Program PWSCF v.5.1.1 starts on 11Oct2015 at 1:18:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 451 76 Max 55 20 7 2113 464 80 Sum 2621 949 293 101153 22039 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5838 a.u. unit-cell volume = 433.6577 (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)= 7.583824 celldm(2)= 1.000000 celldm(3)= 0.994222 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.002291 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.002291 0.999997 0.000000 ) a(3) = ( 0.000000 0.000000 0.994222 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.002291 -0.000000 ) b(2) = ( 0.000000 1.000003 -0.000000 ) b(3) = ( 0.000000 0.000000 1.005811 ) 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= 478 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089082 0.0089286 -0.0000000), wk = 0.0020921 k( 3) = ( 0.0178163 0.0178572 -0.0000000), wk = 0.0020921 k( 4) = ( 0.0267245 0.0267858 -0.0000000), wk = 0.0020921 k( 5) = ( 0.0356327 0.0357144 -0.0000000), wk = 0.0020921 k( 6) = ( 0.0445408 0.0446430 -0.0000000), wk = 0.0020921 k( 7) = ( 0.0534490 0.0535716 -0.0000000), wk = 0.0020921 k( 8) = ( 0.0623572 0.0625002 -0.0000000), wk = 0.0020921 k( 9) = ( 0.0712653 0.0714288 -0.0000000), wk = 0.0020921 k( 10) = ( 0.0801735 0.0803574 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0890817 0.0892859 -0.0000000), wk = 0.0020921 k( 12) = ( 0.0979898 0.0982145 -0.0000000), wk = 0.0020921 k( 13) = ( 0.1068980 0.1071431 -0.0000000), wk = 0.0020921 k( 14) = ( 0.1158062 0.1160717 -0.0000000), wk = 0.0020921 k( 15) = ( 0.1247143 0.1250003 -0.0000000), wk = 0.0020921 k( 16) = ( 0.1336225 0.1339289 -0.0000000), wk = 0.0020921 k( 17) = ( 0.1425307 0.1428575 -0.0000000), wk = 0.0020921 k( 18) = ( 0.1514388 0.1517861 -0.0000000), wk = 0.0020921 k( 19) = ( 0.1603470 0.1607147 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1692552 0.1696433 -0.0000000), wk = 0.0020921 k( 21) = ( 0.1781633 0.1785719 -0.0000000), wk = 0.0020921 k( 22) = ( 0.1870715 0.1875005 -0.0000000), wk = 0.0020921 k( 23) = ( 0.1959797 0.1964291 -0.0000000), wk = 0.0020921 k( 24) = ( 0.2048878 0.2053577 -0.0000000), wk = 0.0020921 k( 25) = ( 0.2137960 0.2142863 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2227042 0.2232149 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2316123 0.2321435 -0.0000000), wk = 0.0020921 k( 28) = ( 0.2405205 0.2410721 -0.0000000), wk = 0.0020921 k( 29) = ( 0.2494287 0.2500007 -0.0000000), wk = 0.0020921 k( 30) = ( 0.2583368 0.2589293 -0.0000000), wk = 0.0020921 k( 31) = ( 0.2672450 0.2678578 -0.0000000), wk = 0.0020921 k( 32) = ( 0.2761532 0.2767864 -0.0000000), wk = 0.0020921 k( 33) = ( 0.2850613 0.2857150 -0.0000000), wk = 0.0020921 k( 34) = ( 0.2939695 0.2946436 -0.0000000), wk = 0.0020921 k( 35) = ( 0.3028777 0.3035722 -0.0000000), wk = 0.0020921 k( 36) = ( 0.3117858 0.3125008 -0.0000000), wk = 0.0020921 k( 37) = ( 0.3206940 0.3214294 -0.0000000), wk = 0.0020921 k( 38) = ( 0.3296022 0.3303580 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3385103 0.3392866 -0.0000000), wk = 0.0020921 k( 40) = ( 0.3474185 0.3482152 -0.0000000), wk = 0.0020921 k( 41) = ( 0.3563267 0.3571438 -0.0000000), wk = 0.0020921 k( 42) = ( 0.3652348 0.3660724 -0.0000000), wk = 0.0020921 k( 43) = ( 0.3741430 0.3750010 -0.0000000), wk = 0.0020921 k( 44) = ( 0.3830512 0.3839296 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3919593 0.3928582 -0.0000000), wk = 0.0020921 k( 46) = ( 0.4008675 0.4017868 -0.0000000), wk = 0.0020921 k( 47) = ( 0.4097757 0.4107154 -0.0000000), wk = 0.0020921 k( 48) = ( 0.4186838 0.4196440 -0.0000000), wk = 0.0020921 k( 49) = ( 0.4275920 0.4285726 -0.0000000), wk = 0.0020921 k( 50) = ( 0.4365002 0.4375012 -0.0000000), wk = 0.0020921 k( 51) = ( 0.4454083 0.4464297 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4543165 0.4553583 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4632247 0.4642869 -0.0000000), wk = 0.0020921 k( 54) = ( 0.4721328 0.4732155 -0.0000000), wk = 0.0020921 k( 55) = ( 0.4810410 0.4821441 -0.0000000), wk = 0.0020921 k( 56) = ( 0.4899492 0.4910727 -0.0000000), wk = 0.0020921 k( 57) = ( 0.4988573 0.5000013 -0.0000000), wk = 0.0020921 k( 58) = ( 0.4988573 0.5000013 -0.0000000), wk = 0.0020921 k( 59) = ( 0.4863859 0.5000013 -0.0000000), wk = 0.0020921 k( 60) = ( 0.4739145 0.5000013 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4614430 0.5000013 -0.0000000), wk = 0.0020921 k( 62) = ( 0.4489716 0.5000013 -0.0000000), wk = 0.0020921 k( 63) = ( 0.4365002 0.5000013 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4240287 0.5000013 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4115573 0.5000013 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3990859 0.5000013 -0.0000000), wk = 0.0020921 k( 67) = ( 0.3866144 0.5000013 -0.0000000), wk = 0.0020921 k( 68) = ( 0.3741430 0.5000013 -0.0000000), wk = 0.0020921 k( 69) = ( 0.3616716 0.5000013 -0.0000000), wk = 0.0020921 k( 70) = ( 0.3492001 0.5000013 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3367287 0.5000013 -0.0000000), wk = 0.0020921 k( 72) = ( 0.3242573 0.5000013 -0.0000000), wk = 0.0020921 k( 73) = ( 0.3117858 0.5000013 -0.0000000), wk = 0.0020921 k( 74) = ( 0.2993144 0.5000013 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2868430 0.5000013 -0.0000000), wk = 0.0020921 k( 76) = ( 0.2743715 0.5000013 -0.0000000), wk = 0.0020921 k( 77) = ( 0.2619001 0.5000013 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2494287 0.5000013 -0.0000000), wk = 0.0020921 k( 79) = ( 0.2369572 0.5000013 -0.0000000), wk = 0.0020921 k( 80) = ( 0.2244858 0.5000013 -0.0000000), wk = 0.0020921 k( 81) = ( 0.2120144 0.5000013 -0.0000000), wk = 0.0020921 k( 82) = ( 0.1995429 0.5000013 -0.0000000), wk = 0.0020921 k( 83) = ( 0.1870715 0.5000013 -0.0000000), wk = 0.0020921 k( 84) = ( 0.1746001 0.5000013 -0.0000000), wk = 0.0020921 k( 85) = ( 0.1621286 0.5000013 -0.0000000), wk = 0.0020921 k( 86) = ( 0.1496572 0.5000013 -0.0000000), wk = 0.0020921 k( 87) = ( 0.1371858 0.5000013 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1247143 0.5000013 -0.0000000), wk = 0.0020921 k( 89) = ( 0.1122429 0.5000013 -0.0000000), wk = 0.0020921 k( 90) = ( 0.0997715 0.5000013 -0.0000000), wk = 0.0020921 k( 91) = ( 0.0873000 0.5000013 -0.0000000), wk = 0.0020921 k( 92) = ( 0.0748286 0.5000013 -0.0000000), wk = 0.0020921 k( 93) = ( 0.0623572 0.5000013 -0.0000000), wk = 0.0020921 k( 94) = ( 0.0498857 0.5000013 -0.0000000), wk = 0.0020921 k( 95) = ( 0.0374143 0.5000013 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249429 0.5000013 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124714 0.5000013 -0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000013 -0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000013 -0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000013 0.0125726), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000013 0.0251453), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000013 0.0377179), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000013 0.0502906), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000013 0.0628632), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000013 0.0754358), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000013 0.0880085), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000013 0.1005811), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000013 0.1131538), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000013 0.1257264), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000013 0.1382991), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000013 0.1508717), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000013 0.1634443), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000013 0.1760170), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000013 0.1885896), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000013 0.2011623), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000013 0.2137349), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000013 0.2263075), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000013 0.2388802), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000013 0.2514528), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000013 0.2640255), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000013 0.2765981), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000013 0.2891708), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000013 0.3017434), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000013 0.3143160), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000013 0.3268887), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000013 0.3394613), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000013 0.3520340), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000013 0.3646066), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000013 0.3771792), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000013 0.3897519), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000013 0.4023245), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000013 0.4148972), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000013 0.4274698), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000013 0.4400425), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000013 0.4526151), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000013 0.4651877), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000013 0.4777604), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000013 0.4903330), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000013 0.5029057), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000013 0.5029057), wk = 0.0020921 k( 141) = ( 0.0124714 0.5000013 0.5029057), wk = 0.0020921 k( 142) = ( 0.0249429 0.5000013 0.5029057), wk = 0.0020921 k( 143) = ( 0.0374143 0.5000013 0.5029057), wk = 0.0020921 k( 144) = ( 0.0498857 0.5000013 0.5029057), wk = 0.0020921 k( 145) = ( 0.0623572 0.5000013 0.5029057), wk = 0.0020921 k( 146) = ( 0.0748286 0.5000013 0.5029057), wk = 0.0020921 k( 147) = ( 0.0873000 0.5000013 0.5029057), wk = 0.0020921 k( 148) = ( 0.0997715 0.5000013 0.5029057), wk = 0.0020921 k( 149) = ( 0.1122429 0.5000013 0.5029057), wk = 0.0020921 k( 150) = ( 0.1247143 0.5000013 0.5029057), wk = 0.0020921 k( 151) = ( 0.1371858 0.5000013 0.5029057), wk = 0.0020921 k( 152) = ( 0.1496572 0.5000013 0.5029057), wk = 0.0020921 k( 153) = ( 0.1621286 0.5000013 0.5029057), wk = 0.0020921 k( 154) = ( 0.1746001 0.5000013 0.5029057), wk = 0.0020921 k( 155) = ( 0.1870715 0.5000013 0.5029057), wk = 0.0020921 k( 156) = ( 0.1995429 0.5000013 0.5029057), wk = 0.0020921 k( 157) = ( 0.2120144 0.5000013 0.5029057), wk = 0.0020921 k( 158) = ( 0.2244858 0.5000013 0.5029057), wk = 0.0020921 k( 159) = ( 0.2369572 0.5000013 0.5029057), wk = 0.0020921 k( 160) = ( 0.2494287 0.5000013 0.5029057), wk = 0.0020921 k( 161) = ( 0.2619001 0.5000013 0.5029057), wk = 0.0020921 k( 162) = ( 0.2743715 0.5000013 0.5029057), wk = 0.0020921 k( 163) = ( 0.2868430 0.5000013 0.5029057), wk = 0.0020921 k( 164) = ( 0.2993144 0.5000013 0.5029057), wk = 0.0020921 k( 165) = ( 0.3117858 0.5000013 0.5029057), wk = 0.0020921 k( 166) = ( 0.3242573 0.5000013 0.5029057), wk = 0.0020921 k( 167) = ( 0.3367287 0.5000013 0.5029057), wk = 0.0020921 k( 168) = ( 0.3492001 0.5000013 0.5029057), wk = 0.0020921 k( 169) = ( 0.3616716 0.5000013 0.5029057), wk = 0.0020921 k( 170) = ( 0.3741430 0.5000013 0.5029057), wk = 0.0020921 k( 171) = ( 0.3866144 0.5000013 0.5029057), wk = 0.0020921 k( 172) = ( 0.3990859 0.5000013 0.5029057), wk = 0.0020921 k( 173) = ( 0.4115573 0.5000013 0.5029057), wk = 0.0020921 k( 174) = ( 0.4240287 0.5000013 0.5029057), wk = 0.0020921 k( 175) = ( 0.4365002 0.5000013 0.5029057), wk = 0.0020921 k( 176) = ( 0.4489716 0.5000013 0.5029057), wk = 0.0020921 k( 177) = ( 0.4614430 0.5000013 0.5029057), wk = 0.0020921 k( 178) = ( 0.4739145 0.5000013 0.5029057), wk = 0.0020921 k( 179) = ( 0.4863859 0.5000013 0.5029057), wk = 0.0020921 k( 180) = ( 0.4988573 0.5000013 0.5029057), wk = 0.0020921 k( 181) = ( 0.4988573 0.5000013 0.5029057), wk = 0.0020921 k( 182) = ( 0.4899492 0.4910727 0.5029057), wk = 0.0020921 k( 183) = ( 0.4810410 0.4821441 0.5029057), wk = 0.0020921 k( 184) = ( 0.4721328 0.4732155 0.5029057), wk = 0.0020921 k( 185) = ( 0.4632247 0.4642869 0.5029057), wk = 0.0020921 k( 186) = ( 0.4543165 0.4553583 0.5029057), wk = 0.0020921 k( 187) = ( 0.4454083 0.4464297 0.5029057), wk = 0.0020921 k( 188) = ( 0.4365002 0.4375012 0.5029057), wk = 0.0020921 k( 189) = ( 0.4275920 0.4285726 0.5029057), wk = 0.0020921 k( 190) = ( 0.4186838 0.4196440 0.5029057), wk = 0.0020921 k( 191) = ( 0.4097757 0.4107154 0.5029057), wk = 0.0020921 k( 192) = ( 0.4008675 0.4017868 0.5029057), wk = 0.0020921 k( 193) = ( 0.3919593 0.3928582 0.5029057), wk = 0.0020921 k( 194) = ( 0.3830512 0.3839296 0.5029057), wk = 0.0020921 k( 195) = ( 0.3741430 0.3750010 0.5029057), wk = 0.0020921 k( 196) = ( 0.3652348 0.3660724 0.5029057), wk = 0.0020921 k( 197) = ( 0.3563267 0.3571438 0.5029057), wk = 0.0020921 k( 198) = ( 0.3474185 0.3482152 0.5029057), wk = 0.0020921 k( 199) = ( 0.3385103 0.3392866 0.5029057), wk = 0.0020921 k( 200) = ( 0.3296022 0.3303580 0.5029057), wk = 0.0020921 k( 201) = ( 0.3206940 0.3214294 0.5029057), wk = 0.0020921 k( 202) = ( 0.3117858 0.3125008 0.5029057), wk = 0.0020921 k( 203) = ( 0.3028777 0.3035722 0.5029057), wk = 0.0020921 k( 204) = ( 0.2939695 0.2946436 0.5029057), wk = 0.0020921 k( 205) = ( 0.2850613 0.2857150 0.5029057), wk = 0.0020921 k( 206) = ( 0.2761532 0.2767864 0.5029057), wk = 0.0020921 k( 207) = ( 0.2672450 0.2678578 0.5029057), wk = 0.0020921 k( 208) = ( 0.2583368 0.2589293 0.5029057), wk = 0.0020921 k( 209) = ( 0.2494287 0.2500007 0.5029057), wk = 0.0020921 k( 210) = ( 0.2405205 0.2410721 0.5029057), wk = 0.0020921 k( 211) = ( 0.2316123 0.2321435 0.5029057), wk = 0.0020921 k( 212) = ( 0.2227042 0.2232149 0.5029057), wk = 0.0020921 k( 213) = ( 0.2137960 0.2142863 0.5029057), wk = 0.0020921 k( 214) = ( 0.2048878 0.2053577 0.5029057), wk = 0.0020921 k( 215) = ( 0.1959797 0.1964291 0.5029057), wk = 0.0020921 k( 216) = ( 0.1870715 0.1875005 0.5029057), wk = 0.0020921 k( 217) = ( 0.1781633 0.1785719 0.5029057), wk = 0.0020921 k( 218) = ( 0.1692552 0.1696433 0.5029057), wk = 0.0020921 k( 219) = ( 0.1603470 0.1607147 0.5029057), wk = 0.0020921 k( 220) = ( 0.1514388 0.1517861 0.5029057), wk = 0.0020921 k( 221) = ( 0.1425307 0.1428575 0.5029057), wk = 0.0020921 k( 222) = ( 0.1336225 0.1339289 0.5029057), wk = 0.0020921 k( 223) = ( 0.1247143 0.1250003 0.5029057), wk = 0.0020921 k( 224) = ( 0.1158062 0.1160717 0.5029057), wk = 0.0020921 k( 225) = ( 0.1068980 0.1071431 0.5029057), wk = 0.0020921 k( 226) = ( 0.0979898 0.0982145 0.5029057), wk = 0.0020921 k( 227) = ( 0.0890817 0.0892859 0.5029057), wk = 0.0020921 k( 228) = ( 0.0801735 0.0803574 0.5029057), wk = 0.0020921 k( 229) = ( 0.0712653 0.0714288 0.5029057), wk = 0.0020921 k( 230) = ( 0.0623572 0.0625002 0.5029057), wk = 0.0020921 k( 231) = ( 0.0534490 0.0535716 0.5029057), wk = 0.0020921 k( 232) = ( 0.0445408 0.0446430 0.5029057), wk = 0.0020921 k( 233) = ( 0.0356327 0.0357144 0.5029057), wk = 0.0020921 k( 234) = ( 0.0267245 0.0267858 0.5029057), wk = 0.0020921 k( 235) = ( 0.0178163 0.0178572 0.5029057), wk = 0.0020921 k( 236) = ( 0.0089082 0.0089286 0.5029057), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5029057), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5029057), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4903330), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4777604), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4651877), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4526151), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4400425), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4274698), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4148972), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4023245), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3897519), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3771792), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3646066), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3520340), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3394613), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3268887), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3143160), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3017434), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2891708), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2765981), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2640255), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2514528), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2388802), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2263075), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2137349), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2011623), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1885896), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1760170), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1634443), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1508717), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1382991), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1257264), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1131538), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1005811), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0880085), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0754358), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0628632), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0502906), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0377179), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0251453), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125726), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089081 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178163 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267244 0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0356326 0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0445407 0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0534489 0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0623570 0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0712651 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0801733 0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0890814 0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0979896 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1068977 0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1158059 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1247140 0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1336222 0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1425303 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1514384 0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1603466 0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1692547 0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1781629 0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1870710 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1959792 0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2048873 0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2137954 0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2227036 0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2316117 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2405199 