757 0.1757 5.9389 5.9389 6.5644 6.5644 6.5894 6.5894 7.6164 7.6164 8.0697 8.0697 8.0833 8.0833 10.2145 10.2145 10.3166 10.3166 10.3327 10.3327 14.6334 14.6334 14.6695 14.6695 14.7151 14.7151 16.9332 16.9332 Writing output data file BaTiO3.save init_run : 3.76s CPU 13.44s WALL ( 1 calls) electrons : 758.98s CPU 766.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 758.94s CPU 766.29s WALL ( 1 calls) v_of_rho : 0.11s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.63s WALL ( 1 calls) newd : 0.41s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.15s WALL ( 476 calls) cegterg : 728.16s CPU 733.46s WALL ( 1291 calls) Called by sum_band: Called by *egterg: h_psi : 270.87s CPU 282.21s WALL ( 22163 calls) s_psi : 30.96s CPU 31.69s WALL ( 22163 calls) g_psi : 0.65s CPU 0.70s WALL ( 20396 calls) cdiaghg : 316.19s CPU 310.72s WALL ( 20872 calls) cegterg:over : 63.42s CPU 59.84s WALL ( 20396 calls) cegterg:upda : 8.07s CPU 12.36s WALL ( 20396 calls) cegterg:last : 8.50s CPU 9.71s WALL ( 3224 calls) Called by h_psi: h_psi:vloc : 210.75s CPU 221.22s WALL ( 22163 calls) h_psi:vnl : 59.92s CPU 60.22s WALL ( 22163 calls) add_vuspsi : 19.73s CPU 23.86s WALL ( 22163 calls) General routines calbec : 40.12s CPU 36.19s WALL ( 22163 calls) fft : 0.38s CPU 1.29s WALL ( 19 calls) ffts : 0.06s CPU 0.09s WALL ( 4 calls) fftw : 197.56s CPU 202.82s WALL ( 1787952 calls) interpolate : 0.12s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 1.23s WALL ( 952 calls) Parallel routines fft_scatter : 142.31s CPU 145.00s WALL ( 1787975 calls) PWSCF : 13m40.04s CPU 15m22.79s WALL This run was terminated on: 16:17: 4 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=