0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2494280 0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2583362 0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2672443 0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2761524 0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2850606 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2939687 0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3028769 0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3117850 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3206932 0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3296013 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3385094 0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3474176 0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3563257 0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3652339 0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3741420 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3830502 0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3919583 0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4008665 0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4097746 0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4186827 0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4275909 0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4364990 0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4454072 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4543153 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4632235 0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4721316 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4810398 0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4899479 0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.4988560 0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.4988560 0.0000000), wk = 0.0020921 k( 337) = ( -0.4988573 0.5000013 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4988573 0.5000013 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4988573 0.5000013 0.0125726), wk = 0.0020921 k( 340) = ( -0.4988573 0.5000013 0.0251453), wk = 0.0020921 k( 341) = ( -0.4988573 0.5000013 0.0377179), wk = 0.0020921 k( 342) = ( -0.4988573 0.5000013 0.0502906), wk = 0.0020921 k( 343) = ( -0.4988573 0.5000013 0.0628632), wk = 0.0020921 k( 344) = ( -0.4988573 0.5000013 0.0754358), wk = 0.0020921 k( 345) = ( -0.4988573 0.5000013 0.0880085), wk = 0.0020921 k( 346) = ( -0.4988573 0.5000013 0.1005811), wk = 0.0020921 k( 347) = ( -0.4988573 0.5000013 0.1131538), wk = 0.0020921 k( 348) = ( -0.4988573 0.5000013 0.1257264), wk = 0.0020921 k( 349) = ( -0.4988573 0.5000013 0.1382991), wk = 0.0020921 k( 350) = ( -0.4988573 0.5000013 0.1508717), wk = 0.0020921 k( 351) = ( -0.4988573 0.5000013 0.1634443), wk = 0.0020921 k( 352) = ( -0.4988573 0.5000013 0.1760170), wk = 0.0020921 k( 353) = ( -0.4988573 0.5000013 0.1885896), wk = 0.0020921 k( 354) = ( -0.4988573 0.5000013 0.2011623), wk = 0.0020921 k( 355) = ( -0.4988573 0.5000013 0.2137349), wk = 0.0020921 k( 356) = ( -0.4988573 0.5000013 0.2263075), wk = 0.0020921 k( 357) = ( -0.4988573 0.5000013 0.2388802), wk = 0.0020921 k( 358) = ( -0.4988573 0.5000013 0.2514528), wk = 0.0020921 k( 359) = ( -0.4988573 0.5000013 0.2640255), wk = 0.0020921 k( 360) = ( -0.4988573 0.5000013 0.2765981), wk = 0.0020921 k( 361) = ( -0.4988573 0.5000013 0.2891708), wk = 0.0020921 k( 362) = ( -0.4988573 0.5000013 0.3017434), wk = 0.0020921 k( 363) = ( -0.4988573 0.5000013 0.3143160), wk = 0.0020921 k( 364) = ( -0.4988573 0.5000013 0.3268887), wk = 0.0020921 k( 365) = ( -0.4988573 0.5000013 0.3394613), wk = 0.0020921 k( 366) = ( -0.4988573 0.5000013 0.3520340), wk = 0.0020921 k( 367) = ( -0.4988573 0.5000013 0.3646066), wk = 0.0020921 k( 368) = ( -0.4988573 0.5000013 0.3771792), wk = 0.0020921 k( 369) = ( -0.4988573 0.5000013 0.3897519), wk = 0.0020921 k( 370) = ( -0.4988573 0.5000013 0.4023245), wk = 0.0020921 k( 371) = ( -0.4988573 0.5000013 0.4148972), wk = 0.0020921 k( 372) = ( -0.4988573 0.5000013 0.4274698), wk = 0.0020921 k( 373) = ( -0.4988573 0.5000013 0.4400425), wk = 0.0020921 k( 374) = ( -0.4988573 0.5000013 0.4526151), wk = 0.0020921 k( 375) = ( -0.4988573 0.5000013 0.4651877), wk = 0.0020921 k( 376) = ( -0.4988573 0.5000013 0.4777604), wk = 0.0020921 k( 377) = ( -0.4988573 0.5000013 0.4903330), wk = 0.0020921 k( 378) = ( -0.4988573 0.5000013 0.5029057), wk = 0.0020921 k( 379) = ( -0.4988573 0.5000013 0.5029057), wk = 0.0020921 k( 380) = ( -0.5000000 0.4988560 0.5029057), wk = 0.0020921 k( 381) = ( -0.5000000 0.4988560 0.5029057), wk = 0.0020921 k( 382) = ( -0.5000000 0.4988560 0.4903330), wk = 0.0020921 k( 383) = ( -0.5000000 0.4988560 0.4777604), wk = 0.0020921 k( 384) = ( -0.5000000 0.4988560 0.4651877), wk = 0.0020921 k( 385) = ( -0.5000000 0.4988560 0.4526151), wk = 0.0020921 k( 386) = ( -0.5000000 0.4988560 0.4400425), wk = 0.0020921 k( 387) = ( -0.5000000 0.4988560 0.4274698), wk = 0.0020921 k( 388) = ( -0.5000000 0.4988560 0.4148972), wk = 0.0020921 k( 389) = ( -0.5000000 0.4988560 0.4023245), wk = 0.0020921 k( 390) = ( -0.5000000 0.4988560 0.3897519), wk = 0.0020921 k( 391) = ( -0.5000000 0.4988560 0.3771792), wk = 0.0020921 k( 392) = ( -0.5000000 0.4988560 0.3646066), wk = 0.0020921 k( 393) = ( -0.5000000 0.4988560 0.3520340), wk = 0.0020921 k( 394) = ( -0.5000000 0.4988560 0.3394613), wk = 0.0020921 k( 395) = ( -0.5000000 0.4988560 0.3268887), wk = 0.0020921 k( 396) = ( -0.5000000 0.4988560 0.3143160), wk = 0.0020921 k( 397) = ( -0.5000000 0.4988560 0.3017434), wk = 0.0020921 k( 398) = ( -0.5000000 0.4988560 0.2891708), wk = 0.0020921 k( 399) = ( -0.5000000 0.4988560 0.2765981), wk = 0.0020921 k( 400) = ( -0.5000000 0.4988560 0.2640255), wk = 0.0020921 k( 401) = ( -0.5000000 0.4988560 0.2514528), wk = 0.0020921 k( 402) = ( -0.5000000 0.4988560 0.2388802), wk = 0.0020921 k( 403) = ( -0.5000000 0.4988560 0.2263075), wk = 0.0020921 k( 404) = ( -0.5000000 0.4988560 0.2137349), wk = 0.0020921 k( 405) = ( -0.5000000 0.4988560 0.2011623), wk = 0.0020921 k( 406) = ( -0.5000000 0.4988560 0.1885896), wk = 0.0020921 k( 407) = ( -0.5000000 0.4988560 0.1760170), wk = 0.0020921 k( 408) = ( -0.5000000 0.4988560 0.1634443), wk = 0.0020921 k( 409) = ( -0.5000000 0.4988560 0.1508717), wk = 0.0020921 k( 410) = ( -0.5000000 0.4988560 0.1382991), wk = 0.0020921 k( 411) = ( -0.5000000 0.4988560 0.1257264), wk = 0.0020921 k( 412) = ( -0.5000000 0.4988560 0.1131538), wk = 0.0020921 k( 413) = ( -0.5000000 0.4988560 0.1005811), wk = 0.0020921 k( 414) = ( -0.5000000 0.4988560 0.0880085), wk = 0.0020921 k( 415) = ( -0.5000000 0.4988560 0.0754358), wk = 0.0020921 k( 416) = ( -0.5000000 0.4988560 0.0628632), wk = 0.0020921 k( 417) = ( -0.5000000 0.4988560 0.0502906), wk = 0.0020921 k( 418) = ( -0.5000000 0.4988560 0.0377179), wk = 0.0020921 k( 419) = ( -0.5000000 0.4988560 0.0251453), wk = 0.0020921 k( 420) = ( -0.5000000 0.4988560 0.0125726), wk = 0.0020921 k( 421) = ( -0.5000000 0.4988560 0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5029057), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089081 0.5029057), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178163 0.5029057), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267244 0.5029057), wk = 0.0020921 k( 426) = ( -0.0357143 0.0356326 0.5029057), wk = 0.0020921 k( 427) = ( -0.0446429 0.0445407 0.5029057), wk = 0.0020921 k( 428) = ( -0.0535714 0.0534489 0.5029057), wk = 0.0020921 k( 429) = ( -0.0625000 0.0623570 0.5029057), wk = 0.0020921 k( 430) = ( -0.0714286 0.0712651 0.5029057), wk = 0.0020921 k( 431) = ( -0.0803571 0.0801733 0.5029057), wk = 0.0020921 k( 432) = ( -0.0892857 0.0890814 0.5029057), wk = 0.0020921 k( 433) = ( -0.0982143 0.0979896 0.5029057), wk = 0.0020921 k( 434) = ( -0.1071429 0.1068977 0.5029057), wk = 0.0020921 k( 435) = ( -0.1160714 0.1158059 0.5029057), wk = 0.0020921 k( 436) = ( -0.1250000 0.1247140 0.5029057), wk = 0.0020921 k( 437) = ( -0.1339286 0.1336222 0.5029057), wk = 0.0020921 k( 438) = ( -0.1428571 0.1425303 0.5029057), wk = 0.0020921 k( 439) = ( -0.1517857 0.1514384 0.5029057), wk = 0.0020921 k( 440) = ( -0.1607143 0.1603466 0.5029057), wk = 0.0020921 k( 441) = ( -0.1696429 0.1692547 0.5029057), wk = 0.0020921 k( 442) = ( -0.1785714 0.1781629 0.5029057), wk = 0.0020921 k( 443) = ( -0.1875000 0.1870710 0.5029057), wk = 0.0020921 k( 444) = ( -0.1964286 0.1959792 0.5029057), wk = 0.0020921 k( 445) = ( -0.2053571 0.2048873 0.5029057), wk = 0.0020921 k( 446) = ( -0.2142857 0.2137954 0.5029057), wk = 0.0020921 k( 447) = ( -0.2232143 0.2227036 0.5029057), wk = 0.0020921 k( 448) = ( -0.2321429 0.2316117 0.5029057), wk = 0.0020921 k( 449) = ( -0.2410714 0.2405199 0.5029057), wk = 0.0020921 k( 450) = ( -0.2500000 0.2494280 0.5029057), wk = 0.0020921 k( 451) = ( -0.2589286 0.2583362 0.5029057), wk = 0.0020921 k( 452) = ( -0.2678571 0.2672443 0.5029057), wk = 0.0020921 k( 453) = ( -0.2767857 0.2761524 0.5029057), wk = 0.0020921 k( 454) = ( -0.2857143 0.2850606 0.5029057), wk = 0.0020921 k( 455) = ( -0.2946429 0.2939687 0.5029057), wk = 0.0020921 k( 456) = ( -0.3035714 0.3028769 0.5029057), wk = 0.0020921 k( 457) = ( -0.3125000 0.3117850 0.5029057), wk = 0.0020921 k( 458) = ( -0.3214286 0.3206932 0.5029057), wk = 0.0020921 k( 459) = ( -0.3303571 0.3296013 0.5029057), wk = 0.0020921 k( 460) = ( -0.3392857 0.3385094 0.5029057), wk = 0.0020921 k( 461) = ( -0.3482143 0.3474176 0.5029057), wk = 0.0020921 k( 462) = ( -0.3571429 0.3563257 0.5029057), wk = 0.0020921 k( 463) = ( -0.3660714 0.3652339 0.5029057), wk = 0.0020921 k( 464) = ( -0.3750000 0.3741420 0.5029057), wk = 0.0020921 k( 465) = ( -0.3839286 0.3830502 0.5029057), wk = 0.0020921 k( 466) = ( -0.3928571 0.3919583 0.5029057), wk = 0.0020921 k( 467) = ( -0.4017857 0.4008665 0.5029057), wk = 0.0020921 k( 468) = ( -0.4107143 0.4097746 0.5029057), wk = 0.0020921 k( 469) = ( -0.4196429 0.4186827 0.5029057), wk = 0.0020921 k( 470) = ( -0.4285714 0.4275909 0.5029057), wk = 0.0020921 k( 471) = ( -0.4375000 0.4364990 0.5029057), wk = 0.0020921 k( 472) = ( -0.4464286 0.4454072 0.5029057), wk = 0.0020921 k( 473) = ( -0.4553571 0.4543153 0.5029057), wk = 0.0020921 k( 474) = ( -0.4642857 0.4632235 0.5029057), wk = 0.0020921 k( 475) = ( -0.4732143 0.4721316 0.5029057), wk = 0.0020921 k( 476) = ( -0.4821429 0.4810398 0.5029057), wk = 0.0020921 k( 477) = ( -0.4910714 0.4899479 0.5029057), wk = 0.0020921 k( 478) = ( -0.5000000 0.4988560 0.5029057), wk = 0.0020921 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 2) = ( 0.0089082 0.0089082 0.0000000), wk = 0.0020921 k( 3) = ( 0.0178163 0.0178163 0.0000000), wk = 0.0020921 k( 4) = ( 0.0267245 0.0267245 0.0000000), wk = 0.0020921 k( 5) = ( 0.0356327 0.0356327 0.0000000), wk = 0.0020921 k( 6) = ( 0.0445408 0.0445408 0.0000000), wk = 0.0020921 k( 7) = ( 0.0534490 0.0534490 0.0000000), wk = 0.0020921 k( 8) = ( 0.0623572 0.0623572 0.0000000), wk = 0.0020921 k( 9) = ( 0.0712653 0.0712653 0.0000000), wk = 0.0020921 k( 10) = ( 0.0801735 0.0801735 -0.0000000), wk = 0.0020921 k( 11) = ( 0.0890817 0.0890817 0.0000000), wk = 0.0020921 k( 12) = ( 0.0979898 0.0979898 0.0000000), wk = 0.0020921 k( 13) = ( 0.1068980 0.1068980 0.0000000), wk = 0.0020921 k( 14) = ( 0.1158062 0.1158062 0.0000000), wk = 0.0020921 k( 15) = ( 0.1247143 0.1247143 0.0000000), wk = 0.0020921 k( 16) = ( 0.1336225 0.1336225 0.0000000), wk = 0.0020921 k( 17) = ( 0.1425307 0.1425307 0.0000000), wk = 0.0020921 k( 18) = ( 0.1514388 0.1514388 0.0000000), wk = 0.0020921 k( 19) = ( 0.1603470 0.1603470 -0.0000000), wk = 0.0020921 k( 20) = ( 0.1692552 0.1692552 0.0000000), wk = 0.0020921 k( 21) = ( 0.1781633 0.1781633 0.0000000), wk = 0.0020921 k( 22) = ( 0.1870715 0.1870715 0.0000000), wk = 0.0020921 k( 23) = ( 0.1959797 0.1959797 0.0000000), wk = 0.0020921 k( 24) = ( 0.2048878 0.2048878 0.0000000), wk = 0.0020921 k( 25) = ( 0.2137960 0.2137960 -0.0000000), wk = 0.0020921 k( 26) = ( 0.2227042 0.2227042 -0.0000000), wk = 0.0020921 k( 27) = ( 0.2316123 0.2316123 0.0000000), wk = 0.0020921 k( 28) = ( 0.2405205 0.2405205 0.0000000), wk = 0.0020921 k( 29) = ( 0.2494287 0.2494287 0.0000000), wk = 0.0020921 k( 30) = ( 0.2583368 0.2583368 0.0000000), wk = 0.0020921 k( 31) = ( 0.2672450 0.2672450 0.0000000), wk = 0.0020921 k( 32) = ( 0.2761532 0.2761532 0.0000000), wk = 0.0020921 k( 33) = ( 0.2850613 0.2850613 0.0000000), wk = 0.0020921 k( 34) = ( 0.2939695 0.2939695 0.0000000), wk = 0.0020921 k( 35) = ( 0.3028777 0.3028777 0.0000000), wk = 0.0020921 k( 36) = ( 0.3117858 0.3117858 0.0000000), wk = 0.0020921 k( 37) = ( 0.3206940 0.3206940 0.0000000), wk = 0.0020921 k( 38) = ( 0.3296022 0.3296022 -0.0000000), wk = 0.0020921 k( 39) = ( 0.3385103 0.3385103 0.0000000), wk = 0.0020921 k( 40) = ( 0.3474185 0.3474185 0.0000000), wk = 0.0020921 k( 41) = ( 0.3563267 0.3563267 0.0000000), wk = 0.0020921 k( 42) = ( 0.3652348 0.3652348 0.0000000), wk = 0.0020921 k( 43) = ( 0.3741430 0.3741430 0.0000000), wk = 0.0020921 k( 44) = ( 0.3830512 0.3830512 -0.0000000), wk = 0.0020921 k( 45) = ( 0.3919593 0.3919593 0.0000000), wk = 0.0020921 k( 46) = ( 0.4008675 0.4008675 0.0000000), wk = 0.0020921 k( 47) = ( 0.4097757 0.4097757 0.0000000), wk = 0.0020921 k( 48) = ( 0.4186838 0.4186838 0.0000000), wk = 0.0020921 k( 49) = ( 0.4275920 0.4275920 0.0000000), wk = 0.0020921 k( 50) = ( 0.4365002 0.4365002 0.0000000), wk = 0.0020921 k( 51) = ( 0.4454083 0.4454083 -0.0000000), wk = 0.0020921 k( 52) = ( 0.4543165 0.4543165 -0.0000000), wk = 0.0020921 k( 53) = ( 0.4632247 0.4632247 0.0000000), wk = 0.0020921 k( 54) = ( 0.4721328 0.4721328 0.0000000), wk = 0.0020921 k( 55) = ( 0.4810410 0.4810410 0.0000000), wk = 0.0020921 k( 56) = ( 0.4899492 0.4899492 0.0000000), wk = 0.0020921 k( 57) = ( 0.4988573 0.4988573 0.0000000), wk = 0.0020921 k( 58) = ( 0.4988573 0.4988573 0.0000000), wk = 0.0020921 k( 59) = ( 0.4863859 0.4988859 0.0000000), wk = 0.0020921 k( 60) = ( 0.4739145 0.4989145 -0.0000000), wk = 0.0020921 k( 61) = ( 0.4614430 0.4989430 0.0000000), wk = 0.0020921 k( 62) = ( 0.4489716 0.4989716 0.0000000), wk = 0.0020921 k( 63) = ( 0.4365002 0.4990002 -0.0000000), wk = 0.0020921 k( 64) = ( 0.4240287 0.4990287 -0.0000000), wk = 0.0020921 k( 65) = ( 0.4115573 0.4990573 -0.0000000), wk = 0.0020921 k( 66) = ( 0.3990859 0.4990859 0.0000000), wk = 0.0020921 k( 67) = ( 0.3866144 0.4991144 0.0000000), wk = 0.0020921 k( 68) = ( 0.3741430 0.4991430 0.0000000), wk = 0.0020921 k( 69) = ( 0.3616716 0.4991716 0.0000000), wk = 0.0020921 k( 70) = ( 0.3492001 0.4992001 -0.0000000), wk = 0.0020921 k( 71) = ( 0.3367287 0.4992287 0.0000000), wk = 0.0020921 k( 72) = ( 0.3242573 0.4992573 0.0000000), wk = 0.0020921 k( 73) = ( 0.3117858 0.4992858 0.0000000), wk = 0.0020921 k( 74) = ( 0.2993144 0.4993144 -0.0000000), wk = 0.0020921 k( 75) = ( 0.2868430 0.4993430 0.0000000), wk = 0.0020921 k( 76) = ( 0.2743715 0.4993715 0.0000000), wk = 0.0020921 k( 77) = ( 0.2619001 0.4994001 -0.0000000), wk = 0.0020921 k( 78) = ( 0.2494287 0.4994287 0.0000000), wk = 0.0020921 k( 79) = ( 0.2369572 0.4994572 0.0000000), wk = 0.0020921 k( 80) = ( 0.2244858 0.4994858 0.0000000), wk = 0.0020921 k( 81) = ( 0.2120144 0.4995144 0.0000000), wk = 0.0020921 k( 82) = ( 0.1995429 0.4995429 0.0000000), wk = 0.0020921 k( 83) = ( 0.1870715 0.4995715 0.0000000), wk = 0.0020921 k( 84) = ( 0.1746001 0.4996001 0.0000000), wk = 0.0020921 k( 85) = ( 0.1621286 0.4996286 0.0000000), wk = 0.0020921 k( 86) = ( 0.1496572 0.4996572 0.0000000), wk = 0.0020921 k( 87) = ( 0.1371858 0.4996858 -0.0000000), wk = 0.0020921 k( 88) = ( 0.1247143 0.4997143 0.0000000), wk = 0.0020921 k( 89) = ( 0.1122429 0.4997429 0.0000000), wk = 0.0020921 k( 90) = ( 0.0997715 0.4997715 0.0000000), wk = 0.0020921 k( 91) = ( 0.0873000 0.4998000 0.0000000), wk = 0.0020921 k( 92) = ( 0.0748286 0.4998286 0.0000000), wk = 0.0020921 k( 93) = ( 0.0623572 0.4998572 0.0000000), wk = 0.0020921 k( 94) = ( 0.0498857 0.4998857 0.0000000), wk = 0.0020921 k( 95) = ( 0.0374143 0.4999143 -0.0000000), wk = 0.0020921 k( 96) = ( 0.0249429 0.4999429 -0.0000000), wk = 0.0020921 k( 97) = ( 0.0124714 0.4999714 0.0000000), wk = 0.0020921 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 99) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020921 k( 100) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0020921 k( 101) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0020921 k( 102) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0020921 k( 103) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0020921 k( 104) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0020921 k( 105) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0020921 k( 106) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0020921 k( 107) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020921 k( 108) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0020921 k( 109) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020921 k( 110) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0020921 k( 111) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0020921 k( 112) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0020921 k( 113) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0020921 k( 114) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0020921 k( 115) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020921 k( 116) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0020921 k( 117) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0020921 k( 118) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0020921 k( 119) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020921 k( 120) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0020921 k( 121) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0020921 k( 122) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0020921 k( 123) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020921 k( 124) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0020921 k( 125) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0020921 k( 126) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0020921 k( 127) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0020921 k( 128) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0020921 k( 129) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020921 k( 130) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0020921 k( 131) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020921 k( 132) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0020921 k( 133) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0020921 k( 134) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0020921 k( 135) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0020921 k( 136) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0020921 k( 137) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0020921 k( 138) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0020921 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020921 k( 141) = ( 0.0124714 0.4999714 0.5000000), wk = 0.0020921 k( 142) = ( 0.0249429 0.4999429 0.5000000), wk = 0.0020921 k( 143) = ( 0.0374143 0.4999143 0.5000000), wk = 0.0020921 k( 144) = ( 0.0498857 0.4998857 0.5000000), wk = 0.0020921 k( 145) = ( 0.0623572 0.4998572 0.5000000), wk = 0.0020921 k( 146) = ( 0.0748286 0.4998286 0.5000000), wk = 0.0020921 k( 147) = ( 0.0873000 0.4998000 0.5000000), wk = 0.0020921 k( 148) = ( 0.0997715 0.4997715 0.5000000), wk = 0.0020921 k( 149) = ( 0.1122429 0.4997429 0.5000000), wk = 0.0020921 k( 150) = ( 0.1247143 0.4997143 0.5000000), wk = 0.0020921 k( 151) = ( 0.1371858 0.4996858 0.5000000), wk = 0.0020921 k( 152) = ( 0.1496572 0.4996572 0.5000000), wk = 0.0020921 k( 153) = ( 0.1621286 0.4996286 0.5000000), wk = 0.0020921 k( 154) = ( 0.1746001 0.4996001 0.5000000), wk = 0.0020921 k( 155) = ( 0.1870715 0.4995715 0.5000000), wk = 0.0020921 k( 156) = ( 0.1995429 0.4995429 0.5000000), wk = 0.0020921 k( 157) = ( 0.2120144 0.4995144 0.5000000), wk = 0.0020921 k( 158) = ( 0.2244858 0.4994858 0.5000000), wk = 0.0020921 k( 159) = ( 0.2369572 0.4994572 0.5000000), wk = 0.0020921 k( 160) = ( 0.2494287 0.4994287 0.5000000), wk = 0.0020921 k( 161) = ( 0.2619001 0.4994001 0.5000000), wk = 0.0020921 k( 162) = ( 0.2743715 0.4993715 0.5000000), wk = 0.0020921 k( 163) = ( 0.2868430 0.4993430 0.5000000), wk = 0.0020921 k( 164) = ( 0.2993144 0.4993144 0.5000000), wk = 0.0020921 k( 165) = ( 0.3117858 0.4992858 0.5000000), wk = 0.0020921 k( 166) = ( 0.3242573 0.4992573 0.5000000), wk = 0.0020921 k( 167) = ( 0.3367287 0.4992287 0.5000000), wk = 0.0020921 k( 168) = ( 0.3492001 0.4992001 0.5000000), wk = 0.0020921 k( 169) = ( 0.3616716 0.4991716 0.5000000), wk = 0.0020921 k( 170) = ( 0.3741430 0.4991430 0.5000000), wk = 0.0020921 k( 171) = ( 0.3866144 0.4991144 0.5000000), wk = 0.0020921 k( 172) = ( 0.3990859 0.4990859 0.5000000), wk = 0.0020921 k( 173) = ( 0.4115573 0.4990573 0.5000000), wk = 0.0020921 k( 174) = ( 0.4240287 0.4990287 0.5000000), wk = 0.0020921 k( 175) = ( 0.4365002 0.4990002 0.5000000), wk = 0.0020921 k( 176) = ( 0.4489716 0.4989716 0.5000000), wk = 0.0020921 k( 177) = ( 0.4614430 0.4989430 0.5000000), wk = 0.0020921 k( 178) = ( 0.4739145 0.4989145 0.5000000), wk = 0.0020921 k( 179) = ( 0.4863859 0.4988859 0.5000000), wk = 0.0020921 k( 180) = ( 0.4988573 0.4988573 0.5000000), wk = 0.0020921 k( 181) = ( 0.4988573 0.4988573 0.5000000), wk = 0.0020921 k( 182) = ( 0.4899492 0.4899492 0.5000000), wk = 0.0020921 k( 183) = ( 0.4810410 0.4810410 0.5000000), wk = 0.0020921 k( 184) = ( 0.4721328 0.4721328 0.5000000), wk = 0.0020921 k( 185) = ( 0.4632247 0.4632247 0.5000000), wk = 0.0020921 k( 186) = ( 0.4543165 0.4543165 0.5000000), wk = 0.0020921 k( 187) = ( 0.4454083 0.4454083 0.5000000), wk = 0.0020921 k( 188) = ( 0.4365002 0.4365002 0.5000000), wk = 0.0020921 k( 189) = ( 0.4275920 0.4275920 0.5000000), wk = 0.0020921 k( 190) = ( 0.4186838 0.4186838 0.5000000), wk = 0.0020921 k( 191) = ( 0.4097757 0.4097757 0.5000000), wk = 0.0020921 k( 192) = ( 0.4008675 0.4008675 0.5000000), wk = 0.0020921 k( 193) = ( 0.3919593 0.3919593 0.5000000), wk = 0.0020921 k( 194) = ( 0.3830512 0.3830512 0.5000000), wk = 0.0020921 k( 195) = ( 0.3741430 0.3741430 0.5000000), wk = 0.0020921 k( 196) = ( 0.3652348 0.3652348 0.5000000), wk = 0.0020921 k( 197) = ( 0.3563267 0.3563267 0.5000000), wk = 0.0020921 k( 198) = ( 0.3474185 0.3474185 0.5000000), wk = 0.0020921 k( 199) = ( 0.3385103 0.3385103 0.5000000), wk = 0.0020921 k( 200) = ( 0.3296022 0.3296022 0.5000000), wk = 0.0020921 k( 201) = ( 0.3206940 0.3206940 0.5000000), wk = 0.0020921 k( 202) = ( 0.3117858 0.3117858 0.5000000), wk = 0.0020921 k( 203) = ( 0.3028777 0.3028777 0.5000000), wk = 0.0020921 k( 204) = ( 0.2939695 0.2939695 0.5000000), wk = 0.0020921 k( 205) = ( 0.2850613 0.2850613 0.5000000), wk = 0.0020921 k( 206) = ( 0.2761532 0.2761532 0.5000000), wk = 0.0020921 k( 207) = ( 0.2672450 0.2672450 0.5000000), wk = 0.0020921 k( 208) = ( 0.2583368 0.2583368 0.5000000), wk = 0.0020921 k( 209) = ( 0.2494287 0.2494287 0.5000000), wk = 0.0020921 k( 210) = ( 0.2405205 0.2405205 0.5000000), wk = 0.0020921 k( 211) = ( 0.2316123 0.2316123 0.5000000), wk = 0.0020921 k( 212) = ( 0.2227042 0.2227042 0.5000000), wk = 0.0020921 k( 213) = ( 0.2137960 0.2137960 0.5000000), wk = 0.0020921 k( 214) = ( 0.2048878 0.2048878 0.5000000), wk = 0.0020921 k( 215) = ( 0.1959797 0.1959797 0.5000000), wk = 0.0020921 k( 216) = ( 0.1870715 0.1870715 0.5000000), wk = 0.0020921 k( 217) = ( 0.1781633 0.1781633 0.5000000), wk = 0.0020921 k( 218) = ( 0.1692552 0.1692552 0.5000000), wk = 0.0020921 k( 219) = ( 0.1603470 0.1603470 0.5000000), wk = 0.0020921 k( 220) = ( 0.1514388 0.1514388 0.5000000), wk = 0.0020921 k( 221) = ( 0.1425307 0.1425307 0.5000000), wk = 0.0020921 k( 222) = ( 0.1336225 0.1336225 0.5000000), wk = 0.0020921 k( 223) = ( 0.1247143 0.1247143 0.5000000), wk = 0.0020921 k( 224) = ( 0.1158062 0.1158062 0.5000000), wk = 0.0020921 k( 225) = ( 0.1068980 0.1068980 0.5000000), wk = 0.0020921 k( 226) = ( 0.0979898 0.0979898 0.5000000), wk = 0.0020921 k( 227) = ( 0.0890817 0.0890817 0.5000000), wk = 0.0020921 k( 228) = ( 0.0801735 0.0801735 0.5000000), wk = 0.0020921 k( 229) = ( 0.0712653 0.0712653 0.5000000), wk = 0.0020921 k( 230) = ( 0.0623572 0.0623572 0.5000000), wk = 0.0020921 k( 231) = ( 0.0534490 0.0534490 0.5000000), wk = 0.0020921 k( 232) = ( 0.0445408 0.0445408 0.5000000), wk = 0.0020921 k( 233) = ( 0.0356327 0.0356327 0.5000000), wk = 0.0020921 k( 234) = ( 0.0267245 0.0267245 0.5000000), wk = 0.0020921 k( 235) = ( 0.0178163 0.0178163 0.5000000), wk = 0.0020921 k( 236) = ( 0.0089082 0.0089082 0.5000000), wk = 0.0020921 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 239) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0020921 k( 240) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0020921 k( 241) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0020921 k( 242) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0020921 k( 243) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020921 k( 244) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0020921 k( 245) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0020921 k( 246) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020921 k( 247) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0020921 k( 248) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020921 k( 249) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0020921 k( 250) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0020921 k( 251) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0020921 k( 252) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0020921 k( 253) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020921 k( 254) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020921 k( 255) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0020921 k( 256) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0020921 k( 257) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0020921 k( 258) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020921 k( 259) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0020921 k( 260) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0020921 k( 261) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0020921 k( 262) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020921 k( 263) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020921 k( 264) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0020921 k( 265) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0020921 k( 266) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0020921 k( 267) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0020921 k( 268) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020921 k( 269) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0020921 k( 270) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020921 k( 271) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0020921 k( 272) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0020921 k( 273) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020921 k( 274) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0020921 k( 275) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0020921 k( 276) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0020921 k( 277) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0020921 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020921 k( 280) = ( -0.0089286 0.0089286 0.0000000), wk = 0.0020921 k( 281) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0020921 k( 282) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0020921 k( 283) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0020921 k( 284) = ( -0.0446429 0.0446429 -0.0000000), wk = 0.0020921 k( 285) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0020921 k( 286) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0020921 k( 287) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0020921 k( 288) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0020921 k( 289) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0020921 k( 290) = ( -0.0982143 0.0982143 0.0000000), wk = 0.0020921 k( 291) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0020921 k( 292) = ( -0.1160714 0.1160714 0.0000000), wk = 0.0020921 k( 293) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0020921 k( 294) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0020921 k( 295) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0020921 k( 296) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0020921 k( 297) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0020921 k( 298) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0020921 k( 299) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0020921 k( 300) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0020921 k( 301) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0020921 k( 302) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0020921 k( 303) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0020921 k( 304) = ( -0.2232143 0.2232143 -0.0000000), wk = 0.0020921 k( 305) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0020921 k( 306) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0020921 k( 307) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0020921 k( 308) = ( -0.2589286 0.2589286 -0.0000000), wk = 0.0020921 k( 309) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0020921 k( 310) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0020921 k( 311) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0020921 k( 312) = ( -0.2946429 0.2946429 -0.0000000), wk = 0.0020921 k( 313) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0020921 k( 314) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0020921 k( 315) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0020921 k( 316) = ( -0.3303571 0.3303571 0.0000000), wk = 0.0020921 k( 317) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0020921 k( 318) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0020921 k( 319) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0020921 k( 320) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0020921 k( 321) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0020921 k( 322) = ( -0.3839286 0.3839286 -0.0000000), wk = 0.0020921 k( 323) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0020921 k( 324) = ( -0.4017857 0.4017857 -0.0000000), wk = 0.0020921 k( 325) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0020921 k( 326) = ( -0.4196429 0.4196429 -0.0000000), wk = 0.0020921 k( 327) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0020921 k( 328) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0020921 k( 329) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0020921 k( 330) = ( -0.4553571 0.4553571 0.0000000), wk = 0.0020921 k( 331) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0020921 k( 332) = ( -0.4732143 0.4732143 0.0000000), wk = 0.0020921 k( 333) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0020921 k( 334) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0020921 k( 335) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 336) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 337) = ( -0.4988573 0.5011427 -0.0000000), wk = 0.0020921 k( 338) = ( -0.4988573 0.5011427 -0.0000000), wk = 0.0020921 k( 339) = ( -0.4988573 0.5011427 0.0125000), wk = 0.0020921 k( 340) = ( -0.4988573 0.5011427 0.0250000), wk = 0.0020921 k( 341) = ( -0.4988573 0.5011427 0.0375000), wk = 0.0020921 k( 342) = ( -0.4988573 0.5011427 0.0500000), wk = 0.0020921 k( 343) = ( -0.4988573 0.5011427 0.0625000), wk = 0.0020921 k( 344) = ( -0.4988573 0.5011427 0.0750000), wk = 0.0020921 k( 345) = ( -0.4988573 0.5011427 0.0875000), wk = 0.0020921 k( 346) = ( -0.4988573 0.5011427 0.1000000), wk = 0.0020921 k( 347) = ( -0.4988573 0.5011427 0.1125000), wk = 0.0020921 k( 348) = ( -0.4988573 0.5011427 0.1250000), wk = 0.0020921 k( 349) = ( -0.4988573 0.5011427 0.1375000), wk = 0.0020921 k( 350) = ( -0.4988573 0.5011427 0.1500000), wk = 0.0020921 k( 351) = ( -0.4988573 0.5011427 0.1625000), wk = 0.0020921 k( 352) = ( -0.4988573 0.5011427 0.1750000), wk = 0.0020921 k( 353) = ( -0.4988573 0.5011427 0.1875000), wk = 0.0020921 k( 354) = ( -0.4988573 0.5011427 0.2000000), wk = 0.0020921 k( 355) = ( -0.4988573 0.5011427 0.2125000), wk = 0.0020921 k( 356) = ( -0.4988573 0.5011427 0.2250000), wk = 0.0020921 k( 357) = ( -0.4988573 0.5011427 0.2375000), wk = 0.0020921 k( 358) = ( -0.4988573 0.5011427 0.2500000), wk = 0.0020921 k( 359) = ( -0.4988573 0.5011427 0.2625000), wk = 0.0020921 k( 360) = ( -0.4988573 0.5011427 0.2750000), wk = 0.0020921 k( 361) = ( -0.4988573 0.5011427 0.2875000), wk = 0.0020921 k( 362) = ( -0.4988573 0.5011427 0.3000000), wk = 0.0020921 k( 363) = ( -0.4988573 0.5011427 0.3125000), wk = 0.0020921 k( 364) = ( -0.4988573 0.5011427 0.3250000), wk = 0.0020921 k( 365) = ( -0.4988573 0.5011427 0.3375000), wk = 0.0020921 k( 366) = ( -0.4988573 0.5011427 0.3500000), wk = 0.0020921 k( 367) = ( -0.4988573 0.5011427 0.3625000), wk = 0.0020921 k( 368) = ( -0.4988573 0.5011427 0.3750000), wk = 0.0020921 k( 369) = ( -0.4988573 0.5011427 0.3875000), wk = 0.0020921 k( 370) = ( -0.4988573 0.5011427 0.4000000), wk = 0.0020921 k( 371) = ( -0.4988573 0.5011427 0.4125000), wk = 0.0020921 k( 372) = ( -0.4988573 0.5011427 0.4250000), wk = 0.0020921 k( 373) = ( -0.4988573 0.5011427 0.4375000), wk = 0.0020921 k( 374) = ( -0.4988573 0.5011427 0.4500000), wk = 0.0020921 k( 375) = ( -0.4988573 0.5011427 0.4625000), wk = 0.0020921 k( 376) = ( -0.4988573 0.5011427 0.4750000), wk = 0.0020921 k( 377) = ( -0.4988573 0.5011427 0.4875000), wk = 0.0020921 k( 378) = ( -0.4988573 0.5011427 0.5000000), wk = 0.0020921 k( 379) = ( -0.4988573 0.5011427 0.5000000), wk = 0.0020921 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 k( 382) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0020921 k( 383) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0020921 k( 384) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0020921 k( 385) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0020921 k( 386) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0020921 k( 387) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0020921 k( 388) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0020921 k( 389) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0020921 k( 390) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0020921 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0020921 k( 392) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0020921 k( 393) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0020921 k( 394) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0020921 k( 395) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0020921 k( 396) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0020921 k( 397) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0020921 k( 398) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0020921 k( 399) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0020921 k( 400) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0020921 k( 401) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020921 k( 402) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0020921 k( 403) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0020921 k( 404) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0020921 k( 405) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0020921 k( 406) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0020921 k( 407) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0020921 k( 408) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0020921 k( 409) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0020921 k( 410) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0020921 k( 411) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0020921 k( 412) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0020921 k( 413) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0020921 k( 414) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0020921 k( 415) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0020921 k( 416) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0020921 k( 417) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0020921 k( 418) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0020921 k( 419) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0020921 k( 420) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0020921 k( 421) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0020921 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020921 k( 423) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0020921 k( 424) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0020921 k( 425) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0020921 k( 426) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0020921 k( 427) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0020921 k( 428) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0020921 k( 429) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0020921 k( 430) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0020921 k( 431) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0020921 k( 432) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0020921 k( 433) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0020921 k( 434) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0020921 k( 435) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0020921 k( 436) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0020921 k( 437) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0020921 k( 438) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0020921 k( 439) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0020921 k( 440) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0020921 k( 441) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0020921 k( 442) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0020921 k( 443) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0020921 k( 444) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0020921 k( 445) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0020921 k( 446) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0020921 k( 447) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0020921 k( 448) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0020921 k( 449) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0020921 k( 450) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020921 k( 451) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0020921 k( 452) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0020921 k( 453) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0020921 k( 454) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0020921 k( 455) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0020921 k( 456) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0020921 k( 457) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0020921 k( 458) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0020921 k( 459) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0020921 k( 460) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0020921 k( 461) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0020921 k( 462) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0020921 k( 463) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0020921 k( 464) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0020921 k( 465) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0020921 k( 466) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0020921 k( 467) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0020921 k( 468) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0020921 k( 469) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0020921 k( 470) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0020921 k( 471) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0020921 k( 472) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0020921 k( 473) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0020921 k( 474) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0020921 k( 475) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0020921 k( 476) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0020921 k( 477) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0020921 k( 478) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020921 Dense grid: 101153 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22039 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 122, 48) NL pseudopotentials 0.10 Mb ( 61, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1080) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 122, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.2 secs Computing kpt #: 3 total cpu time spent up to now is 50.1 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.5 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.8 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.0 secs Computing kpt #: 7 total cpu time spent up to now is 61.8 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 65.2 secs Computing kpt #: 10 total cpu time spent up to now is 66.6 secs Computing kpt #: 11 total cpu time spent up to now is 68.5 secs Computing kpt #: 12 total cpu time spent up to now is 69.9 secs Computing kpt #: 13 total cpu time spent up to now is 71.6 secs Computing kpt #: 14 total cpu time spent up to now is 73.0 secs Computing kpt #: 15 total cpu time spent up to now is 74.7 secs Computing kpt #: 16 total cpu time spent up to now is 76.0 secs Computing kpt #: 17 total cpu time spent up to now is 77.3 secs Computing kpt #: 18 total cpu time spent up to now is 78.7 secs Computing kpt #: 19 total cpu time spent up to now is 80.0 secs Computing kpt #: 20 total cpu time spent up to now is 81.5 secs Computing kpt #: 21 total cpu time spent up to now is 82.9 secs Computing kpt #: 22 total cpu time spent up to now is 84.4 secs Computing kpt #: 23 total cpu time spent up to now is 85.7 secs Computing kpt #: 24 total cpu time spent up to now is 86.9 secs Computing kpt #: 25 total cpu time spent up to now is 88.1 secs Computing kpt #: 26 total cpu time spent up to now is 89.4 secs Computing kpt #: 27 total cpu time spent up to now is 90.6 secs Computing kpt #: 28 total cpu time spent up to now is 91.8 secs Computing kpt #: 29 total cpu time spent up to now is 93.1 secs Computing kpt #: 30 total cpu time spent up to now is 94.3 secs Computing kpt #: 31 total cpu time spent up to now is 95.6 secs Computing kpt #: 32 total cpu time spent up to now is 96.7 secs Computing kpt #: 33 total cpu time spent up to now is 98.1 secs Computing kpt #: 34 total cpu time spent up to now is 99.3 secs Computing kpt #: 35 total cpu time spent up to now is 100.5 secs Computing kpt #: 36 total cpu time spent up to now is 101.7 secs Computing kpt #: 37 total cpu time spent up to now is 103.0 secs Computing kpt #: 38 total cpu time spent up to now is 104.2 secs Computing kpt #: 39 total cpu time spent up to now is 105.4 secs Computing kpt #: 40 total cpu time spent up to now is 106.6 secs Computing kpt #: 41 total cpu time spent up to now is 107.8 secs Computing kpt #: 42 total cpu time spent up to now is 109.0 secs Computing kpt #: 43 total cpu time spent up to now is 110.3 secs Computing kpt #: 44 total cpu time spent up to now is 111.5 secs Computing kpt #: 45 total cpu time spent up to now is 112.7 secs Computing kpt #: 46 total cpu time spent up to now is 114.0 secs Computing kpt #: 47 total cpu time spent up to now is 115.2 secs Computing kpt #: 48 total cpu time spent up to now is 116.3 secs Computing kpt #: 49 total cpu time spent up to now is 117.3 secs Computing kpt #: 50 total cpu time spent up to now is 118.3 secs Computing kpt #: 51 total cpu time spent up to now is 119.4 secs Computing kpt #: 52 total cpu time spent up to now is 120.5 secs Computing kpt #: 53 total cpu time spent up to now is 121.5 secs Computing kpt #: 54 total cpu time spent up to now is 122.5 secs Computing kpt #: 55 total cpu time spent up to now is 123.6 secs Computing kpt #: 56 total cpu time spent up to now is 124.7 secs Computing kpt #: 57 total cpu time spent up to now is 125.7 secs Computing kpt #: 58 total cpu time spent up to now is 126.7 secs Computing kpt #: 59 total cpu time spent up to now is 127.8 secs Computing kpt #: 60 total cpu time spent up to now is 128.8 secs Computing kpt #: 61 total cpu time spent up to now is 129.8 secs Computing kpt #: 62 total cpu time spent up to now is 130.9 secs Computing kpt #: 63 total cpu time spent up to now is 132.1 secs Computing kpt #: 64 total cpu time spent up to now is 133.1 secs Computing kpt #: 65 total cpu time spent up to now is 134.2 secs Computing kpt #: 66 total cpu time spent up to now is 135.2 secs Computing kpt #: 67 total cpu time spent up to now is 136.4 secs Computing kpt #: 68 total cpu time spent up to now is 137.4 secs Computing kpt #: 69 total cpu time spent up to now is 138.6 secs Computing kpt #: 70 total cpu time spent up to now is 139.8 secs Computing kpt #: 71 total cpu time spent up to now is 140.9 secs Computing kpt #: 72 total cpu time spent up to now is 142.1 secs Computing kpt #: 73 total cpu time spent up to now is 143.3 secs Computing kpt #: 74 total cpu time spent up to now is 144.5 secs Computing kpt #: 75 total cpu time spent up to now is 145.7 secs Computing kpt #: 76 total cpu time spent up to now is 146.9 secs Computing kpt #: 77 total cpu time spent up to now is 148.1 secs Computing kpt #: 78 total cpu time spent up to now is 149.4 secs Computing kpt #: 79 total cpu time spent up to now is 150.6 secs Computing kpt #: 80 total cpu time spent up to now is 151.9 secs Computing kpt #: 81 total cpu time spent up to now is 153.1 secs Computing kpt #: 82 total cpu time spent up to now is 154.3 secs Computing kpt #: 83 total cpu time spent up to now is 155.5 secs Computing kpt #: 84 total cpu time spent up to now is 156.7 secs Computing kpt #: 85 total cpu time spent up to now is 157.8 secs Computing kpt #: 86 total cpu time spent up to now is 159.0 secs Computing kpt #: 87 total cpu time spent up to now is 160.2 secs Computing kpt #: 88 total cpu time spent up to now is 161.5 secs Computing kpt #: 89 total cpu time spent up to now is 162.7 secs Computing kpt #: 90 total cpu time spent up to now is 163.8 secs Computing kpt #: 91 total cpu time spent up to now is 165.0 secs Computing kpt #: 92 total cpu time spent up to now is 166.2 secs Computing kpt #: 93 total cpu time spent up to now is 167.5 secs Computing kpt #: 94 total cpu time spent up to now is 168.8 secs Computing kpt #: 95 total cpu time spent up to now is 170.1 secs Computing kpt #: 96 total cpu time spent up to now is 171.3 secs Computing kpt #: 97 total cpu time spent up to now is 172.6 secs Computing kpt #: 98 total cpu time spent up to now is 173.8 secs Computing kpt #: 99 total cpu time spent up to now is 174.9 secs Computing kpt #: 100 total cpu time spent up to now is 176.2 secs Computing kpt #: 101 total cpu time spent up to now is 177.3 secs Computing kpt #: 102 total cpu time spent up to now is 178.5 secs Computing kpt #: 103 total cpu time spent up to now is 179.9 secs Computing kpt #: 104 total cpu time spent up to now is 181.1 secs Computing kpt #: 105 total cpu time spent up to now is 182.3 secs Computing kpt #: 106 total cpu time spent up to now is 183.4 secs Computing kpt #: 107 total cpu time spent up to now is 184.8 secs Computing kpt #: 108 total cpu time spent up to now is 186.0 secs Computing kpt #: 109 total cpu time spent up to now is 187.2 secs Computing kpt #: 110 total cpu time spent up to now is 188.4 secs Computing kpt #: 111 total cpu time spent up to now is 189.7 secs Computing kpt #: 112 total cpu time spent up to now is 190.9 secs Computing kpt #: 113 total cpu time spent up to now is 192.1 secs Computing kpt #: 114 total cpu time spent up to now is 193.3 secs Computing kpt #: 115 total cpu time spent up to now is 194.5 secs Computing kpt #: 116 total cpu time spent up to now is 195.7 secs Computing kpt #: 117 total cpu time spent up to now is 196.9 secs Computing kpt #: 118 total cpu time spent up to now is 198.1 secs Computing kpt #: 119 total cpu time spent up to now is 199.3 secs Computing kpt #: 120 total cpu time spent up to now is 200.5 secs Computing kpt #: 121 total cpu time spent up to now is 201.7 secs Computing kpt #: 122 total cpu time spent up to now is 203.0 secs Computing kpt #: 123 total cpu time spent up to now is 204.2 secs Computing kpt #: 124 total cpu time spent up to now is 205.3 secs Computing kpt #: 125 total cpu time spent up to now is 206.6 secs Computing kpt #: 126 total cpu time spent up to now is 207.8 secs Computing kpt #: 127 total cpu time spent up to now is 209.0 secs Computing kpt #: 128 total cpu time spent up to now is 210.1 secs Computing kpt #: 129 total cpu time spent up to now is 211.2 secs Computing kpt #: 130 total cpu time spent up to now is 212.2 secs Computing kpt #: 131 total cpu time spent up to now is 213.2 secs Computing kpt #: 132 total cpu time spent up to now is 214.2 secs Computing kpt #: 133 total cpu time spent up to now is 215.4 secs Computing kpt #: 134 total cpu time spent up to now is 216.5 secs Computing kpt #: 135 total cpu time spent up to now is 217.5 secs Computing kpt #: 136 total cpu time spent up to now is 218.5 secs Computing kpt #: 137 total cpu time spent up to now is 219.7 secs Computing kpt #: 138 total cpu time spent up to now is 221.2 secs Computing kpt #: 139 total cpu time spent up to now is 222.3 secs Computing kpt #: 140 total cpu time spent up to now is 223.4 secs Computing kpt #: 141 total cpu time spent up to now is 224.6 secs Computing kpt #: 142 total cpu time spent up to now is 225.6 secs Computing kpt #: 143 total cpu time spent up to now is 226.7 secs Computing kpt #: 144 total cpu time spent up to now is 227.8 secs Computing kpt #: 145 total cpu time spent up to now is 228.9 secs Computing kpt #: 146 total cpu time spent up to now is 229.9 secs Computing kpt #: 147 total cpu time spent up to now is 231.0 secs Computing kpt #: 148 total cpu time spent up to now is 232.1 secs Computing kpt #: 149 total cpu time spent up to now is 233.1 secs Computing kpt #: 150 total cpu time spent up to now is 234.3 secs Computing kpt #: 151 total cpu time spent up to now is 235.4 secs Computing kpt #: 152 total cpu time spent up to now is 236.6 secs Computing kpt #: 153 total cpu time spent up to now is 237.8 secs Computing kpt #: 154 total cpu time spent up to now is 239.0 secs Computing kpt #: 155 total cpu time spent up to now is 240.3 secs Computing kpt #: 156 total cpu time spent up to now is 241.8 secs Computing kpt #: 157 total cpu time spent up to now is 243.2 secs Computing kpt #: 158 total cpu time spent up to now is 244.8 secs Computing kpt #: 159 total cpu time spent up to now is 246.3 secs Computing kpt #: 160 total cpu time spent up to now is 248.1 secs Computing kpt #: 161 total cpu time spent up to now is 249.7 secs Computing kpt #: 162 total cpu time spent up to now is 251.4 secs Computing kpt #: 163 total cpu time spent up to now is 252.9 secs Computing kpt #: 164 total cpu time spent up to now is 254.7 secs Computing kpt #: 165 total cpu time spent up to now is 256.5 secs Computing kpt #: 166 total cpu time spent up to now is 258.5 secs Computing kpt #: 167 total cpu time spent up to now is 260.2 secs Computing kpt #: 168 total cpu time spent up to now is 262.2 secs Computing kpt #: 169 total cpu time spent up to now is 264.2 secs Computing kpt #: 170 total cpu time spent up to now is 266.2 secs Computing kpt #: 171 total cpu time spent up to now is 268.4 secs Computing kpt #: 172 total cpu time spent up to now is 270.4 secs Computing kpt #: 173 total cpu time spent up to now is 272.6 secs Computing kpt #: 174 total cpu time spent up to now is 274.8 secs Computing kpt #: 175 total cpu time spent up to now is 277.1 secs Computing kpt #: 176 total cpu time spent up to now is 279.5 secs Computing kpt #: 177 total cpu time spent up to now is 282.4 secs Computing kpt #: 178 total cpu time spent up to now is 285.1 secs Computing kpt #: 179 total cpu time spent up to now is 287.6 secs Computing kpt #: 180 total cpu time spent up to now is 290.2 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.4 secs Computing kpt #: 182 total cpu time spent up to now is 296.0 secs Computing kpt #: 183 total cpu time spent up to now is 298.9 secs Computing kpt #: 184 total cpu time spent up to now is 301.6 secs Computing kpt #: 185 total cpu time spent up to now is 304.2 secs Computing kpt #: 186 total cpu time spent up to now is 306.6 secs Computing kpt #: 187 total cpu time spent up to now is 309.0 secs Computing kpt #: 188 total cpu time spent up to 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343.0 secs Computing kpt #: 204 total cpu time spent up to now is 344.5 secs Computing kpt #: 205 total cpu time spent up to now is 346.2 secs Computing kpt #: 206 total cpu time spent up to now is 347.5 secs Computing kpt #: 207 total cpu time spent up to now is 349.1 secs Computing kpt #: 208 total cpu time spent up to now is 350.4 secs Computing kpt #: 209 total cpu time spent up to now is 351.7 secs Computing kpt #: 210 total cpu time spent up to now is 353.2 secs Computing kpt #: 211 total cpu time spent up to now is 354.6 secs Computing kpt #: 212 total cpu time spent up to now is 355.9 secs Computing kpt #: 213 total cpu time spent up to now is 357.5 secs Computing kpt #: 214 total cpu time spent up to now is 358.8 secs Computing kpt #: 215 total cpu time spent up to now is 360.2 secs Computing kpt #: 216 total cpu time spent up to now is 361.4 secs Computing kpt #: 217 total cpu time spent up to now is 362.9 secs Computing kpt #: 218 total cpu time spent up to now is 364.1 secs Computing kpt #: 219 total cpu time spent up to now is 365.3 secs Computing kpt #: 220 total cpu time spent up to now is 366.5 secs Computing kpt #: 221 total cpu time spent up to now is 367.7 secs Computing kpt #: 222 total cpu time spent up to now is 368.9 secs Computing kpt #: 223 total cpu time spent up to now is 370.2 secs Computing kpt #: 224 total cpu time spent up to now is 371.4 secs Computing kpt #: 225 total cpu time spent up to now is 372.6 secs Computing kpt #: 226 total cpu time spent up to now is 373.8 secs Computing kpt #: 227 total cpu time spent up to now is 375.0 secs Computing kpt #: 228 total cpu time spent up to now is 376.2 secs Computing kpt #: 229 total cpu time spent up to now is 377.4 secs Computing kpt #: 230 total cpu time spent up to now is 378.6 secs Computing kpt #: 231 total cpu time spent up to now is 379.8 secs Computing kpt #: 232 total cpu time spent up to now is 381.0 secs Computing kpt #: 233 total cpu time spent up to now is 382.1 secs Computing kpt #: 234 total cpu time spent up to now is 383.4 secs Computing kpt #: 235 total cpu time spent up to now is 384.6 secs Computing kpt #: 236 total cpu time spent up to now is 385.9 secs Computing kpt #: 237 total cpu time spent up to now is 387.0 secs Computing kpt #: 238 total cpu time spent up to now is 388.2 secs Computing kpt #: 239 total cpu time spent up to now is 389.6 secs Computing kpt #: 240 total cpu time spent up to now is 390.8 secs Computing kpt #: 241 total cpu time spent up to now is 392.0 secs Computing kpt #: 242 total cpu time spent up to now is 393.2 secs Computing kpt #: 243 total cpu time spent up to now is 394.3 secs Computing kpt #: 244 total cpu time spent up to now is 395.6 secs Computing kpt #: 245 total cpu time spent up to now is 396.7 secs Computing kpt #: 246 total cpu time spent up to now is 397.9 secs Computing kpt #: 247 total cpu time spent up to now is 399.1 secs Computing kpt #: 248 total cpu time spent up to now is 400.3 secs Computing kpt #: 249 total cpu time spent up to now is 401.7 secs Computing kpt #: 250 total cpu time spent up to now is 403.1 secs Computing kpt #: 251 total cpu time spent up to now is 404.3 secs Computing kpt #: 252 total cpu time spent up to now is 405.5 secs Computing kpt #: 253 total cpu time spent up to now is 406.7 secs Computing kpt #: 254 total cpu time spent up to now is 408.1 secs Computing kpt #: 255 total cpu time spent up to now is 409.5 secs Computing kpt #: 256 total cpu time spent up to now is 410.7 secs Computing kpt #: 257 total cpu time spent up to now is 411.9 secs Computing kpt #: 258 total cpu time spent up to now is 413.2 secs Computing kpt #: 259 total cpu time spent up to now is 414.4 secs Computing kpt #: 260 total cpu time spent up to now is 415.7 secs Computing kpt #: 261 total cpu time spent up to now is 416.9 secs Computing kpt #: 262 total cpu time spent up to now is 418.2 secs Computing kpt #: 263 total cpu time spent up to now is 419.5 secs Computing kpt #: 264 total cpu time spent up to now is 420.7 secs Computing kpt #: 265 total cpu time spent up to now is 422.1 secs Computing kpt #: 266 total cpu time spent up to now is 423.4 secs Computing kpt #: 267 total cpu time spent up to now is 424.7 secs Computing kpt #: 268 total cpu time spent up to now is 426.0 secs Computing kpt #: 269 total cpu time spent up to now is 427.7 secs Computing kpt #: 270 total cpu time spent up to now is 430.2 secs Computing kpt #: 271 total cpu time spent up to now is 432.0 secs Computing kpt #: 272 total cpu time spent up to now is 433.8 secs Computing kpt #: 273 total cpu time spent up to now is 436.4 secs Computing kpt #: 274 total cpu time spent up to now is 438.5 secs Computing kpt #: 275 total cpu time spent up to now is 441.2 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.5 secs Computing kpt #: 277 total cpu time spent up to now is 446.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.7 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.8 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.9 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.1 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.3 secs Computing kpt #: 283 total cpu time spent up to now is 464.2 secs Computing kpt #: 284 total cpu time spent up to now is 466.1 secs Computing kpt #: 285 total cpu time spent up to now is 467.9 secs Computing kpt #: 286 total cpu time spent up to now is 469.6 secs Computing kpt #: 287 total cpu time spent up to now is 471.3 secs Computing kpt #: 288 total cpu time spent up to now is 473.1 secs Computing kpt #: 289 total cpu time spent up to now is 474.8 secs Computing kpt #: 290 total cpu time spent up to now is 476.4 secs Computing kpt #: 291 total cpu time spent up to now is 478.1 secs Computing kpt #: 292 total cpu time spent up to now is 479.7 secs Computing kpt #: 293 total cpu time spent up to now is 481.1 secs Computing kpt #: 294 total cpu time spent up to now is 482.4 secs Computing kpt #: 295 total cpu time spent up to now is 483.6 secs Computing kpt #: 296 total cpu time spent up to now is 485.0 secs Computing kpt #: 297 total cpu time spent up to now is 486.3 secs Computing kpt #: 298 total cpu time spent up to now is 487.5 secs Computing kpt #: 299 total cpu time spent up to now is 489.1 secs Computing kpt #: 300 total cpu time spent up to now is 490.7 secs Computing kpt #: 301 total cpu time spent up to now is 492.0 secs Computing kpt #: 302 total cpu time spent up to now is 493.2 secs Computing kpt #: 303 total cpu time spent up to now is 494.8 secs Computing kpt #: 304 total cpu time spent up to now is 496.4 secs Computing kpt #: 305 total cpu time spent up to now is 497.6 secs Computing kpt #: 306 total cpu time spent up to now is 498.8 secs Computing kpt #: 307 total cpu time spent up to now is 500.0 secs Computing kpt #: 308 total cpu time spent up to now is 501.2 secs Computing kpt #: 309 total cpu time spent up to now is 502.5 secs Computing kpt #: 310 total cpu time spent up to now is 503.9 secs Computing kpt #: 311 total cpu time spent up to now is 505.1 secs Computing kpt #: 312 total cpu time spent up to now is 506.3 secs Computing kpt #: 313 total cpu time spent up to now is 507.5 secs Computing kpt #: 314 total cpu time spent up to now is 508.7 secs Computing kpt #: 315 total cpu time spent up to now is 510.0 secs Computing kpt #: 316 total cpu time spent up to now is 511.2 secs Computing kpt #: 317 total cpu time spent up to now is 512.5 secs Computing kpt #: 318 total cpu time spent up to now is 513.6 secs Computing kpt #: 319 total cpu time spent up to now is 514.8 secs Computing kpt #: 320 total cpu time spent up to now is 516.0 secs Computing kpt #: 321 total cpu time spent up to now is 517.2 secs Computing kpt #: 322 total cpu time spent up to now is 518.4 secs Computing kpt #: 323 total cpu time spent up to now is 519.9 secs Computing kpt #: 324 total cpu time spent up to now is 521.5 secs Computing kpt #: 325 total cpu time spent up to now is 523.2 secs Computing kpt #: 326 total cpu time spent up to now is 524.9 secs Computing kpt #: 327 total cpu time spent up to now is 526.0 secs Computing kpt #: 328 total cpu time spent up to now is 527.1 secs Computing kpt #: 329 total cpu time spent up to now is 528.1 secs Computing kpt #: 330 total cpu time spent up to now is 529.1 secs Computing kpt #: 331 total cpu time spent up to now is 530.1 secs Computing kpt #: 332 total cpu time spent up to now is 531.1 secs Computing kpt #: 333 total cpu time spent up to now is 532.2 secs Computing kpt #: 334 total cpu time spent up to now is 533.3 secs Computing kpt #: 335 total cpu time spent up to now is 534.3 secs Computing kpt #: 336 total cpu time spent up to now is 535.3 secs Computing kpt #: 337 total cpu time spent up to now is 536.3 secs Computing kpt #: 338 total cpu time spent up to now is 537.4 secs Computing kpt #: 339 total cpu time spent up to now is 538.4 secs Computing kpt #: 340 total cpu time spent up to now is 539.5 secs Computing kpt #: 341 total cpu time spent up to now is 540.6 secs Computing kpt #: 342 total cpu time spent up to now is 541.5 secs Computing kpt #: 343 total cpu time spent up to now is 542.6 secs Computing kpt #: 344 total cpu time spent up to now is 543.6 secs Computing kpt #: 345 total cpu time spent up to now is 544.7 secs Computing kpt #: 346 total cpu time spent up to now is 545.8 secs Computing kpt #: 347 total cpu time spent up to now is 546.9 secs Computing kpt #: 348 total cpu time spent up to now is 548.3 secs Computing kpt #: 349 total cpu time spent up to now is 549.5 secs Computing kpt #: 350 total cpu time spent up to now is 551.0 secs Computing kpt #: 351 total cpu time spent up to now is 552.4 secs Computing kpt #: 352 total cpu time spent up to now is 553.9 secs Computing kpt #: 353 total cpu time spent up to now is 555.4 secs Computing kpt #: 354 total cpu time spent up to now is 557.0 secs Computing kpt #: 355 total cpu time spent up to now is 558.5 secs Computing kpt #: 356 total cpu time spent up to now is 559.8 secs Computing kpt #: 357 total cpu time spent up to now is 561.3 secs Computing kpt #: 358 total cpu time spent up to now is 563.1 secs Computing kpt #: 359 total cpu time spent up to now is 565.0 secs Computing kpt #: 360 total cpu time spent up to now is 566.6 secs Computing kpt #: 361 total cpu time spent up to now is 568.4 secs Computing kpt #: 362 total cpu time spent up to now is 570.2 secs Computing kpt #: 363 total cpu time spent up to now is 572.2 secs Computing kpt #: 364 total cpu time spent up to now is 574.4 secs Computing kpt #: 365 total cpu time spent up to now is 576.5 secs Computing kpt #: 366 total cpu time spent up to now is 578.7 secs Computing kpt #: 367 total cpu time spent up to now is 581.1 secs Computing kpt #: 368 total cpu time spent up to now is 584.0 secs Computing kpt #: 369 total cpu time spent up to now is 586.5 secs Computing kpt #: 370 total cpu time spent up to now is 589.1 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.3 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.5 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.7 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.8 secs Computing kpt #: 375 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.0 secs Computing kpt #: 376 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.2 secs Computing kpt #: 377 total cpu time spent up to now is 611.3 secs Computing kpt #: 378 total cpu time spent up to now is 613.9 secs Computing kpt #: 379 total cpu time spent up to now is 616.2 secs Computing kpt #: 380 total cpu time spent up to now is 618.8 secs Computing kpt #: 381 total cpu time spent up to now is 621.5 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.6 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.8 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.9 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.1 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.2 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.4 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.5 secs Computing kpt #: 389 total cpu time spent up to now is 646.4 secs Computing kpt #: 390 total cpu time spent up to now is 649.0 secs Computing kpt #: 391 total cpu time spent up to now is 651.3 secs Computing kpt #: 392 total cpu time spent up to now is 653.6 secs Computing kpt #: 393 total cpu time spent up to now is 655.6 secs Computing kpt #: 394 total cpu time spent up to now is 657.5 secs Computing kpt #: 395 total cpu time spent up to now is 659.6 secs Computing kpt #: 396 total cpu time spent up to now is 661.6 secs Computing kpt #: 397 total cpu time spent up to now is 663.7 secs Computing kpt #: 398 total cpu time spent up to now is 665.5 secs Computing kpt #: 399 total cpu time spent up to now is 667.3 secs Computing kpt #: 400 total cpu time spent up to now is 669.2 secs Computing kpt #: 401 total cpu time spent up to now is 670.9 secs Computing kpt #: 402 total cpu time spent up to now is 672.7 secs Computing kpt #: 403 total cpu time spent up to now is 674.2 secs Computing kpt #: 404 total cpu time spent up to now is 675.7 secs Computing kpt #: 405 total cpu time spent up to now is 677.3 secs Computing kpt #: 406 total cpu time spent up to now is 678.6 secs Computing kpt #: 407 total cpu time spent up to now is 679.9 secs Computing kpt #: 408 total cpu time spent up to now is 681.2 secs Computing kpt #: 409 total cpu time spent up to now is 682.5 secs Computing kpt #: 410 total cpu time spent up to now is 683.5 secs Computing kpt #: 411 total cpu time spent up to now is 684.9 secs Computing kpt #: 412 total cpu time spent up to now is 686.1 secs Computing kpt #: 413 total cpu time spent up to now is 687.2 secs Computing kpt #: 414 total cpu time spent up to now is 688.5 secs Computing kpt #: 415 total cpu time spent up to now is 689.6 secs Computing kpt #: 416 total cpu time spent up to now is 690.6 secs Computing kpt #: 417 total cpu time spent up to now is 691.6 secs Computing kpt #: 418 total cpu time spent up to now is 692.7 secs Computing kpt #: 419 total cpu time spent up to now is 693.7 secs Computing kpt #: 420 total cpu time spent up to now is 694.7 secs Computing kpt #: 421 total cpu time spent up to now is 695.7 secs Computing kpt #: 422 total cpu time spent up to now is 696.9 secs Computing kpt #: 423 total cpu time spent up to now is 698.2 secs Computing kpt #: 424 total cpu time spent up to now is 699.4 secs Computing kpt #: 425 total cpu time spent up to now is 700.6 secs Computing kpt #: 426 total cpu time spent up to now is 701.8 secs Computing kpt #: 427 total cpu time spent up to now is 703.2 secs Computing kpt #: 428 total cpu time spent up to now is 704.5 secs Computing kpt #: 429 total cpu time spent up to now is 705.7 secs Computing kpt #: 430 total cpu time spent up to now is 706.9 secs Computing kpt #: 431 total cpu time spent up to now is 708.1 secs Computing kpt #: 432 total cpu time spent up to now is 709.3 secs Computing kpt #: 433 total cpu time spent up to now is 710.4 secs Computing kpt #: 434 total cpu time spent up to now is 711.6 secs Computing kpt #: 435 total cpu time spent up to now is 712.8 secs Computing kpt #: 436 total cpu time spent up to now is 713.9 secs Computing kpt #: 437 total cpu time spent up to now is 715.2 secs Computing kpt #: 438 total cpu time spent up to now is 716.4 secs Computing kpt #: 439 total cpu time spent up to now is 717.6 secs Computing kpt #: 440 total cpu time spent up to now is 718.8 secs Computing kpt #: 441 total cpu time spent up to now is 720.3 secs Computing kpt #: 442 total cpu time spent up to now is 721.6 secs Computing kpt #: 443 total cpu time spent up to now is 722.8 secs Computing kpt #: 444 total cpu time spent up to now is 724.2 secs Computing kpt #: 445 total cpu time spent up to now is 725.4 secs Computing kpt #: 446 total cpu time spent up to now is 726.7 secs Computing kpt #: 447 total cpu time spent up to now is 728.0 secs Computing kpt #: 448 total cpu time spent up to now is 729.2 secs Computing kpt #: 449 total cpu time spent up to now is 730.4 secs Computing kpt #: 450 total cpu time spent up to now is 731.8 secs Computing kpt #: 451 total cpu time spent up to now is 733.3 secs Computing kpt #: 452 total cpu time spent up to now is 734.4 secs Computing kpt #: 453 total cpu time spent up to now is 735.8 secs Computing kpt #: 454 total cpu time spent up to now is 737.3 secs Computing kpt #: 455 total cpu time spent up to now is 738.8 secs Computing kpt #: 456 total cpu time spent up to now is 740.4 secs Computing kpt #: 457 total cpu time spent up to now is 741.9 secs Computing kpt #: 458 total cpu time spent up to now is 743.5 secs Computing kpt #: 459 total cpu time spent up to now is 745.1 secs Computing kpt #: 460 total cpu time spent up to now is 746.9 secs Computing kpt #: 461 total cpu time spent up to now is 748.9 secs Computing kpt #: 462 total cpu time spent up to now is 750.9 secs Computing kpt #: 463 total cpu time spent up to now is 752.8 secs Computing kpt #: 464 total cpu time spent up to now is 754.9 secs Computing kpt #: 465 total cpu time spent up to now is 756.7 secs Computing kpt #: 466 total cpu time spent up to now is 758.9 secs Computing kpt #: 467 total cpu time spent up to now is 761.0 secs Computing kpt #: 468 total cpu time spent up to now is 763.2 secs Computing kpt #: 469 total cpu time spent up to now is 765.5 secs Computing kpt #: 470 total cpu time spent up to now is 767.4 secs Computing kpt #: 471 total cpu time spent up to now is 769.9 secs Computing kpt #: 472 total cpu time spent up to now is 772.3 secs Computing kpt #: 473 total cpu time spent up to now is 775.1 secs Computing kpt #: 474 total cpu time spent up to now is 777.4 secs Computing kpt #: 475 total cpu time spent up to now is 780.0 secs Computing kpt #: 476 total cpu time spent up to now is 782.7 secs Computing kpt #: 477 total cpu time spent up to now is 785.5 secs Computing kpt #: 478 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 788.4 secs ethr = 2.50E-11, avg # of iterations = 41.0 total cpu time spent up to now is 788.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.1194 -46.1194 -22.8086 -22.8086 -22.1591 -22.1591 -22.1426 -22.1426 -14.3979 -14.3979 -6.5178 -6.5178 -5.8674 -5.8674 -5.8314 -5.8314 -0.9381 -0.9381 0.9730 0.9730 0.9797 0.9797 7.9381 7.9381 8.1526 8.1526 8.1642 8.1642 9.1094 9.1094 9.1236 9.1236 9.2308 9.2308 9.9598 9.9598 10.0762 10.0762 10.1194 10.1194 12.3264 12.3264 12.4168 12.4168 12.4991 12.4991 14.4927 14.4927 k = 0.0089 0.0089-0.0000 ( 2777 PWs) bands (ev): -46.1194 -46.1194 -22.8087 -22.8086 -22.1592 -22.1591 -22.1427 -22.1426 -14.3977 -14.3977 -6.5179 -6.5177 -5.8676 -5.8672 -5.8314 -5.8313 -0.9378 -0.9378 0.9732 0.9738 0.9799 0.9801 7.9354 7.9387 8.1484 8.1533 8.1625 8.1641 9.1073 9.1084 9.1211 9.1228 9.2275 9.2301 9.9482 9.9678 10.0695 10.0761 10.1129 10.1263 12.3270 12.3284 12.4181 12.4195 12.5000 12.5019 14.4939 14.4940 k = 0.0178 0.0179-0.0000 ( 2771 PWs) bands (ev): -46.1194 -46.1194 -22.8087 -22.8086 -22.1594 -22.1592 -22.1427 -22.1426 -14.3972 -14.3971 -6.5181 -6.5176 -5.8677 -5.8668 -5.8314 -5.8311 -0.9367 -0.9367 0.9743 0.9754 0.9810 0.9813 7.9303 7.9370 8.1407 8.1504 8.1591 8.1624 9.1018 9.1039 9.1151 9.1187 9.2202 9.2254 9.9329 9.9723 10.0549 10.0715 10.1079 10.1316 12.3304 12.3330 12.4232 12.4261 12.5046 12.5084 14.4974 14.4978 k = 0.0267 0.0268-0.0000 ( 2765 PWs) bands (ev): -46.1194 -46.1194 -22.8088 -22.8087 -22.1596 -22.1593 -22.1427 -22.1426 -14.3963 -14.3962 -6.5183 -6.5175 -5.8678 -5.8665 -5.8313 -5.8309 -0.9349 -0.9349 0.9758 0.9773 0.9833 0.9837 7.9229 7.9330 8.1292 8.1435 8.1546 8.1591 9.0922 9.0953 9.1056 9.1110 9.2104 9.2180 9.9138 9.9734 10.0333 10.0638 10.1034 10.1340 12.3364 12.3403 12.4322 12.4364 12.5129 12.5185 14.5035 14.5040 k = 0.0356 0.0357-0.0000 ( 2761 PWs) bands (ev): -46.1194 -46.1194 -22.8090 -22.8088 -22.1599 -22.1595 -22.1428 -22.1427 -14.3950 -14.3950 -6.5184 -6.5175 -5.8678 -5.8660 -5.8311 -5.8305 -0.9325 -0.9324 0.9774 0.9789 0.9876 0.9876 7.9128 7.9266 8.1143 8.1329 8.1491 8.1543 9.0773 9.0821 9.0930 9.0991 9.1998 9.2093 9.8910 9.9713 10.0061 10.0536 10.0978 10.1328 12.3451 12.3501 12.4450 12.4503 12.5249 12.5322 14.5118 14.5126 k = 0.0445 0.0446-0.0000 ( 2757 PWs) bands (ev): -46.1194 -46.1194 -22.8092 -22.8089 -22.1603 -22.1598 -22.1429 -22.1427 -14.3934 -14.3934 -6.5187 -6.5175 -5.8677 -5.8655 -5.8309 -5.8301 -0.9293 -0.9293 0.9789 0.9803 0.9932 0.9936 7.8999 7.9175 8.0960 8.1190 8.1422 8.1482 9.0561 9.0631 9.0773 9.0829 9.1903 9.2009 9.8645 9.9657 9.9747 10.0412 10.0905 10.1280 12.3567 12.3625 12.4614 12.4676 12.5405 12.5494 14.5224 14.5233 k = 0.0534 0.0536-0.0000 ( 2761 PWs) bands (ev): -46.1194 -46.1194 -22.8095 -22.8092 -22.1608 -22.1602 -22.1430 -22.1428 -14.3915 -14.3914 -6.5189 -6.5175 -5.8676 -5.8650 -5.8304 -5.8295 -0.9256 -0.9256 0.9804 0.9817 1.0002 1.0010 7.8839 7.9053 8.0748 8.1022 8.1341 8.1407 9.0282 9.0373 9.0586 9.0630 9.1830 9.1937 9.8343 9.9376 9.9586 10.0268 10.0809 10.1197 12.3709 12.3774 12.4812 12.4882 12.5598 12.5701 14.5351 14.5362 k = 0.0624 0.0625-0.0000 ( 2761 PWs) bands (ev): -46.1193 -46.1193 -22.8098 -22.8095 -22.1613 -22.1607 -22.1432 -22.1430 -14.3892 -14.3892 -6.5191 -6.5175 -5.8674 -5.8643 -5.8298 -5.8288 -0.9213 -0.9213 0.9820 0.9833 1.0085 1.0096 7.8645 7.8897 8.0512 8.0829 8.1248 8.1319 8.9941 9.0048 9.0371 9.0404 9.1781 9.1883 9.8008 9.8977 9.9479 10.0105 10.0691 10.1079 12.3878 12.3949 12.5042 12.5118 12.5826 12.5942 14.5498 14.5510 k = 0.0713 0.0714-0.0000 ( 2759 PWs) bands (ev): -46.1193 -46.1193 -22.8102 -22.8097 -22.1619 -22.1612 -22.1433 -22.1431 -14.3866 -14.3866 -6.5194 -6.5175 -5.8671 -5.8637 -5.8290 -5.8279 -0.9165 -0.9165 0.9837 0.9850 1.0179 1.0194 7.8415 7.8701 8.0257 8.0614 8.1143 8.1220 8.9547 8.9663 9.0127 9.0154 9.1751 9.1844 9.7639 9.8541 9.9349 9.9923 10.0550 10.0932 12.4073 12.4148 12.5301 12.5382 12.6088 12.6215 14.5663 14.5675 k = 0.0802 0.0804-0.0000 ( 2759 PWs) bands (ev): -46.1193 -46.1193 -22.8106 -22.8101 -22.1626 -22.1618 -22.1435 -22.1432 -14.3837 -14.3837 -6.5196 -6.5176 -5.8668 -5.8630 -5.8280 -5.8267 -0.9112 -0.9112 0.9856 0.9870 1.0284 1.0301 7.8146 7.8460 7.9989 8.0378 8.1029 8.1111 8.9108 8.9233 8.9859 8.9882 9.1734 9.1819 9.7241 9.8073 9.9197 9.9722 10.0388 10.0758 12.4293 12.4372 12.5589 12.5673 12.6382 12.6519 14.5844 14.5858 k = 0.0891 0.0893-0.0000 ( 2759 PWs) bands (ev): -46.1193 -46.1193 -22.8110 -22.8105 -22.1634 -22.1625 -22.1437 -22.1434 -14.3805 -14.3805 -6.5199 -6.5176 -5.8664 -5.8622 -5.8267 -5.8253 -0.9056 -0.9055 0.9876 0.9891 1.0398 1.0417 7.7838 7.8171 7.9712 8.0123 8.0907 8.0992 8.8633 8.8767 8.9567 8.9588 9.1727 9.1805 9.6815 9.7575 9.9024 9.9503 10.0208 10.0563 12.4538 12.4620 12.5901 12.5987 12.6706 12.6851 14.6040 14.6054 k = 0.0980 0.0982-0.0000 ( 2759 PWs) bands (ev): -46.1192 -46.1192 -22.8115 -22.8109 -22.1642 -22.1633 -22.1439 -22.1436 -14.3770 -14.3770 -6.5201 -6.5176 -5.8659 -5.8614 -5.8251 -5.8237 -0.8996 -0.8995 0.9899 0.9914 1.0519 1.0540 7.7491 7.7833 7.9427 7.9850 8.0778 8.0866 8.8129 8.8274 8.9255 8.9274 9.1728 9.1800 9.6366 9.7053 9.8834 9.9267 10.0013 10.0352 12.4806 12.4890 12.6236 12.6323 12.7058 12.7210 14.6249 14.6264 k = 0.1069 0.1071-0.0000 ( 2761 PWs) bands (ev): -46.1192 -46.1192 -22.8121 -22.8114 -22.1652 -22.1641 -22.1442 -22.1438 -14.3733 -14.3732 -6.5202 -6.5175 -5.8654 -5.8606 -5.8233 -5.8217 -0.8933 -0.8932 0.9923 0.9939 1.0646 1.0669 7.7107 7.7449 7.9134 7.9557 8.0645 8.0734 8.7604 8.7760 8.8923 8.8942 9.1736 9.1803 9.5895 9.6510 9.8628 9.9015 9.9807 10.0130 12.5096 12.5181 12.6591 12.6679 12.7436 12.7593 14.6469 14.6484 k = 0.1158 0.1161-0.0000 ( 2761 PWs) bands (ev): -46.1192 -46.1192 -22.8126 -22.8119 -22.1661 -22.1650 -22.1444 -22.1441 -14.3693 -14.3692 -6.5203 -6.5174 -5.8648 -5.8597 -5.8210 -5.8194 -0.8868 -0.8867 0.9949 0.9965 1.0778 1.0803 7.6689 7.7023 7.8828 7.9244 8.0508 8.0597 8.7061 8.7230 8.8576 8.8594 9.1748 9.1811 9.5408 9.5951 9.8407 9.8748 9.9594 9.9903 12.5408 12.5493 12.6964 12.7053 12.7838 12.7998 14.6699 14.6713 k = 0.1247 0.1250-0.0000 ( 2755 PWs) bands (ev): -46.1191 -46.1191 -22.8132 -22.8125 -22.1672 -22.1659 -22.1447 -22.1443 -14.3651 -14.3650 -6.5203 -6.5172 -5.8642 -5.8587 -5.8185 -5.8168 -0.8802 -0.8801 0.9976 0.9993 1.0913 1.0939 7.6241 7.6562 7.8507 7.8909 8.0369 8.0459 8.6505 8.6688 8.8215 8.8232 9.1764 9.1824 9.4909 9.5384 9.8173 9.8468 9.9378 9.9676 12.5738 12.5823 12.7353 12.7441 12.8260 12.8422 14.6936 14.6951 k = 0.1336 0.1339-0.0000 ( 2755 PWs) bands (ev): -46.1191 -46.1191 -22.8138 -22.8131 -22.1682 -22.1669 -22.1449 -22.1445 -14.3606 -14.3605 -6.5201 -6.5169 -5.8635 -5.8578 -5.8155 -5.8138 -0.8736 -0.8734 1.0005 1.0023 1.1049 1.1076 7.5767 7.6073 7.8167 7.8551 8.0229 8.0318 8.5940 8.6135 8.7841 8.7858 9.1780 9.1839 9.4405 9.4815 9.7926 9.8177 9.9166 9.9453 12.6087 12.6172 12.7755 12.7843 12.8700 12.8864 14.7179 14.7194 k = 0.1425 0.1429-0.0000 ( 2755 PWs) bands (ev): -46.1190 -46.1190 -22.8145 -22.8137 -22.1694 -22.1680 -22.1452 -22.1448 -14.3559 -14.3559 -6.5198 -6.5164 -5.8627 -5.8568 -5.8122 -5.8105 -0.8669 -0.8667 1.0034 1.0054 1.1185 1.1213 7.5272 7.5560 7.7805 7.8170 8.0088 8.0177 8.5366 8.5574 8.7457 8.7474 9.1791 9.1850 9.3905 9.4254 9.7666 9.7875 9.8961 9.9239 12.6453 12.6537 12.8169 12.8256 12.9156 12.9320 14.7427 14.7441 k = 0.1514 0.1518-0.0000 ( 2758 PWs) bands (ev): -46.1190 -46.1190 -22.8152 -22.8143 -22.1705 -22.1691 -22.1456 -22.1451 -14.3511 -14.3510 -6.5192 -6.5157 -5.8619 -5.8557 -5.8086 -5.8068 -0.8603 -0.8600 1.0066 1.0086 1.1319 1.1347 7.4759 7.5030 7.7421 7.7765 7.9946 8.0035 8.4786 8.5006 8.7066 8.7082 9.1789 9.1847 9.3427 9.3718 9.7394 9.7564 9.8769 9.9037 12.6834 12.6918 12.8593 12.8678 12.9626 12.9789 14.7677 14.7692 k = 0.1603 0.1607-0.0000 ( 2758 PWs) bands (ev): -46.1190 -46.1190 -22.8159 -22.8150 -22.1718 -22.1703 -22.1459 -22.1454 -14.3461 -14.3460 -6.5184 -6.5148 -5.8610 -5.8546 -5.8046 -5.8028 -0.8537 -0.8534 1.0098 1.0119 1.1450 1.1478 7.4234 7.4488 7.7015 7.7338 7.9803 7.9894 8.4201 8.4429 8.6668 8.6683 9.1752 9.1804 9.3000 9.3232 9.7108 9.7244 9.8593 9.8852 12.7229 12.7312 12.9023 12.9108 13.0107 13.0269 14.7930 14.7944 k = 0.1693 0.1696-0.0000 ( 2750 PWs) bands (ev): -46.1189 -46.1189 -22.8166 -22.8157 -22.1730 -22.1714 -22.1462 -22.1457 -14.3410 -14.3409 -6.5173 -6.5135 -5.8600 -5.8535 -5.8004 -5.7985 -0.8474 -0.8470 1.0131 1.0153 1.1575 1.1603 7.3700 7.3937 7.6587 7.6890 7.9659 7.9753 8.3611 8.3844 8.6265 8.6280 9.1635 9.1666 9.2686 9.2849 9.6809 9.6916 9.8439 9.8686 12.7637 12.7719 12.9460 12.9543 13.0597 13.0757 14.8183 14.8196 k = 0.1782 0.1786-0.0000 ( 2750 PWs) bands (ev): -46.1189 -46.1189 -22.8174 -22.8164 -22.1743 -22.1727 -22.1465 -22.1460 -14.3357 -14.3357 -6.5158 -6.5119 -5.8590 -5.8524 -5.7958 -5.7940 -0.8412 -0.8408 1.0164 1.0187 1.1694 1.1722 7.3161 7.3382 7.6138 7.6422 7.9513 7.9613 8.3016 8.3251 8.5859 8.5874 9.1390 9.1390 9.2532 9.2623 9.6497 9.6581 9.8309 9.8541 12.8056 12.8137 12.9901 12.9982 13.1096 13.1253 14.8435 14.8448 k = 0.1871 0.1875-0.0000 ( 2744 PWs) bands (ev): -46.1188 -46.1188 -22.8181 -22.8171 -22.1755 -22.1739 -22.1468 -22.1463 -14.3304 -14.3303 -6.5139 -6.5099 -5.8580 -5.8512 -5.7910 -5.7891 -0.8353 -0.8348 1.0197 1.0221 1.1806 1.1832 7.2619 7.2825 7.5672 7.5937 7.9365 7.9472 8.2416 8.2646 8.5452 8.5467 9.1024 9.1037 9.2498 9.2538 9.6173 9.6238 9.8203 9.8421 12.8485 12.8564 13.0343 13.0423 13.1600 13.1754 14.8685 14.8697 k = 0.1960 0.1964-0.0000 ( 2744 PWs) bands (ev): -46.1188 -46.1188 -22.8189 -22.8179 -22.1769 -22.1752 -22.1472 -22.1466 -14.3250 -14.3249 -6.5116 -6.5075 -5.8569 -5.8499 -5.7860 -5.7841 -0.8297 -0.8292 1.0231 1.0256 1.1908 1.1933 7.2078 7.2270 7.5188 7.5436 7.9213 7.9333 8.1813 8.2031 8.5045 8.5059 9.0635 9.0646 9.2522 9.2533 9.5838 9.5888 9.8124 9.8325 12.8923 12.9001 13.0787 13.0865 13.2108 13.2259 14.8932 14.8944 k = 0.2049 0.2054-0.0000 ( 2736 PWs) bands (ev): -46.1187 -46.1187 -22.8197 -22.8186 -22.1782 -22.1765 -22.1475 -22.1469 -14.3195 -14.3194 -6.5087 -6.5046 -5.8558 -5.8487 -5.7808 -5.7789 -0.8244 -0.8238 1.0264 1.0290 1.2000 1.2024 7.1540 7.1719 7.4692 7.4922 7.9055 7.9193 8.1207 8.1404 8.4639 8.4653 9.0258 9.0260 9.2566 9.2573 9.5493 9.5532 9.8071 9.8256 12.9368 12.9444 13.1230 13.1307 13.2619 13.2767 14.9176 14.9187 k = 0.2138 0.2143-0.0000 ( 2744 PWs) bands (ev): -46.1187 -46.1187 -22.8205 -22.8194 -22.1796 -22.1778 -22.1479 -22.1473 -14.3140 -14.3139 -6.5053 -6.5011 -5.8546 -5.8474 -5.7756 -5.7737 -0.8195 -0.8189 1.0296 1.0323 1.2081 1.2104 7.1007 7.1175 7.4183 7.4397 7.8885 7.9054 8.0604 8.0766 8.4235 8.4249 8.9904 8.9910 9.2620 9.2640 9.5141 9.5171 9.8044 9.8212 12.9818 12.9892 13.1671 13.1746 13.3132 13.3276 14.9415 14.9425 k = 0.2227 0.2232-0.0000 ( 2744 PWs) bands (ev): -46.1186 -46.1186 -22.8213 -22.8202 -22.1810 -22.1792 -22.1482 -22.1477 -14.3085 -14.3084 -6.5013 -6.4970 -5.8534 -5.8461 -5.7703 -5.7684 -0.8150 -0.8143 1.0326 1.0355 1.2151 1.2172 7.0481 7.0638 7.3666 7.3863 7.8690 7.8913 8.0018 8.0116 8.3835 8.3849 8.9589 8.9600 9.2684 9.2716 9.4782 9.4807 9.8042 9.8193 13.0273 13.0345 13.2109 13.2182 13.3645 13.3784 14.9649 14.9658 k = 0.2316 0.2321-0.0000 ( 2740 PWs) bands (ev): -46.1185 -46.1185 -22.8221 -22.8210 -22.1824 -22.1806 -22.1485 -22.1480 -14.3030 -14.3029 -6.4967 -6.4922 -5.8522 -5.8448 -5.7650 -5.7631 -0.8108 -0.8101 1.0355 1.0385 1.2210 1.2229 6.9964 7.0110 7.3142 7.3324 7.8441 7.8770 7.9461 7.9479 8.3440 8.3453 8.9322 8.9336 9.2754 9.2798 9.4421 9.4440 9.8065 9.8199 13.0731 13.0801 13.2543 13.2614 13.4157 13.4292 14.9876 14.9886 k = 0.2405 0.2411-0.0000 ( 2742 PWs) bands (ev): -46.1185 -46.1185 -22.8230 -22.8219 -22.1838 -22.1819 -22.1489 -22.1483 -14.2975 -14.2974 -6.4913 -6.4868 -5.8509 -5.8434 -5.7599 -5.7579 -0.8071 -0.8064 1.0381 1.0412 1.2258 1.2274 6.9457 6.9593 7.2614 7.2781 7.8080 7.8587 7.8835 7.9044 8.3050 8.3063 8.9106 8.9120 9.2826 9.2880 9.4060 9.4074 9.8111 9.8229 13.1190 13.1259 13.2971 13.3040 13.4667 13.4798 15.0098 15.0106 k = 0.2494 0.2500-0.0000 ( 2738 PWs) bands (ev): -46.1184 -46.1184 -22.8238 -22.8227 -22.1851 -22.1833 -22.1492 -22.1487 -14.2920 -14.2919 -6.4852 -6.4807 -5.8496 -5.8420 -5.7549 -5.7529 -0.8039 -0.8031 1.0403 1.0436 1.2295 1.2308 6.8960 6.9088 7.2084 7.2237 7.7583 7.8063 7.8545 7.8743 8.2666 8.2680 8.8945 8.8956 9.2890 9.2955 9.3707 9.3718 9.8179 9.8282 13.1650 13.1717 13.3392 13.3460 13.5174 13.5300 15.0312 15.0320 k = 0.2583 0.2589-0.0000 ( 2742 PWs) bands (ev): -46.1184 -46.1184 -22.8246 -22.8235 -22.1866 -22.1847 -22.1496 -22.1490 -14.2866 -14.2865 -6.4784 -6.4738 -5.8484 -5.8407 -5.7501 -5.7481 -0.8011 -0.8003 1.0421 1.0456 1.2322 1.2333 6.8475 6.8594 7.1554 7.1694 7.6997 7.7391 7.8399 7.8527 8.2290 8.2304 8.8838 8.8844 9.2917 9.2986 9.3394 9.3409 9.8267 9.8356 13.2109 13.2174 13.3806 13.3872 13.5676 13.5797 15.0519 15.0526 k = 0.2672 0.2679-0.0000 ( 2742 PWs) bands (ev): -46.1183 -46.1183 -22.8255 -22.8244 -22.1880 -22.1861 -22.1499 -22.1494 -14.2813 -14.2812 -6.4707 -6.4661 -5.8471 -5.8393 -5.7456 -5.7436 -0.7988 -0.7980 1.0434 1.0471 1.2340 1.2348 6.8002 6.8114 7.1027 7.1153 7.6371 7.6708 7.8264 7.8352 8.1922 8.1936 8.8785 8.8786 9.2782 9.2823 9.3244 9.3296 9.8374 9.8449 13.2565 13.2628 13.4212 13.4275 13.6172 13.6289 15.0717 15.0724 k = 0.2762 0.2768-0.0000 ( 2736 PWs) bands (ev): -46.1183 -46.1183 -22.8263 -22.8251 -22.1893 -22.1875 -22.1502 -22.1497 -14.2761 -14.2760 -6.4623 -6.4576 -5.8457 -5.8379 -5.7415 -5.7395 -0.7970 -0.7961 1.0441 1.0479 1.2350 1.2356 6.7542 6.7646 7.0504 7.0618 7.5728 7.6023 7.8133 7.8198 8.1563 8.1576 8.8778 8.8787 9.2477 9.2500 9.3267 9.3346 9.8499 9.8560 13.3018 13.3078 13.4608 13.4670 13.6661 13.6773 15.0908 15.0914 k = 0.2851 0.2857-0.0000 ( 2736 PWs) bands (ev): -46.1182 -46.1182 -22.8271 -22.8260 -22.1906 -22.1888 -22.1506 -22.1500 -14.2709 -14.2709 -6.4531 -6.4484 -5.8444 -5.8366 -5.7378 -5.7358 -0.7956 -0.7947 1.0441 1.0481 1.2355 1.2357 6.7094 6.7192 6.9987 7.0090 7.5079 7.5342 7.8006 7.8055 8.1214 8.1227 8.8822 8.8839 9.2130 9.2148 9.3336 9.3432 9.8638 9.8687 13.3465 13.3524 13.4994 13.5054 13.7143 13.7250 15.1091 15.1096 k = 0.2940 0.2946-0.0000 ( 2732 PWs) bands (ev): -46.1182 -46.1182 -22.8278 -22.8267 -22.1919 -22.1901 -22.1509 -22.1503 -14.2659 -14.2659 -6.4430 -6.4383 -5.8431 -5.8352 -5.7347 -5.7325 -0.7946 -0.7938 1.0432 1.0474 1.2355 1.2356 6.6661 6.6752 6.9479 6.9570 7.4431 7.4666 7.7881 7.7919 8.0874 8.0887 8.8913 8.8941 9.1777 9.1791 9.3417 9.3526 9.8791 9.8828 13.3907 13.3963 13.5370 13.5428 13.7615 13.7718 15.1264 15.1269 k = 0.3029 0.3036-0.0000 ( 2734 PWs) bands (ev): -46.1181 -46.1181 -22.8286 -22.8275 -22.1932 -22.1915 -22.1512 -22.1507 -14.2611 -14.2610 -6.4321 -6.4274 -5.8418 -5.8338 -5.7321 -5.7299 -0.7941 -0.7933 1.0415 1.0458 1.2351 1.2354 6.6240 6.6325 6.8981 6.9060 7.3790 7.4000 7.7759 7.7790 8.0545 8.0558 8.9050 8.9089 9.1424 9.1437 9.3502 9.3624 9.8955 9.8981 13.4340 13.4395 13.5734 13.5790 13.8076 13.8175 15.1429 15.1433 k = 0.3118 0.3125-0.0000 ( 2730 PWs) bands (ev): -46.1181 -46.1181 -22.8294 -22.8283 -22.1945 -22.1928 -22.1515 -22.1510 -14.2564 -14.2563 -6.4205 -6.4157 -5.8405 -5.8325 -5.7301 -5.7279 -0.7940 -0.7932 1.0388 1.0432 1.2346 1.2352 6.5834 6.5912 6.8495 6.8563 7.3158 7.3346 7.7640 7.7666 8.0227 8.0241 8.9228 8.9280 9.1077 9.1089 9.3588 9.3724 9.9129 9.9145 13.4765 13.4818 13.6086 13.6140 13.8527 13.8620 15.1585 15.1589 k = 0.3207 0.3214-0.0000 ( 2730 PWs) bands (ev): -46.1180 -46.1180 -22.8301 -22.8291 -22.1957 -22.1940 -22.1518 -22.1513 -14.2518 -14.2518 -6.4080 -6.4033 -5.8392 -5.8312 -5.7288 -5.7265 -0.7944 -0.7935 1.0352 1.0397 1.2342 1.2350 6.5441 6.5513 6.8023 6.8080 7.2539 7.2707 7.7525 7.7547 7.9921 7.9934 8.9445 8.9510 9.0737 9.0749 9.3675 9.3825 9.9310 9.9317 13.5180 13.5230 13.6426 13.6477 13.8964 13.9053 15.1733 15.1736 k = 0.3296 0.3304-0.0000 ( 2732 PWs) bands (ev): -46.1180 -46.1180 -22.8309 -22.8298 -22.1969 -22.1953 -22.1521 -22.1516 -14.2475 -14.2474 -6.3949 -6.3901 -5.8380 -5.8299 -5.7282 -5.7259 -0.7951 -0.7943 1.0306 1.0351 1.2341 1.2351 6.5062 6.5128 6.7566 6.7612 7.1936 7.2085 7.7414 7.7432 7.9626 7.9640 8.9693 8.9774 9.0407 9.0420 9.3762 9.3926 9.9496 9.9497 13.5584 13.5631 13.6752 13.6802 13.9388 13.9472 15.1871 15.1873 k = 0.3385 0.3393-0.0000 ( 2736 PWs) bands (ev): -46.1179 -46.1179 -22.8316 -22.8306 -22.1981 -22.1965 -22.1524 -22.1519 -14.2433 -14.2432 -6.3810 -6.3762 -5.8368 -5.8287 -5.7284 -5.7260 -0.7961 -0.7953 1.0251 1.0296 1.2342 1.2354 6.4698 6.4756 6.7127 6.7162 7.1351 7.1483 7.7306 7.7323 7.9344 7.9358 8.9942 9.0031 9.0125 9.0130 9.3848 9.4027 9.9679 9.9687 13.5975 13.6020 13.7065 13.7112 13.9796 13.9876 15.2000 15.2002 k = 0.3474 0.3482-0.0000 ( 2730 PWs) bands (ev): -46.1179 -46.1179 -22.8322 -22.8313 -22.1992 -22.1976 -22.1526 -22.1521 -14.2393 -14.2392 -6.3664 -6.3617 -5.8356 -5.8274 -5.7294 -5.7269 -0.7974 -0.7967 1.0188 1.0232 1.2348 1.2360 6.4347 6.4399 6.6706 6.6731 7.0786 7.0902 7.7203 7.7218 7.9074 7.9089 8.9766 8.9767 9.0300 9.0400 9.3934 9.4128 9.9865 9.9880 13.6352 13.6395 13.7364 13.7409 14.0188 14.0263 15.2121 15.2122 k = 0.3563 0.3571-0.0000 ( 2726 PWs) bands (ev): -46.1178 -46.1178 -22.8328 -22.8319 -22.2002 -22.1987 -22.1528 -22.1524 -14.2355 -14.2354 -6.3513 -6.3466 -5.8345 -5.8262 -5.7312 -5.7286 -0.7991 -0.7984 1.0118 1.0161 1.2357 1.2369 6.4011 6.4057 6.6306 6.6320 7.0243 7.0345 7.7104 7.7118 7.8817 7.8832 8.9471 8.9473 9.0619 9.0741 9.4018 9.4230 10.0051 10.0072 13.6715 13.6756 13.7648 13.7691 14.0563 14.0634 15.2233 15.2234 k = 0.3652 0.3661-0.0000 ( 2730 PWs) bands (ev): -46.1178 -46.1178 -22.8335 -22.8326 -22.2013 -22.1998 -22.1531 -22.1527 -14.2319 -14.2318 -6.3357 -6.3310 -5.8335 -5.8251 -5.7338 -5.7310 -0.8009 -0.8003 1.0042 1.0084 1.2369 1.2382 6.3689 6.3728 6.5927 6.5931 6.9724 6.9812 7.7010 7.7023 7.8574 7.8588 8.9186 8.9189 9.0956 9.1098 9.4101 9.4331 10.0237 10.0263 13.7062 13.7100 13.7917 13.7958 14.0920 14.0986 15.2336 15.2336 k = 0.3741 0.3750-0.0000 ( 2730 PWs) bands (ev): -46.1177 -46.1177 -22.8340 -22.8332 -22.2022 -22.2009 -22.1533 -22.1529 -14.2285 -14.2284 -6.3196 -6.3150 -5.8325 -5.8240 -5.7373 -5.7343 -0.8030 -0.8024 0.9963 1.0003 1.2384 1.2397 6.3382 6.3415 6.5566 6.5571 6.9231 6.9306 7.6922 7.6935 7.8343 7.8358 8.8915 8.8919 9.1302 9.1466 9.4183 9.4433 10.0420 10.0451 13.7392 13.7428 13.8172 13.8210 14.1257 14.1319 15.2430 15.2431 k = 0.3831 0.3839-0.0000 ( 2734 PWs) bands (ev): -46.1177 -46.1177 -22.8346 -22.8338 -22.2031 -22.2019 -22.1535 -22.1531 -14.2253 -14.2253 -6.3033 -6.2987 -5.8316 -5.8229 -5.7416 -5.7383 -0.8052 -0.8046 0.9881 0.9919 1.2402 1.2415 6.3090 6.3116 6.5225 6.5239 6.8765 6.8829 7.6839 7.6852 7.8125 7.8141 8.8658 8.8662 9.1650 9.1837 9.4265 9.4536 10.0599 10.0633 13.7704 13.7737 13.8410 13.8446 14.1575 14.1632 15.2517 15.2517 k = 0.3920 0.3929-0.0000 ( 2736 PWs) bands (ev): -46.1177 -46.1177 -22.8351 -22.8344 -22.2040 -22.2028 -22.1537 -22.1534 -14.2223 -14.2223 -6.2867 -6.2822 -5.8307 -5.8219 -5.7466 -5.7430 -0.8075 -0.8070 0.9799 0.9834 1.2421 1.2434 6.2813 6.2833 6.4911 6.4932 6.8328 6.8380 7.6763 7.6775 7.7921 7.7937 8.8418 8.8422 9.1994 9.2206 9.4347 9.4640 10.0773 10.0809 13.7997 13.8028 13.8633 13.8666 14.1871 14.1924 15.2595 15.2595 k = 0.4009 0.4018-0.0000 ( 2738 PWs) bands (ev): -46.1176 -46.1176 -22.8356 -22.8349 -22.2048 -22.2036 -22.1539 -22.1536 -14.2196 -14.2196 -6.2700 -6.2656 -5.8300 -5.8210 -5.7523 -5.7484 -0.8098 -0.8094 0.9717 0.9751 1.2442 1.2454 6.2553 6.2567 6.4623 6.4651 6.7919 6.7962 7.6693 7.6706 7.7731 7.7747 8.8194 8.8197 9.2328 9.2565 9.4430 9.4745 10.0939 10.0977 13.8270 13.8298 13.8840 13.8870 14.2145 14.2194 15.2666 15.2666 k = 0.4098 0.4107-0.0000 ( 2744 PWs) bands (ev): -46.1176 -46.1176 -22.8361 -22.8354 -22.2055 -22.2045 -22.1541 -22.1538 -14.2171 -14.2171 -6.2535 -6.2492 -5.8294 -5.8201 -5.7587 -5.7543 -0.8121 -0.8118 0.9638 0.9669 1.2463 1.2474 6.2308 6.2318 6.4361 6.4395 6.7542 6.7575 7.6630 7.6643 7.7554 7.7570 8.7987 8.7990 9.2644 9.2907 9.4517 9.4853 10.1096 10.1135 13.8522 13.8548 13.9031 13.9058 14.2398 14.2442 15.2729 15.2729 k = 0.4187 0.4196-0.0000 ( 2744 PWs) bands (ev): -46.1176 -46.1176 -22.8365 -22.8359 -22.2062 -22.2052 -22.1543 -22.1540 -14.2148 -14.2148 -6.2371 -6.2330 -5.8289 -5.8192 -5.7655 -5.7606 -0.8144 -0.8141 0.9563 0.9591 1.2484 1.2494 6.2082 6.2087 6.4128 6.4165 6.7195 6.7221 7.6575 7.6588 7.7390 7.7407 8.7798 8.7801 9.2938 9.3222 9.4610 9.4964 10.1243 10.1282 13.8753 13.8776 13.9205 13.9230 14.2627 14.2667 15.2785 15.2785 k = 0.4276 0.4286-0.0000 ( 2740 PWs) bands (ev): -46.1176 -46.1176 -22.8368 -22.8363 -22.2067 -22.2059 -22.1544 -22.1541 -14.2128 -14.2128 -6.2213 -6.2173 -5.8285 -5.8185 -5.7728 -5.7672 -0.8166 -0.8163 0.9492 0.9518 1.2504 1.2514 6.1875 6.1877 6.3922 6.3961 6.6882 6.6900 7.6528 7.6541 7.7240 7.7257 8.7627 8.7630 9.3204 9.3501 9.4715 9.5077 10.1379 10.1417 13.8961 13.8981 13.9363 13.9385 14.2833 14.2869 15.2834 15.2835 k = 0.4365 0.4375-0.0000 ( 2734 PWs) bands (ev): -46.1175 -46.1175 -22.8371 -22.8366 -22.2072 -22.2064 -22.1544 -22.1542 -14.2110 -14.2110 -6.2061 -6.2024 -5.8282 -5.8178 -5.7802 -5.7739 -0.8187 -0.8184 0.9428 0.9450 1.2524 1.2532 6.1687 6.1687 6.3742 6.3782 6.6601 6.6614 7.6489 7.6503 7.7103 7.7120 8.7475 8.7478 9.3438 9.3735 9.4834 9.5191 10.1503 10.1539 13.9146 13.9163 13.9504 13.9522 14.3016 14.3047 15.2877 15.2877 k = 0.4454 0.4464-0.0000 ( 2740 PWs) bands (ev): -46.1175 -46.1175 -22.8374 -22.8370 -22.2077 -22.2070 -22.1546 -22.1544 -14.2094 -14.2094 -6.1918 -6.1884 -5.8282 -5.8172 -5.7875 -5.7804 -0.8205 -0.8203 0.9370 0.9390 1.2541 1.2548 6.1519 6.1521 6.3590 6.3628 6.6355 6.6364 7.6460 7.6474 7.6980 7.6997 8.7342 8.7344 9.3638 9.3919 9.4969 9.5303 10.1614 10.1646 13.9307 13.9322 13.9628 13.9643 14.3175 14.3202 15.2913 15.2914 k = 0.4543 0.4554-0.0000 ( 2734 PWs) bands (ev): -46.1175 -46.1175 -22.8376 -22.8372 -22.2080 -22.2074 -22.1546 -22.1545 -14.2081 -14.2081 -6.1788 -6.1758 -5.8282 -5.8168 -5.7945 -5.7865 -0.8222 -0.8220 0.9321 0.9337 1.2557 1.2563 6.1374 6.1377 6.3463 6.3498 6.6144 6.6149 7.6439 7.6454 7.6869 7.6886 8.7229 8.7231 9.3806 9.4053 9.5115 9.5408 10.1710 10.1738 13.9445 13.9456 13.9735 13.9747 14.3311 14.3333 15.2944 15.2944 k = 0.4632 0.4643-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8377 -22.8374 -22.2082 -22.2078 -22.1547 -22.1546 -14.2070 -14.2069 -6.1673 -6.1647 -5.8283 -5.8168 -5.8006 -5.7921 -0.8236 -0.8235 0.9279 0.9292 1.2571 1.2575 6.1254 6.1257 6.3361 6.3392 6.5969 6.5972 7.6429 7.6444 7.6772 7.6789 8.7135 8.7137 9.3941 9.4146 9.5260 9.5502 10.1790 10.1815 13.9557 13.9566 13.9824 13.9833 14.3423 14.3441 15.2968 15.2969 k = 0.4721 0.4732-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8379 -22.8376 -22.2085 -22.2081 -22.1547 -22.1546 -14.2061 -14.2061 -6.1577 -6.1557 -5.8283 -5.8178 -5.8051 -5.7968 -0.8247 -0.8247 0.9246 0.9256 1.2581 1.2585 6.1159 6.1162 6.3283 6.3308 6.5831 6.5832 7.6428 7.6444 7.6688 7.6705 8.7061 8.7063 9.4048 9.4204 9.5392 9.5577 10.1855 10.1875 13.9646 13.9652 13.9895 13.9901 14.3511 14.3524 15.2987 15.2988 k = 0.4810 0.4821-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8379 -22.8378 -22.2086 -22.2084 -22.1547 -22.1547 -14.2055 -14.2055 -6.1504 -6.1489 -5.8281 -5.8200 -5.8071 -5.8007 -0.8256 -0.8255 0.9223 0.9230 1.2590 1.2592 6.1090 6.1092 6.3229 6.3246 6.5730 6.5730 7.6438 7.6454 7.6617 7.6633 8.7008 8.7009 9.4130 9.4235 9.5502 9.5628 10.1904 10.1917 13.9709 13.9713 13.9947 13.9951 14.3575 14.3584 15.3001 15.3001 k = 0.4899 0.4911-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8379 -22.2087 -22.2086 -22.1548 -22.1547 -14.2051 -14.2051 -6.1455 -6.1447 -5.8273 -5.8229 -5.8073 -5.8037 -0.8261 -0.8261 0.9209 0.9212 1.2595 1.2597 6.1047 6.1048 6.3197 6.3206 6.5667 6.5667 7.6458 7.6473 7.6560 7.6575 8.6975 8.6975 9.4188 9.4243 9.5584 9.5651 10.1935 10.1942 13.9749 13.9751 13.9980 13.9982 14.3615 14.3620 15.3009 15.3010 k = 0.4989 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1434 -6.1433 -5.8258 -5.8253 -5.8062 -5.8058 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1031 6.3187 6.3188 6.5642 6.5643 7.6483 7.6487 7.6531 7.6535 8.6962 8.6963 9.4225 9.4231 9.5634 9.5642 10.1949 10.1950 13.9765 13.9765 13.9993 13.9993 14.3632 14.3633 15.3013 15.3013 k = 0.4989 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1434 -6.1433 -5.8258 -5.8253 -5.8062 -5.8058 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1031 6.3187 6.3188 6.5642 6.5643 7.6483 7.6487 7.6531 7.6535 8.6962 8.6963 9.4225 9.4231 9.5634 9.5642 10.1949 10.1950 13.9765 13.9765 13.9993 13.9993 14.3632 14.3633 15.3013 15.3013 k = 0.4864 0.5000-0.0000 ( 2724 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8379 -22.2087 -22.2086 -22.1547 -22.1547 -14.2051 -14.2051 -6.1453 -6.1447 -5.8267 -5.8234 -5.8069 -5.8043 -0.8261 -0.8261 0.9208 0.9211 1.2595 1.2596 6.1047 6.1048 6.3199 6.3206 6.5661 6.5662 7.6467 7.6481 7.6551 7.6564 8.6974 8.6974 9.4194 9.4235 9.5597 9.5645 10.1937 10.1942 13.9751 13.9752 13.9981 13.9982 14.3617 14.3621 15.3010 15.3010 k = 0.4739 0.5000-0.0000 ( 2724 PWs) bands (ev): -46.1175 -46.1175 -22.8379 -22.8378 -22.2086 -22.2084 -22.1547 -22.1547 -14.2054 -14.2054 -6.1499 -6.1488 -5.8266 -5.8206 -5.8069 -5.8021 -0.8256 -0.8256 0.9222 0.9227 1.2590 1.2592 6.1090 6.1092 6.3237 6.3250 6.5712 6.5712 7.6454 7.6468 7.6599 7.6614 8.7006 8.7006 9.4141 9.4215 9.5532 9.5621 10.1908 10.1917 13.9709 13.9711 13.9955 13.9958 14.3579 14.3586 15.3003 15.3003 k = 0.4614 0.5000-0.0000 ( 2726 PWs) bands (ev): -46.1175 -46.1175 -22.8378 -22.8377 -22.2084 -22.2082 -22.1547 -22.1546 -14.2060 -14.2060 -6.1571 -6.1556 -5.8255 -5.8171 -5.8062 -5.7994 -0.8248 -0.8248 0.9245 0.9252 1.2582 1.2585 6.1160 6.1163 6.3302 6.3320 6.5795 6.5795 7.6445 7.6457 7.6669 7.6683 8.7057 8.7058 9.4063 9.4173 9.5439 9.5569 10.1861 10.1875 13.9627 13.9630 13.9928 13.9931 14.3519 14.3528 15.2991 15.2991 k = 0.4490 0.5000-0.0000 ( 2735 PWs) bands (ev): -46.1175 -46.1175 -22.8377 -22.8375 -22.2083 -22.2079 -22.1547 -22.1546 -14.2069 -14.2069 -6.1667 -6.1649 -5.8235 -5.8129 -5.8049 -5.7962 -0.8237 -0.8236 0.9278 0.9287 1.2572 1.2575 6.1254 6.1257 6.3392 6.3415 6.5911 6.5912 7.6437 7.6448 7.6759 7.6772 8.7129 8.7130 9.3964 9.4107 9.5321 9.5491 10.1796 10.1814 13.9498 13.9501 13.9908 13.9911 14.3437 14.3449 15.2974 15.2974 k = 0.4365 0.5000-0.0000 ( 2738 PWs) bands (ev): -46.1175 -46.1175 -22.8376 -22.8373 -22.2080 -22.2076 -22.1546 -22.1545 -14.2079 -14.2079 -6.1784 -6.1764 -5.8208 -5.8082 -5.8029 -5.7925 -0.8223 -0.8222 0.9319 0.9330 1.2558 1.2562 6.1368 6.1372 6.3509 6.3535 6.6063 6.6066 7.6430 7.6439 7.6871 7.6882 8.7219 8.7221 9.3842 9.4018 9.5177 9.5387 10.1714 10.1735 13.9323 13.9325 13.9895 13.9897 14.3335 14.3350 15.2951 15.2951 k = 0.4240 0.5000-0.0000 ( 2740 PWs) bands (ev): -46.1175 -46.1175 -22.8374 -22.8371 -22.2076 -22.2072 -22.1546 -22.1544 -14.2092 -14.2092 -6.1922 -6.1900 -5.8174 -5.8033 -5.8002 -5.7886 -0.8206 -0.8205 0.9370 0.9382 1.2543 1.2548 6.1499 6.1502 6.3653 6.3683 6.6252 6.6257 7.6422 7.6431 7.7003 7.7014 8.7329 8.7331 9.3698 9.3906 9.5011 9.5259 10.1613 10.1637 13.9106 13.9107 13.9884 13.9887 14.3214 14.3232 15.2923 15.2923 k = 0.4116 0.5000-0.0000 ( 2741 PWs) bands (ev): -46.1175 -46.1175 -22.8371 -22.8368 -22.2072 -22.2067 -22.1545 -22.1543 -14.2107 -14.2107 -6.2077 -6.2054 -5.8134 -5.7989 -5.7963 -5.7844 -0.8187 -0.8184 0.9429 0.9443 1.2525 1.2531 6.1640 6.1643 6.3827 6.3857 6.6480 6.6488 7.6415 7.6423 7.7157 7.7167 8.7458 8.7460 9.3533 9.3772 9.4825 9.5109 10.1493 10.1520 13.8848 13.8849 13.9876 13.9878 14.3076 14.3097 15.2887 15.2887 k = 0.3991 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.1176 -46.1176 -22.8368 -22.8365 -22.2068 -22.2062 -22.1543 -22.1542 -14.2124 -14.2124 -6.2247 -6.2224 -5.8090 -5.7956 -5.7907 -5.7800 -0.8164 -0.8161 0.9497 0.9513 1.2506 1.2512 6.1787 6.1789 6.4031 6.4061 6.6748 6.6760 7.6407 7.6414 7.7331 7.7340 8.7606 8.7608 9.3347 9.3614 9.4622 9.4938 10.1353 10.1383 13.8554 13.8554 13.9869 13.9870 14.2923 14.2947 15.2845 15.2845 k = 0.3866 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.1176 -46.1176 -22.8365 -22.8361 -22.2062 -22.2056 -22.1542 -22.1540 -14.2142 -14.2142 -6.2431 -6.2407 -5.8043 -5.7925 -5.7845 -5.7753 -0.8139 -0.8136 0.9573 0.9590 1.2485 1.2491 6.1935 6.1935 6.4268 6.4295 6.7056 6.7074 7.6399 7.6404 7.7525 7.7533 8.7772 8.7774 9.3141 9.3432 9.4405 9.4750 10.1192 10.1224 13.8224 13.8224 13.9862 13.9863 14.2758 14.2784 15.2794 15.2794 k = 0.3741 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1176 -46.1176 -22.8361 -22.8357 -22.2057 -22.2049 -22.1540 -22.1538 -14.2163 -14.2163 -6.2626 -6.2602 -5.7997 -5.7895 -5.7777 -5.7704 -0.8112 -0.8108 0.9657 0.9675 1.2463 1.2470 6.2077 6.2080 6.4539 6.4562 6.7404 6.7429 7.6390 7.6395 7.7737 7.7745 8.7955 8.7957 9.2916 9.3224 9.4181 9.4548 10.1010 10.1044 13.7861 13.7861 13.9854 13.9855 14.2582 14.2611 15.2734 15.2734 k = 0.3617 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1176 -46.1176 -22.8357 -22.8353 -22.2050 -22.2043 -22.1538 -22.1536 -14.2185 -14.2185 -6.2830 -6.2807 -5.7952 -5.7868 -5.7706 -5.7650 -0.8082 -0.8078 0.9749 0.9767 1.2441 1.2448 6.2210 6.2216 6.4845 6.4863 6.7791 6.7823 7.6380 7.6385 7.7967 7.7974 8.8155 8.8158 9.2673 9.2990 9.3954 9.4335 10.0806 10.0842 13.7467 13.7467 13.9847 13.9848 14.2398 14.2429 15.2663 15.2664 k = 0.3492 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1177 -46.1177 -22.8353 -22.8348 -22.2043 -22.2035 -22.1536 -22.1534 -14.2208 -14.2208 -6.3042 -6.3021 -5.7910 -5.7844 -5.7631 -5.7591 -0.8051 -0.8045 0.9848 0.9867 1.2419 1.2426 6.2334 6.2344 6.5186 6.5198 6.8215 6.8254 7.6371 7.6374 7.8214 7.8220 8.8372 8.8375 9.2411 9.2728 9.3731 9.4115 10.0579 10.0616 13.7044 13.7045 13.9840 13.9840 14.2209 14.2242 15.2581 15.2583 k = 0.3367 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.1177 -46.1177 -22.8348 -22.8343 -22.2036 -22.2028 -22.1534 -22.1531 -14.2233 -14.2233 -6.3261 -6.3240 -5.7875 -5.7824 -5.7551 -5.7526 -0.8017 -0.8011 0.9953 0.9972 1.2397 1.2404 6.2448 6.2461 6.5563 6.5567 6.8672 6.8719 7.6360 7.6363 7.8475 7.8481 8.8604 8.8607 9.2131 9.2439 9.3515 9.3893 10.0329 10.0365 13.6595 13.6595 13.9832 13.9832 14.2016 14.2051 15.2486 15.2488 k = 0.3243 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.1177 -46.1177 -22.8344 -22.8338 -22.2029 -22.2020 -22.1531 -22.1528 -14.2259 -14.2259 -6.3485 -6.3465 -5.7846 -5.7808 -5.7469 -5.7455 -0.7982 -0.7975 1.0064 1.0083 1.2376 1.2383 6.2551 6.2568 6.5969 6.5972 6.9158 6.9213 7.6350 7.6352 7.8751 7.8756 8.8852 8.8855 9.1834 9.2123 9.3310 9.3672 10.0054 10.0090 13.6121 13.6122 13.9824 13.9824 14.1822 14.1860 15.2377 15.2380 k = 0.3118 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1178 -46.1178 -22.8339 -22.8333 -22.2021 -22.2012 -22.1528 -22.1525 -14.2286 -14.2286 -6.3711 -6.3693 -5.7824 -5.7795 -5.7383 -5.7378 -0.7946 -0.7938 1.0180 1.0199 1.2356 1.2363 6.2645 6.2665 6.6402 6.6412 6.9668 6.9733 7.6339 7.6341 7.9039 7.9043 8.9113 8.9116 9.1521 9.1784 9.3119 9.3459 9.9754 9.9790 13.5626 13.5627 13.9816 13.9816 14.1630 14.1670 15.2252 15.2256 k = 0.2993 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1178 -46.1178 -22.8334 -22.8328 -22.2014 -22.2004 -22.1525 -22.1522 -14.2314 -14.2314 -6.3941 -6.3923 -5.7809 -5.7787 -5.7296 -5.7295 -0.7908 -0.7899 1.0301 1.0318 1.2339 1.2345 6.2731 6.2754 6.6865 6.6882 7.0198 7.0272 7.6328 7.6330 7.9337 7.9341 8.9388 8.9390 9.1193 9.1426 9.2946 9.3259 9.9429 9.9464 13.5111 13.5112 13.9807 13.9807 14.1442 14.1484 15.2110 15.2115 k = 0.2868 0.5000-0.0000 ( 2744 PWs) bands (ev): -46.1178 -46.1178 -22.8328 -22.8322 -22.2006 -22.1996 -22.1521 -22.1518 -14.2342 -14.2342 -6.4170 -6.4154 -5.7799 -5.7783 -5.7209 -5.7204 -0.7870 -0.7860 1.0424 1.0441 1.2324 1.2330 6.2811 6.2836 6.7355 6.7380 7.0741 7.0825 7.6317 7.6318 7.9645 7.9648 8.9674 8.9675 9.0852 9.1052 9.2793 9.3076 9.9078 9.9112 13.4580 13.4581 13.9798 13.9798 14.1259 14.1303 15.1949 15.1955 k = 0.2744 0.5000-0.0000 ( 2748 PWs) bands (ev): -46.1179 -46.1179 -22.8323 -22.8317 -22.1998 -22.1988 -22.1517 -22.1515 -14.2371 -14.2371 -6.4400 -6.4385 -5.7794 -5.7783 -5.7120 -5.7112 -0.7831 -0.7820 1.0548 1.0565 1.2313 1.2319 6.2884 6.2912 6.7870 6.7904 7.1291 7.1385 7.6306 7.6307 7.9960 7.9962 8.9968 8.9971 9.0503 9.0666 9.2662 9.2915 9.8700 9.8732 13.4035 13.4036 13.9788 13.9789 14.1084 14.1129 15.1767 15.1774 k = 0.2619 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.1179 -46.1179 -22.8318 -22.8312 -22.1990 -22.1981 -22.1513 -22.1511 -14.2400 -14.2400 -6.4628 -6.4614 -5.7795 -5.7786 -5.7029 -5.7018 -0.7791 -0.7780 1.0673 1.0689 1.2307 1.2312 6.2953 6.2983 6.8410 6.8452 7.1842 7.1946 7.6295 7.6295 8.0280 8.0282 9.0100 9.0251 9.0297 9.0313 9.2559 9.2782 9.8296 9.8326 13.3479 13.3480 13.9779 13.9780 14.0917 14.0965 15.1563 15.1572 k = 0.2494 0.5000-0.0000 ( 2751 PWs) bands (ev): -46.1180 -46.1180 -22.8312 -22.8306 -22.1982 -22.1973 -22.1509 -22.1506 -14.2430 -14.2430 -6.4853 -6.4840 -5.7799 -5.7793 -5.6936 -5.6925 -0.7751 -0.7739 1.0797 1.0811 1.2306 1.2311 6.3018 6.3050 6.8971 6.9021 7.2387 7.2502 7.6284 7.6284 8.0604 8.0605 8.9749 8.9868 9.0594 9.0607 9.2486 9.2681 9.7866 9.7893 13.2915 13.2916 13.9769 13.9770 14.0761 14.0811 15.1336 15.1347 k = 0.2370 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.1180 -46.1180 -22.8307 -22.8301 -22.1975 -22.1965 -22.1504 -22.1502 -14.2459 -14.2459 -6.5075 -6.5063 -5.7807 -5.7802 -5.6843 -5.6831 -0.7711 -0.7699 1.0917 1.0930 1.2312 1.2316 6.3081 6.3114 6.9551 6.9611 7.2920 7.3045 7.6273 7.6273 8.0930 8.0930 8.9373 8.9464 9.0914 9.0927 9.2448 9.2616 9.7409 9.7434 13.2345 13.2347 13.9758 13.9760 14.0617 14.0669 15.1083 15.1096 k = 0.2245 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.1180 -46.1180 -22.8301 -22.8295 -22.1967 -22.1958 -22.1500 -22.1497 -14.2488 -14.2488 -6.5292 -6.5281 -5.7818 -5.7814 -5.6750 -5.6738 -0.7672 -0.7659 1.1032 1.1043 1.2327 1.2330 6.3140 6.3175 7.0149 7.0219 7.3433 7.3571 7.6262 7.6262 8.1255 8.1256 8.8993 8.9061 9.1239 9.1253 9.2450 9.2592 9.6928 9.6948 13.1774 13.1775 13.9747 13.9749 14.0486 14.0539 15.0805 15.0820 k = 0.2120 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.1181 -46.1181 -22.8296 -22.8290 -22.1960 -22.1951 -22.1495 -22.1492 -14.2517 -14.2517 -6.5503 -6.5493 -5.7831 -5.7829 -5.6658 -5.6646 -0.7633 -0.7620 1.1139 1.1149 1.2351 1.2353 6.3198 6.3234 7.0761 7.0843 7.3923 7.4073 7.6251 7.6252 8.1577 8.1580 8.8613 8.8662 9.1566 9.1582 9.2494 9.2612 9.6421 9.6437 13.1204 13.1205 13.9736 13.9738 14.0367 14.0423 15.0501 15.0518 k = 0.1995 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.1181 -46.1181 -22.8291 -22.8285 -22.1953 -22.1945 -22.1490 -22.1488 -14.2545 -14.2545 -6.5707 -6.5698 -5.7847 -5.7845 -5.6567 -5.6556 -0.7595 -0.7581 1.1236 1.1244 1.2386 1.2387 6.3254 6.3290 7.1384 7.1480 7.4384 7.4549 7.6241 7.6242 8.1895 8.1899 8.8236 8.8268 9.1891 9.1912 9.2584 9.2677 9.5891 9.5901 13.0637 13.0639 13.9724 13.9727 14.0263 14.0321 15.0170 15.0190 k = 0.1871 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8286 -22.8280 -22.1947 -22.1938 -22.1485 -22.1483 -14.2572 -14.2572 -6.5904 -6.5896 -5.7864 -5.7863 -5.6479 -5.6468 -0.7558 -0.7544 1.1321 1.1328 1.2432 1.2432 6.3308 6.3345 7.2013 7.2124 7.4816 7.4997 7.6231 7.6233 8.2207 8.2212 8.7865 8.7883 9.2210 9.2240 9.2723 9.2787 9.5340 9.5342 13.0079 13.0080 13.9711 13.9714 14.0173 14.0232 14.9813 14.9836 k = 0.1746 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.1182 -46.1182 -22.8281 -22.8276 -22.1941 -22.1933 -22.1480 -22.1478 -14.2599 -14.2599 -6.6093 -6.6085 -5.7882 -5.7881 -5.6394 -5.6383 -0.7522 -0.7509 1.1394 1.1399 1.2489 1.2490 6.3361 6.3398 7.2641 7.2771 7.5219 7.5418 7.6222 7.6224 8.2510 8.2516 8.7502 8.7510 9.2519 9.2561 9.2911 9.2939 9.4762 9.4774 12.9532 12.9533 13.9698 13.9701 14.0097 14.0157 14.9433 14.9459 k = 0.1621 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1182 -46.1182 -22.8277 -22.8271 -22.1935 -22.1927 -22.1475 -22.1473 -14.2624 -14.2624 -6.6272 -6.6265 -5.7901 -5.7901 -5.6311 -5.6302 -0.7488 -0.7474 1.1455 1.1458 1.2555 1.2557 6.3413 6.3450 7.3258 7.3410 7.5600 7.5820 7.6213 7.6216 8.2803 8.2810 8.7151 8.7151 9.2815 9.2870 9.3114 9.3138 9.4171 9.4214 12.8999 12.9000 13.9685 13.9688 14.0034 14.0096 14.9033 14.9061 k = 0.1497 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1182 -46.1182 -22.8272 -22.8267 -22.1930 -22.1922 -22.1470 -22.1468 -14.2648 -14.2648 -6.6440 -6.6434 -5.7920 -5.7920 -5.6233 -5.6224 -0.7455 -0.7442 1.1504 1.1506 1.2630 1.2633 6.3462 6.3499 7.3850 7.4024 7.5972 7.6197 7.6207 7.6227 8.3084 8.3092 8.6808 8.6814 9.3077 9.3105 9.3231 9.3327 9.3662 9.3795 12.8485 12.8486 13.9672 13.9674 13.9985 14.0047 14.8615 14.8646 k = 0.1372 0.5000-0.0000 ( 2759 PWs) bands (ev): -46.1183 -46.1183 -22.8268 -22.8263 -22.1925 -22.1918 -22.1465 -22.1464 -14.2671 -14.2671 -6.6599 -6.6593 -5.7939 -5.7939 -5.6159 -5.6151 -0.7424 -0.7412 1.1542 1.1544 1.2711 1.2714 6.3510 6.3546 7.4394 7.4587 7.6191 7.6200 7.6376 7.6626 8.3349 8.3359 8.6484 8.6494 9.2733 9.2797 9.3441 9.3485 9.3771 9.3852 12.7992 12.7993 13.9659 13.9661 13.9948 14.0010 14.8187 14.8220 k = 0.1247 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.1183 -46.1183 -22.8264 -22.8259 -22.1920 -22.1914 -22.1460 -22.1459 -14.2692 -14.2692 -6.6745 -6.6741 -5.7958 -5.7958 -5.6090 -5.6083 -0.7396 -0.7384 1.1573 1.1574 1.2794 1.2796 6.3556 6.3591 7.4868 7.5064 7.6187 7.6195 7.6821 7.7075 8.3599 8.3609 8.6180 8.6193 9.2122 9.2162 9.3723 9.3770 9.4061 9.4109 12.7525 12.7526 13.9648 13.9649 13.9921 13.9982 14.7753 14.7788 k = 0.1122 0.5000-0.0000 ( 2753 PWs) bands (ev): -46.1183 -46.1183 -22.8260 -22.8256 -22.1915 -22.1910 -22.1456 -22.1454 -14.2712 -14.2712 -6.6880 -6.6876 -5.7976 -5.7976 -5.6026 -5.6020 -0.7369 -0.7358 1.1597 1.1598 1.2876 1.2879 6.3600 6.3633 7.5252 7.5433 7.6182 7.6190 7.7348 7.7583 8.3829 8.3841 8.5900 8.5913 9.1465 9.1492 9.4011 9.4051 9.4367 9.4404 12.7088 12.7089 13.9639 13.9639 13.9903 13.9963 14.7321 14.7358 k = 0.0998 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.1183 -46.1183 -22.8256 -22.8253 -22.1911 -22.1906 -22.1451 -22.1450 -14.2730 -14.2730 -6.7002 -6.6998 -5.7993 -5.7993 -5.5968 -5.5962 -0.7345 -0.7334 1.1616 1.1617 1.2956 1.2959 6.3641 6.3671 7.5543 7.5696 7.6177 7.6187 7.7952 7.8155 8.4040 8.4053 8.5644 8.5657 9.0786 9.0804 9.4286 9.4317 9.4675 9.4708 12.6684 12.6685 13.9632 13.9632 13.9893 13.9951 14.6899 14.6938 k = 0.0873 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1184 -46.1184 -22.8253 -22.8250 -22.1908 -22.1904 -22.1448 -22.1447 -14.2746 -14.2746 -6.7111 -6.7108 -5.8009 -5.8008 -5.5916 -5.5911 -0.7323 -0.7314 1.1631 1.1631 1.3031 1.3033 6.3678 6.3706 7.5753 7.5878 7.6174 7.6186 7.8610 7.8779 8.4228 8.4243 8.5414 8.5426 9.0096 9.0107 9.4539 9.4563 9.4978 9.5009 12.6317 12.6318 13.9627 13.9627 13.9889 13.9945 14.6497 14.6536 k = 0.0748 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1184 -46.1184 -22.8251 -22.8248 -22.1905 -22.1901 -22.1444 -22.1444 -14.2760 -14.2760 -6.7206 -6.7203 -5.8023 -5.8022 -5.5870 -5.5865 -0.7304 -0.7296 1.1643 1.1643 1.3099 1.3101 6.3712 6.3737 7.5900 7.6001 7.6174 7.6188 7.9297 7.9437 8.4393 8.4410 8.5214 8.5222 8.9401 8.9406 9.4766 9.4784 9.5269 9.5296 12.5990 12.5991 13.9624 13.9624 13.9890 13.9943 14.6124 14.6161 k = 0.0624 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1184 -46.1184 -22.8248 -22.8246 -22.1903 -22.1899 -22.1441 -22.1441 -14.2772 -14.2772 -6.7287 -6.7285 -5.8035 -5.8035 -5.5830 -5.5827 -0.7287 -0.7280 1.1652 1.1652 1.3159 1.3161 6.3743 6.3764 7.5998 7.6077 7.6181 7.6195 7.9995 8.0110 8.4530 8.4551 8.5043 8.5046 8.8710 8.8710 9.4963 9.4976 9.5536 9.5560 12.5707 12.5708 13.9622 13.9622 13.9896 13.9945 14.5788 14.5822 k = 0.0499 0.5000-0.0000 ( 2750 PWs) bands (ev): -46.1184 -46.1184 -22.8246 -22.8244 -22.1900 -22.1898 -22.1439 -22.1438 -14.2782 -14.2782 -6.7354 -6.7352 -5.8045 -5.8045 -5.5798 -5.5795 -0.7273 -0.7268 1.1659 1.1660 1.3210 1.3211 6.3768 6.3786 7.6058 7.6112 7.6202 7.6208 8.0686 8.0780 8.4638 8.4663 8.4901 8.4905 8.8032 8.8036 9.5127 9.5136 9.5771 9.5790 12.5471 12.5472 13.9621 13.9622 13.9906 13.9948 14.5499 14.5529 k = 0.0374 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.1184 -46.1184 -22.8244 -22.8243 -22.1898 -22.1896 -22.1436 -22.1436 -14.2790 -14.2790 -6.7406 -6.7405 -5.8053 -5.8053 -5.5772 -5.5770 -0.7262 -0.7258 1.1665 1.1665 1.3250 1.3251 6.3789 6.3803 7.6090 7.6123 7.6226 7.6227 8.1346 8.1421 8.4702 8.4738 8.4795 8.4811 8.7393 8.7399 9.5257 9.5263 9.5963 9.5978 12.5285 12.5285 13.9621 13.9622 13.9917 13.9951 14.5265 14.5290 k = 0.0249 0.5000-0.0000 ( 2749 PWs) bands (ev): -46.1184 -46.1184 -22.8243 -22.8242 -22.1897 -22.1896 -22.1435 -22.1435 -14.2795 -14.2795 -6.7443 -6.7443 -5.8059 -5.8059 -5.5753 -5.5752 -0.7254 -0.7251 1.1668 1.1669 1.3280 1.3280 6.3805 6.3814 7.6107 7.6124 7.6242 7.6246 8.1936 8.1991 8.4687 8.4697 8.4794 8.4800 8.6835 8.6842 9.5351 9.5355 9.6107 9.6117 12.5150 12.5150 13.9622 13.9622 13.9929 13.9953 14.5094 14.5112 k = 0.0125 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.1184 -46.1184 -22.8242 -22.8242 -22.1896 -22.1896 -22.1434 -22.1434 -14.2799 -14.2799 -6.7466 -6.7465 -5.8063 -5.8063 -5.5742 -5.5741 -0.7249 -0.7248 1.1671 1.1671 1.3298 1.3298 6.3816 6.3821 7.6115 7.6123 7.6254 7.6256 8.2381 8.2412 8.4651 8.4651 8.4796 8.4808 8.6432 8.6436 9.5408 9.5410 9.6196 9.6201 12.5068 12.5068 13.9622 13.9623 13.9940 13.9952 14.4991 14.5000 k = 0.0000 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.1184 -46.1184 -22.8242 -22.8242 -22.1896 -22.1896 -22.1434 -22.1434 -14.2800 -14.2800 -6.7473 -6.7473 -5.8064 -5.8064 -5.5738 -5.5738 -0.7247 -0.7247 1.1671 1.1671 1.3304 1.3304 6.3821 6.3821 7.6120 7.6120 7.6259 7.6259 8.2566 8.2566 8.4637 8.4637 8.4796 8.4796 8.6283 8.6283 9.5428 9.5428 9.6228 9.6228 12.5041 12.5041 13.9622 13.9622 13.9947 13.9947 14.4959 14.4959 k = 0.0000 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.1184 -46.1184 -22.8242 -22.8242 -22.1896 -22.1896 -22.1434 -22.1434 -14.2800 -14.2800 -6.7473 -6.7473 -5.8064 -5.8064 -5.5738 -5.5738 -0.7247 -0.7247 1.1671 1.1671 1.3304 1.3304 6.3821 6.3821 7.6120 7.6120 7.6259 7.6259 8.2566 8.2566 8.4637 8.4637 8.4796 8.4796 8.6283 8.6283 9.5428 9.5428 9.6228 9.6228 12.5041 12.5041 13.9622 13.9622 13.9947 13.9947 14.4959 14.4959 k = 0.0000 0.5000 0.0126 ( 2752 PWs) bands (ev): -46.1184 -46.1184 -22.8243 -22.8242 -22.1896 -22.1896 -22.1435 -22.1434 -14.2799 -14.2799 -6.7466 -6.7465 -5.8063 -5.8061 -5.5743 -5.5741 -0.7258 -0.7239 1.1654 1.1687 1.3292 1.3302 6.3815 6.3821 7.6090 7.6141 7.6237 7.6285 8.2484 8.2595 8.3939 8.4088 8.5227 8.5558 8.6159 8.6517 9.5263 9.5431 9.6174 9.6350 12.5054 12.5071 13.9610 13.9632 13.9937 13.9958 14.4991 14.5001 k = 0.0000 0.5000 0.0251 ( 2754 PWs) bands (ev): -46.1184 -46.1184 -22.8244 -22.8242 -22.1896 -22.1895 -22.1437 -22.1435 -14.2795 -14.2795 -6.7445 -6.7442 -5.8059 -5.8055 -5.5754 -5.5751 -0.7273 -0.7235 1.1635 1.1701 1.3268 1.3287 6.3804 6.3814 7.6055 7.6141 7.6230 7.6311 8.2266 8.2586 8.3161 8.3594 8.5588 8.6033 8.6402 8.6949 9.5004 9.5253 9.6207 9.6473 12.5109 12.5143 13.9595 13.9637 13.9927 13.9969 14.5097 14.5116 k = 0.0000 0.5000 0.0377 ( 2754 PWs) bands (ev): -46.1184 -46.1184 -22.8245 -22.8243 -22.1897 -22.1895 -22.1440 -22.1437 -14.2789 -14.2789 -6.7408 -6.7404 -5.8052 -5.8046 -5.5773 -5.5768 -0.7291 -0.7234 1.1613 1.1712 1.3232 1.3260 6.3787 6.3802 7.6014 7.6116 7.6242 7.6335 8.1813 8.2237 8.2722 8.3326 8.5775 8.5976 8.7191 8.7561 9.4687 9.4964 9.6262 9.6563 12.5208 12.5257 13.9579 13.9639 13.9920 13.9979 14.5271 14.5299 k = 0.0000 0.5000 0.0503 ( 2748 PWs) bands (ev): -46.1184 -46.1184 -22.8246 -22.8244 -22.1897 -22.1895 -22.1443 -22.1440 -14.2781 -14.2781 -6.7356 -6.7351 -5.8042 -5.8033 -5.5799 -5.5792 -0.7313 -0.7236 1.1591 1.1721 1.3184 1.3221 6.3765 6.3784 7.5966 7.6076 7.6259 7.6354 8.1180 8.1481 8.2694 8.3235 8.5876 8.5919 8.7987 8.8260 9.4330 9.4616 9.6291 9.6608 12.5350 12.5414 13.9565 13.9639 13.9914 13.9989 14.5508 14.5544 k = 0.0000 0.5000 0.0629 ( 2746 PWs) bands (ev): -46.1184 -46.1184 -22.8248 -22.8245 -22.1898 -22.1895 -22.1448 -22.1444 -14.2770 -14.2770 -6.7290 -6.7283 -5.8028 -5.8017 -5.5832 -5.5823 -0.7337 -0.7243 1.1566 1.1728 1.3124 1.3171 6.3737 6.3761 7.5906 7.6022 7.6274 7.6368 8.0472 8.0706 8.2694 8.3218 8.5874 8.5948 8.8776 8.8991 9.3943 9.4231 9.6281 9.6605 12.5536 12.5613 13.9552 13.9640 13.9911 13.9999 14.5800 14.5841 k = 0.0000 0.5000 0.0754 ( 2746 PWs) bands (ev): -46.1184 -46.1184 -22.8251 -22.8247 -22.1898 -22.1896 -22.1453 -22.1449 -14.2757 -14.2757 -6.7210 -6.7202 -5.8011 -5.7999 -5.5872 -5.5861 -0.7364 -0.7253 1.1539 1.1731 1.3054 1.3110 6.3705 6.3732 7.5826 7.5950 7.6286 7.6375 7.9740 7.9946 8.2687 8.3221 8.5851 8.6016 8.9555 8.9731 9.3537 9.3823 9.6226 9.6553 12.5766 12.5855 13.9544 13.9643 13.9910 14.0009 14.6136 14.6181 k = 0.0000 0.5000 0.0880 ( 2756 PWs) bands (ev): -46.1184 -46.1184 -22.8254 -22.8250 -22.1900 -22.1896 -22.1460 -22.1455 -14.2743 -14.2742 -6.7116 -6.7107 -5.7992 -5.7977 -5.5918 -5.5906 -0.7395 -0.7266 1.1510 1.1730 1.2976 1.3040 6.3669 6.3699 7.5715 7.5852 7.6293 7.6375 7.9010 7.9213 8.2664 8.3213 8.5860 8.6096 9.0321 9.0469 9.3120 9.3404 9.6128 9.6454 12.6040 12.6139 13.9541 13.9650 13.9911 14.0020 14.6506 14.6556 k = 0.0000 0.5000 0.1006 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8257 -22.8252 -22.1901 -22.1897 -22.1467 -22.1462 -14.2726 -14.2725 -6.7009 -6.6998 -5.7970 -5.7953 -5.5970 -5.5956 -0.7427 -0.7283 1.1479 1.1725 1.2891 1.2962 6.3629 6.3662 7.5555 7.5712 7.6298 7.6370 7.8300 7.8519 8.2618 8.3179 8.5910 8.6199 9.1072 9.1198 9.2702 9.2984 9.5988 9.6313 12.6356 12.6464 13.9545 13.9664 13.9913 14.0032 14.6902 14.6953 k = 0.0000 0.5000 0.1132 ( 2752 PWs) bands (ev): -46.1183 -46.1183 -22.8260 -22.8255 -22.1902 -22.1898 -22.1475 -22.1469 -14.2707 -14.2706 -6.6888 -6.6876 -5.7946 -5.7927 -5.6028 -5.6013 -0.7462 -0.7304 1.1445 1.1714 1.2802 1.2878 6.3586 6.3622 7.5324 7.5509 7.6302 7.6362 7.7632 7.7880 8.2543 8.3105 8.6009 8.6330 9.1799 9.1907 9.2293 9.2585 9.5811 9.6133 12.6714 12.6829 13.9556 13.9686 13.9916 14.0047 14.7311 14.7365 k = 0.0000 0.5000 0.1257 ( 2748 PWs) bands (ev): -46.1183 -46.1183 -22.8264 -22.8258 -22.1903 -22.1898 -22.1484 -22.1476 -14.2686 -14.2686 -6.6756 -6.6742 -5.7919 -5.7899 -5.6092 -5.6075 -0.7500 -0.7328 1.1406 1.1695 1.2711 1.2789 6.3541 6.3578 7.5001 7.5212 7.6305 7.6353 7.7033 7.7309 8.2436 8.2988 8.6160 8.6495 9.1891 9.2115 9.2547 9.2658 9.5601 9.5920 12.7109 12.7230 13.9574 13.9717 13.9920 14.0065 14.7727 14.7781 k = 0.0000 0.5000 0.1383 ( 2748 PWs) bands (ev): -46.1182 -46.1182 -22.8268 -22.8262 -22.1904 -22.1899 -22.1493 -22.1485 -14.2663 -14.2663 -6.6611 -6.6596 -5.7891 -5.7869 -5.6161 -5.6143 -0.7539 -0.7355 1.1364 1.1665 1.2622 1.2699 6.3492 6.3531 7.4579 7.4798 7.6309 7.6343 7.6527 7.6809 8.2296 8.2828 8.6359 8.6694 9.1520 9.1765 9.3236 9.3327 9.5366 9.5681 12.7541 12.7666 13.9599 13.9760 13.9924 14.0088 14.8139 14.8195 k = 0.0000 0.5000 0.1509 ( 2752 PWs) bands (ev): -46.1182 -46.1182 -22.8272 -22.8266 -22.1906 -22.1900 -22.1502 -22.1494 -14.2639 -14.2639 -6.6456 -6.6439 -5.7861 -5.7837 -5.6235 -5.6216 -0.7580 -0.7385 1.1315 1.1622 1.2540 1.2608 6.3442 6.3481 7.4066 7.4272 7.6085 7.6304 7.6344 7.6382 8.2124 8.2630 8.6600 8.6926 9.1177 9.1423 9.3910 9.3991 9.5110 9.5423 12.8005 12.8134 13.9631 13.9814 13.9929 14.0117 14.8541 14.8598 k = 0.0000 0.5000 0.1634 ( 2754 PWs) bands (ev): -46.1182 -46.1182 -22.8277 -22.8270 -22.1908 -22.1902 -22.1513 -22.1504 -14.2613 -14.2613 -6.6290 -6.6271 -5.7830 -5.7805 -5.6313 -5.6293 -0.7623 -0.7418 1.1259 1.1563 1.2467 1.2521 6.3390 6.3430 7.3490 7.3672 7.5695 7.5946 7.6327 7.6349 8.1924 8.2400 8.6877 8.7188 9.0867 9.1113 9.4551 9.4632 9.4845 9.5165 12.8498 12.8629 13.9667 13.9881 13.9935 14.0154 14.8927 14.8985 k = 0.0000 0.5000 0.1760 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8281 -22.8274 -22.1910 -22.1903 -22.1523 -22.1514 -14.2587 -14.2586 -6.6114 -6.6094 -5.7799 -5.7771 -5.6395 -5.6373 -0.7666 -0.7454 1.1194 1.1486 1.2408 1.2440 6.3337 6.3376 7.2877 7.3032 7.5308 7.5534 7.6337 7.6353 8.1698 8.2144 8.7183 8.7477 9.0594 9.0840 9.4560 9.4817 9.5224 9.5293 12.9016 12.9149 13.9707 13.9940 13.9962 14.0202 14.9293 14.9351 k = 0.0000 0.5000 0.1886 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8286 -22.8279 -22.1912 -22.1905 -22.1533 -22.1524 -14.2559 -14.2558 -6.5930 -6.5909 -5.7767 -5.7737 -5.6480 -5.6458 -0.7711 -0.7492 1.1120 1.1392 1.2360 1.2370 6.3282 6.3321 7.2245 7.2377 7.4902 7.5106 7.6349 7.6360 8.1451 8.1866 8.7509 8.7789 9.0358 9.0607 9.4286 9.4559 9.5822 9.5880 12.9555 12.9690 13.9746 13.9947 14.0056 14.0264 14.9635 14.9694 k = 0.0000 0.5000 0.2012 ( 2752 PWs) bands (ev): -46.1181 -46.1181 -22.8291 -22.8283 -22.1914 -22.1907 -22.1544 -22.1534 -14.2530 -14.2529 -6.5738 -6.5715 -5.7735 -5.7704 -5.6568 -5.6545 -0.7757 -0.7533 1.1035 1.1281 1.2302 1.2334 6.3225 6.3264 7.1609 7.1721 7.4468 7.4651 7.6363 7.6371 8.1186 8.1572 8.7849 8.8118 9.0155 9.0413 9.4021 9.4290 9.6403 9.6456 13.0112 13.0247 13.9784 13.9953 14.0165 14.0342 14.9951 15.0011 k = 0.0000 0.5000 0.2137 ( 2748 PWs) bands (ev): -46.1180 -46.1180 -22.8296 -22.8288 -22.1917 -22.1909 -22.1554 -22.1544 -14.2500 -14.2500 -6.5539 -6.5515 -5.7703 -5.7671 -5.6658 -5.6635 -0.7803 -0.7575 1.0940 1.1158 1.2249 1.2315 6.3168 6.3205 7.0977 7.1073 7.4001 7.4167 7.6379 7.6385 8.0907 8.1265 8.8193 8.8461 8.9982 9.0256 9.3773 9.4034 9.6959 9.7008 13.0683 13.0817 13.9818 13.9960 14.0287 14.0438 15.0239 15.0300 k = 0.0000 0.5000 0.2263 ( 2750 PWs) bands (ev): -46.1180 -46.1180 -22.8302 -22.8294 -22.1920 -22.1912 -22.1565 -22.1555 -14.2469 -14.2469 -6.5334 -6.5308 -5.7672 -5.7639 -5.6750 -5.6726 -0.7849 -0.7619 1.0835 1.1025 1.2208 1.2305 6.3108 6.3143 7.0355 7.0436 7.3504 7.3656 7.6397 7.6401 8.0617 8.0949 8.8527 8.8813 8.9831 9.0138 9.3550 9.3802 9.7489 9.7534 13.1263 13.1397 13.9847 13.9967 14.0423 14.0552 15.0501 15.0562 k = 0.0000 0.5000 0.2389 ( 2748 PWs) bands (ev): -46.1179 -46.1179 -22.8307 -22.8299 -22.1923 -22.1915 -22.1575 -22.1565 -14.2438 -14.2438 -6.5124 -6.5097 -5.7643 -5.7608 -5.6842 -5.6819 -0.7896 -0.7665 1.0722 1.0885 1.2178 1.2303 6.3046 6.3080 6.9747 6.9816 7.2982 7.3119 7.6415 7.6419 8.0320 8.0628 8.8827 8.9167 8.9700 9.0069 9.3362 9.3604 9.7991 9.8034 13.1849 13.1982 13.9873 13.9974 14.0573 14.0683 15.0735 15.0797 k = 0.0000 0.5000 0.2515 ( 2746 PWs) bands (ev): -46.1179 -46.1179 -22.8312 -22.8304 -22.1926 -22.1918 -22.1585 -22.1575 -14.2407 -14.2407 -6.4910 -6.4882 -5.7615 -5.7579 -5.6935 -5.6912 -0.7942 -0.7711 1.0603 1.0742 1.2158 1.2306 6.2981 6.3014 6.9156 6.9214 7.2439 7.2564 7.6434 7.6440 8.0019 8.0304 8.9044 8.9445 8.9653 9.0082 9.3216 9.3447 9.8465 9.8507 13.2437 13.2569 13.9895 13.9982 14.0736 14.0831 15.0944 15.1006 k = 0.0000 0.5000 0.2640 ( 2744 PWs) bands (ev): -46.1179 -46.1179 -22.8317 -22.8309 -22.1930 -22.1921 -22.1595 -22.1585 -14.2376 -14.2376 -6.4694 -6.4664 -5.7590 -5.7553 -5.7027 -5.7005 -0.7987 -0.7759 1.0480 1.0598 1.2147 1.2314 6.2914 6.2944 6.8586 6.8634 7.1883 7.1996 7.6454 7.6461 7.9717 7.9980 8.9127 8.9378 8.9945 9.0221 9.3117 9.3338 9.8912 9.8952 13.3025 13.3154 13.9914 13.9989 14.0910 14.0994 15.1127 15.1190 k = 0.0000 0.5000 0.2766 ( 2744 PWs) bands (ev): -46.1178 -46.1178 -22.8323 -22.8315 -22.1933 -22.1925 -22.1604 -22.1594 -14.2345 -14.2345 -6.4476 -6.4444 -5.7568 -5.7530 -5.7117 -5.7096 -0.8031 -0.7806 1.0354 1.0454 1.2144 1.2326 6.2842 6.2870 6.8037 6.8076 7.1321 7.1423 7.6475 7.6483 7.9416 7.9658 8.9084 8.9232 9.0298 9.0471 9.3065 9.3283 9.9330 9.9369 13.3607 13.3735 13.9931 13.9996 14.1094 14.1169 15.1288 15.1351 k = 0.0000 0.5000 0.2892 ( 2740 PWs) bands (ev): -46.1178 -46.1178 -22.8328 -22.8320 -22.1937 -22.1929 -22.1612 -22.1603 -14.2314 -14.2314 -6.4257 -6.4225 -5.7551 -5.7511 -5.7204 -5.7185 -0.8074 -0.7854 1.0228 1.0311 1.2147 1.2340 6.2764 6.2790 6.7513 6.7544 7.0761 7.0852 7.6497 7.6506 7.9118 7.9340 8.8968 8.9063 9.0640 9.0781 9.3061 9.3281 9.9721 9.9759 13.4181 13.4307 13.9947 14.0004 14.1288 14.1355 15.1426 15.1490 k = 0.0000 0.5000 0.3017 ( 2736 PWs) bands (ev): -46.1177 -46.1177 -22.8333 -22.8325 -22.1942 -22.1933 -22.1620 -22.1611 -14.2284 -14.2284 -6.4040 -6.4006 -5.7543 -5.7498 -5.7287 -5.7266 -0.8116 -0.7902 1.0102 1.0172 1.2156 1.2355 6.2681 6.2705 6.7014 6.7038 7.0208 7.0288 7.6519 7.6529 7.8826 7.9030 8.8812 8.8878 9.0966 9.1115 9.3099 9.3330 10.0084 10.0121 13.4745 13.4867 13.9961 14.0011 14.1489 14.1549 15.1545 15.1609 k = 0.0000 0.5000 0.3143 ( 2736 PWs) bands (ev): -46.1177 -46.1177 -22.8338 -22.8330 -22.1946 -22.1937 -22.1628 -22.1619 -14.2255 -14.2255 -6.3824 -6.3790 -5.7551 -5.7492 -5.7365 -5.7329 -0.8156 -0.7949 0.9979 1.0037 1.2170 1.2372 6.2590 6.2611 6.6543 6.6562 6.9669 6.9740 7.6540 7.6552 7.8543 7.8729 8.8633 8.8680 9.1277 9.1451 9.3175 9.3424 10.0420 10.0456 13.5293 13.5412 13.9973 14.0018 14.1696 14.1750 15.1646 15.1709 k = 0.0000 0.5000 0.3269 ( 2734 PWs) bands (ev): -46.1177 -46.1177 -22.8343 -22.8335 -22.1950 -22.1942 -22.1635 -22.1626 -14.2226 -14.2226 -6.3613 -6.3578 -5.7583 -5.7509 -5.7423 -5.7367 -0.8193 -0.7996 0.9859 0.9907 1.2188 1.2390 6.2490 6.2509 6.6101 6.6118 6.9152 6.9213 7.6560 7.6574 7.8271 7.8439 8.8440 8.8474 9.1572 9.1775 9.3283 9.3553 10.0730 10.0764 13.5824 13.5940 13.9985 14.0026 14.1906 14.1955 15.1730 15.1792 k = 0.0000 0.5000 0.3395 ( 2744 PWs) bands (ev): -46.1176 -46.1176 -22.8348 -22.8341 -22.1955 -22.1947 -22.1642 -22.1634 -14.2199 -14.2199 -6.3406 -6.3370 -5.7638 -5.7566 -5.7441 -5.7383 -0.8229 -0.8041 0.9744 0.9784 1.2208 1.2407 6.2379 6.2398 6.5690 6.5708 6.8660 6.8711 7.6577 7.6595 7.8012 7.8162 8.8241 8.8265 9.1853 9.2081 9.3420 9.3708 10.1013 10.1047 13.6335 13.6447 13.9996 14.0033 14.2117 14.2161 15.1800 15.1861 k = 0.0000 0.5000 0.3520 ( 2738 PWs) bands (ev): -46.1176 -46.1176 -22.8352 -22.8345 -22.1960 -22.1952 -22.1647 -22.1640 -14.2173 -14.2173 -6.3205 -6.3169 -5.7702 -5.7637 -5.7442 -5.7389 -0.8262 -0.8085 0.9635 0.9667 1.2232 1.2425 6.2258 6.2275 6.5310 6.5333 6.8200 6.8242 7.6592 7.6613 7.7769 7.7901 8.8041 8.8058 9.2117 9.2364 9.3579 9.3881 10.1271 10.1304 13.6822 13.6929 14.0006 14.0039 14.2326 14.2367 15.1856 15.1916 k = 0.0000 0.5000 0.3646 ( 2738 PWs) bands (ev): -46.1176 -46.1176 -22.8356 -22.8350 -22.1964 -22.1957 -22.1653 -22.1645 -14.2148 -14.2148 -6.3012 -6.2976 -5.7769 -5.7709 -5.7441 -5.7392 -0.8293 -0.8127 0.9531 0.9558 1.2256 1.2442 6.2125 6.2142 6.4966 6.4994 6.7774 6.7808 7.6601 7.6628 7.7546 7.7659 8.7844 8.7856 9.2364 9.2621 9.3756 9.4062 10.1505 10.1536 13.7284 13.7386 14.0016 14.0046 14.2532 14.2568 15.1901 15.1958 k = 0.0000 0.5000 0.3772 ( 2744 PWs) bands (ev): -46.1175 -46.1175 -22.8360 -22.8354 -22.1969 -22.1962 -22.1658 -22.1651 -14.2125 -14.2125 -6.2828 -6.2793 -5.7833 -5.7778 -5.7442 -5.7396 -0.8321 -0.8167 0.9435 0.9457 1.2282 1.2457 6.1982 6.2000 6.4657 6.4689 6.7386 6.7412 7.6600 7.6636 7.7347 7.7440 8.7655 8.7664 9.2594 9.2851 9.3943 9.4245 10.1715 10.1744 13.7716 13.7812 14.0025 14.0052 14.2731 14.2764 15.1936 15.1991 k = 0.0000 0.5000 0.3898 ( 2740 PWs) bands (ev): -46.1175 -46.1175 -22.8364 -22.8358 -22.1973 -22.1967 -22.1661 -22.1655 -14.2103 -14.2103 -6.2655 -6.2621 -5.7894 -5.7843 -5.7443 -5.7401 -0.8345 -0.8205 0.9347 0.9364 1.2308 1.2472 6.1832 6.1850 6.4383 6.4419 6.7038 6.7057 7.6584 7.6631 7.7179 7.7250 8.7476 8.7484 9.2807 9.3054 9.4135 9.4424 10.1902 10.1929 13.8116 13.8207 14.0033 14.0058 14.2920 14.2950 15.1963 15.2014 k = 0.0000 0.5000 0.4023 ( 2734 PWs) bands (ev): -46.1175 -46.1175 -22.8367 -22.8362 -22.1977 -22.1971 -22.1665 -22.1659 -14.2084 -14.2083 -6.2494 -6.2461 -5.7950 -5.7902 -5.7447 -5.7407 -0.8367 -0.8241 0.9266 0.9281 1.2335 1.2484 6.1678 6.1696 6.4144 6.4182 6.6731 6.6745 7.6544 7.6605 7.7052 7.7100 8.7310 8.7317 9.3001 9.3232 9.4326 9.4594 10.2067 10.2092 13.8483 13.8567 14.0040 14.0064 14.3098 14.3125 15.1982 15.2030 k = 0.0000 0.5000 0.4149 ( 2718 PWs) bands (ev): -46.1174 -46.1174 -22.8369 -22.8364 -22.1979 -22.1974 -22.1667 -22.1662 -14.2066 -14.2066 -6.2347 -6.2316 -5.8000 -5.7956 -5.7451 -5.7415 -0.8385 -0.8273 0.9194 0.9206 1.2361 1.2494 6.1526 6.1543 6.3938 6.3976 6.6466 6.6475 7.6477 7.6548 7.6970 7.7001 8.7160 8.7166 9.3177 9.3386 9.4508 9.4750 10.2211 10.2233 13.8812 13.8889 14.0048 14.0071 14.3262 14.3285 15.1996 15.2040 k = 0.0000 0.5000 0.4275 ( 2724 PWs) bands (ev): -46.1174 -46.1174 -22.8371 -22.8368 -22.1983 -22.1978 -22.1670 -22.1666 -14.2050 -14.2050 -6.2215 -6.2187 -5.8044 -5.8004 -5.7457 -5.7425 -0.8400 -0.8303 0.9132 0.9141 1.2385 1.2502 6.1380 6.1396 6.3763 6.3799 6.6241 6.6246 7.6391 7.6461 7.6927 7.6949 8.7026 8.7033 9.3333 9.3516 9.4676 9.4888 10.2334 10.2354 13.9102 13.9172 14.0054 14.0077 14.3410 14.3429 15.2006 15.2045 k = 0.0000 0.5000 0.4400 ( 2726 PWs) bands (ev): -46.1174 -46.1174 -22.8374 -22.8370 -22.1985 -22.1981 -22.1672 -22.1669 -14.2037 -14.2037 -6.2099 -6.2075 -5.8081 -5.8046 -5.7462 -5.7435 -0.8412 -0.8330 0.9078 0.9085 1.2409 1.2508 6.1247 6.1261 6.3617 6.3649 6.6056 6.6058 7.6302 7.6364 7.6908 7.6925 8.6911 8.6917 9.3469 9.3624 9.4828 9.5007 10.2437 10.2454 13.9351 13.9413 14.0061 14.0085 14.3538 14.3555 15.2012 15.2046 k = 0.0000 0.5000 0.4526 ( 2728 PWs) bands (ev): -46.1174 -46.1174 -22.8375 -22.8373 -22.1988 -22.1985 -22.1673 -22.1671 -14.2026 -14.2026 -6.2002 -6.1982 -5.8111 -5.8082 -5.7468 -5.7444 -0.8420 -0.8354 0.9034 0.9040 1.2430 1.2511 6.1131 6.1142 6.3500 6.3527 6.5908 6.5909 7.6221 7.6272 7.6902 7.6915 8.6816 8.6821 9.3584 9.3709 9.4958 9.5103 10.2521 10.2535 13.9555 13.9610 14.0069 14.0093 14.3647 14.3660 15.2017 15.2044 k = 0.0000 0.5000 0.4652 ( 2732 PWs) bands (ev): -46.1174 -46.1174 -22.8377 -22.8375 -22.1990 -22.1987 -22.1675 -22.1673 -14.2017 -14.2017 -6.1924 -6.1908 -5.8134 -5.8111 -5.7472 -5.7454 -0.8424 -0.8374 0.9000 0.9004 1.2450 1.2511 6.1036 6.1045 6.3409 6.3430 6.5795 6.5795 7.6156 7.6194 7.6902 7.6911 8.6742 8.6746 9.3678 9.3772 9.5066 9.5176 10.2586 10.2597 13.9713 13.9759 14.0080 14.0104 14.3733 14.3743 15.2020 15.2041 k = 0.0000 0.5000 0.4778 ( 2728 PWs) bands (ev): -46.1174 -46.1174 -22.8377 -22.8376 -22.1990 -22.1989 -22.1675 -22.1674 -14.2011 -14.2011 -6.1867 -6.1856 -5.8148 -5.8133 -5.7474 -5.7462 -0.8425 -0.8392 0.8975 0.8978 1.2467 1.2508 6.0967 6.0973 6.3346 6.3360 6.5716 6.5716 7.6109 7.6135 7.6903 7.6909 8.6688 8.6691 9.3750 9.3813 9.5150 9.5223 10.2633 10.2640 13.9823 13.9857 14.0096 14.0116 14.3796 14.3803 15.2023 15.2037 k = 0.0000 0.5000 0.4903 ( 2730 PWs) bands (ev): -46.1174 -46.1174 -22.8378 -22.8377 -22.1991 -22.1990 -22.1676 -22.1675 -14.2007 -14.2007 -6.1831 -6.1826 -5.8156 -5.8148 -5.7474 -5.7468 -0.8422 -0.8405 0.8961 0.8962 1.2481 1.2502 6.0925 6.0928 6.3309 6.3317 6.5669 6.5670 7.6083 7.6096 7.6905 7.6908 8.6656 8.6657 9.3799 9.3831 9.5208 9.5245 10.2662 10.2665 13.9888 13.9906 14.0114 14.0126 14.3835 14.3839 15.2026 15.2033 k = 0.0000 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1174 -46.1174 -22.8378 -22.8378 -22.1991 -22.1991 -22.1676 -22.1676 -14.2006 -14.2006 -6.1817 -6.1817 -5.8155 -5.8155 -5.7472 -5.7472 -0.8415 -0.8415 0.8956 0.8956 1.2493 1.2493 6.0912 6.0912 6.3299 6.3299 6.5654 6.5654 7.6078 7.6078 7.6907 7.6907 8.6646 8.6646 9.3827 9.3827 9.5240 9.5240 10.2672 10.2672 13.9915 13.9915 14.0127 14.0127 14.3850 14.3850 15.2029 15.2029 k = 0.0000 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1174 -46.1174 -22.8378 -22.8378 -22.1991 -22.1991 -22.1676 -22.1676 -14.2006 -14.2006 -6.1817 -6.1817 -5.8155 -5.8155 -5.7472 -5.7472 -0.8415 -0.8415 0.8956 0.8956 1.2493 1.2493 6.0912 6.0912 6.3299 6.3299 6.5654 6.5654 7.6078 7.6078 7.6907 7.6907 8.6646 8.6646 9.3827 9.3827 9.5240 9.5240 10.2672 10.2672 13.9915 13.9915 14.0127 14.0127 14.3850 14.3850 15.2029 15.2029 k = 0.0125 0.5000 0.5029 ( 2730 PWs) bands (ev): -46.1174 -46.1174 -22.8378 -22.8378 -22.1991 -22.1991 -22.1676 -22.1676 -14.2005 -14.2005 -6.1810 -6.1809 -5.8153 -5.8153 -5.7471 -5.7469 -0.8437 -0.8415 0.8944 0.8945 1.2457 1.2488 6.0912 6.0912 6.3325 6.3332 6.5654 6.5654 7.6087 7.6088 7.6912 7.6918 8.6599 8.6601 9.3836 9.3838 9.5245 9.5247 10.2673 10.2673 13.9919 13.9926 14.0131 14.0135 14.3853 14.3853 15.2077 15.2085 k = 0.0249 0.5000 0.5029 ( 2728 PWs) bands (ev): -46.1174 -46.1174 -22.8379 -22.8378 -22.1991 -22.1991 -22.1678 -22.1677 -14.2002 -14.2002 -6.1787 -6.1785 -5.8145 -5.8145 -5.7464 -5.7461 -0.8479 -0.8435 0.8907 0.8910 1.2380 1.2441 6.0912 6.0913 6.3410 6.3423 6.5655 6.5655 7.6112 7.6114 7.6934 7.6946 8.6462 8.6466 9.3866 9.3871 9.5262 9.5267 10.2677 10.2677 13.9939 13.9953 14.0149 14.0156 14.3864 14.3864 15.2228 15.2243 k = 0.0374 0.5000 0.5029 ( 2728 PWs) bands (ev): -46.1173 -46.1173 -22.8380 -22.8379 -22.1991 -22.1990 -22.1680 -22.1680 -14.1997 -14.1997 -6.1749 -6.1747 -5.8132 -5.8132 -5.7453 -5.7448 -0.8542 -0.8476 0.8847 0.8850 1.2263 1.2354 6.0913 6.0914 6.3551 6.3570 6.5655 6.5656 7.6153 7.6156 7.6972 7.6990 8.6237 8.6243 9.3917 9.3924 9.5292 9.5298 10.2682 10.2682 13.9974 13.9995 14.0181 14.0190 14.3881 14.3882 15.2480 15.2502 k = 0.0499 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1173 -46.1173 -22.8382 -22.8380 -22.1991 -22.1990 -22.1685 -22.1683 -14.1991 -14.1991 -6.1696 -6.1692 -5.8115 -5.8114 -5.7437 -5.7430 -0.8625 -0.8538 0.8763 0.8768 1.2107 1.2227 6.0914 6.0915 6.3749 6.3773 6.5657 6.5657 7.6208 7.6213 7.7027 7.7050 8.5928 8.5936 9.3989 9.3999 9.5335 9.5343 10.2689 10.2689 14.0024 14.0053 14.0227 14.0238 14.3906 14.3906 15.2828 15.2856 k = 0.0624 0.5000 0.5029 ( 2740 PWs) bands (ev): -46.1173 -46.1173 -22.8384 -22.8382 -22.1991 -22.1990 -22.1690 -22.1688 -14.1982 -14.1982 -6.1628 -6.1623 -5.8092 -5.8091 -5.7417 -5.7408 -0.8728 -0.8620 0.8657 0.8663 1.1915 1.2062 6.0916 6.0917 6.4000 6.4028 6.5658 6.5659 7.6276 7.6282 7.7099 7.7127 8.5539 8.5549 9.4081 9.4093 9.5390 9.5400 10.2698 10.2699 14.0089 14.0125 14.0287 14.0300 14.3937 14.3938 15.3268 15.3301 k = 0.0748 0.5000 0.5029 ( 2740 PWs) bands (ev): -46.1173 -46.1173 -22.8386 -22.8383 -22.1991 -22.1990 -22.1695 -22.1693 -14.1971 -14.1971 -6.1545 -6.1540 -5.8064 -5.8063 -5.7391 -5.7381 -0.8849 -0.8721 0.8529 0.8537 1.1688 1.1862 6.0918 6.0919 6.4303 6.4333 6.5660 6.5661 7.6352 7.6362 7.7188 7.7220 8.5077 8.5088 9.4194 9.4208 9.5459 9.5470 10.2710 10.2710 14.0169 14.0212 14.0364 14.0376 14.3975 14.3976 15.3792 15.3830 k = 0.0873 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1173 -46.1173 -22.8389 -22.8386 -22.1991 -22.1989 -22.1702 -22.1700 -14.1959 -14.1959 -6.1448 -6.1442 -5.8032 -5.8031 -5.7362 -5.7350 -0.8989 -0.8841 0.8381 0.8390 1.1428 1.1627 6.0919 6.0921 6.4653 6.4685 6.5662 6.5665 7.6435 7.6450 7.7293 7.7330 8.4548 8.4560 9.4327 9.4343 9.5542 9.5553 10.2723 10.2723 14.0264 14.0313 14.0455 14.0467 14.4019 14.4020 15.4394 15.4435 k = 0.0998 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1173 -46.1173 -22.8391 -22.8388 -22.1991 -22.1989 -22.1709 -22.1707 -14.1945 -14.1945 -6.1338 -6.1331 -5.7995 -5.7994 -5.7328 -5.7314 -0.9145 -0.8979 0.8213 0.8223 1.1139 1.1362 6.0921 6.0923 6.5049 6.5078 6.5665 6.5670 7.6522 7.6542 7.7415 7.7455 8.3960 8.3972 9.4480 9.4498 9.5639 9.5651 10.2738 10.2738 14.0373 14.0428 14.0562 14.0574 14.4070 14.4071 15.5065 15.5109 k = 0.1122 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1173 -46.1173 -22.8395 -22.8391 -22.1991 -22.1989 -22.1717 -22.1715 -14.1930 -14.1930 -6.1215 -6.1207 -5.7954 -5.7952 -5.7290 -5.7274 -0.9317 -0.9134 0.8027 0.8039 1.0824 1.1069 6.0922 6.0925 6.5486 6.5494 6.5668 6.5693 7.6608 7.6635 7.7552 7.7595 8.3322 8.3333 9.4653 9.4672 9.5751 9.5763 10.2755 10.2755 14.0497 14.0556 14.0685 14.0696 14.4127 14.4127 15.5797 15.5843 k = 0.1247 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1172 -46.1172 -22.8398 -22.8394 -22.1991 -22.1989 -22.1726 -22.1723 -14.1913 -14.1913 -6.1079 -6.1070 -5.7909 -5.7906 -5.7247 -5.7230 -0.9505 -0.9305 0.7824 0.7837 1.0486 1.0750 6.0923 6.0926 6.5654 6.5671 6.5959 6.6007 7.6693 7.6727 7.7701 7.7746 8.2642 8.2653 9.4845 9.4866 9.5879 9.5891 10.2774 10.2774 14.0634 14.0697 14.0822 14.0832 14.4189 14.4189 15.6582 15.6629 k = 0.1372 0.5000 0.5029 ( 2736 PWs) bands (ev): -46.1172 -46.1172 -22.8402 -22.8397 -22.1991 -22.1988 -22.1735 -22.1732 -14.1894 -14.1894 -6.0931 -6.0921 -5.7860 -5.7857 -5.7202 -5.7183 -0.9705 -0.9491 0.7605 0.7620 1.0127 1.0410 6.0923 6.0926 6.5666 6.5674 6.6465 6.6501 7.6771 7.6814 7.7857 7.7906 8.1932 8.1943 9.5057 9.5079 9.6024 9.6036 10.2794 10.2794 14.0785 14.0851 14.0972 14.0983 14.4256 14.4256 15.7411 15.7458 k = 0.1497 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1172 -46.1172 -22.8406 -22.8401 -22.1991 -22.1988 -22.1745 -22.1742 -14.1874 -14.1874 -6.0773 -6.0762 -5.7808 -5.7804 -5.7152 -5.7132 -0.9918 -0.9690 0.7373 0.7390 0.9751 1.0051 6.0922 6.0925 6.5672 6.5678 6.6999 6.7027 7.6837 7.6889 7.8016 7.8069 8.1209 8.1217 9.5287 9.5310 9.6185 9.6198 10.2815 10.2816 14.0950 14.1016 14.1136 14.1147 14.4328 14.4329 15.8274 15.8321 k = 0.1621 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1171 -46.1171 -22.8410 -22.8405 -22.1991 -22.1988 -22.1755 -22.1752 -14.1854 -14.1853 -6.0604 -6.0593 -5.7752 -5.7747 -5.7100 -5.7078 -1.0141 -0.9901 0.7129 0.7147 0.9362 0.9675 6.0920 6.0923 6.5677 6.5682 6.7556 6.7575 7.6883 7.6941 7.8163 7.8224 8.0496 8.0500 9.5535 9.5559 9.6366 9.6379 10.2838 10.2838 14.1127 14.1193 14.1312 14.1323 14.4405 14.4405 15.9164 15.9210 k = 0.1746 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1171 -46.1171 -22.8414 -22.8409 -22.1991 -22.1987 -22.1766 -22.1763 -14.1832 -14.1831 -6.0427 -6.0414 -5.7694 -5.7688 -5.7044 -5.7020 -1.0374 -1.0123 0.6874 0.6894 0.8961 0.9287 6.0915 6.0918 6.5682 6.5686 6.8132 6.8141 7.6888 7.6950 7.8271 7.8350 7.9843 7.9847 9.5801 9.5824 9.6565 9.6578 10.2862 10.2863 14.1315 14.1381 14.1498 14.1511 14.4486 14.4486 16.0070 16.0116 k = 0.1871 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1171 -46.1171 -22.8419 -22.8414 -22.1991 -22.1988 -22.1777 -22.1774 -14.1809 -14.1809 -6.0241 -6.0227 -5.7632 -5.7626 -5.6985 -5.6961 -1.0614 -1.0354 0.6610 0.6632 0.8553 0.8890 6.0909 6.0912 6.5686 6.5691 6.8719 6.8722 7.6804 7.6864 7.8269 7.8378 7.9364 7.9383 9.6082 9.6104 9.6783 9.6798 10.2887 10.2888 14.1515 14.1579 14.1695 14.1708 14.4570 14.4571 16.0985 16.1030 k = 0.1995 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1170 -46.1170 -22.8424 -22.8418 -22.1992 -22.1988 -22.1788 -22.1785 -14.1785 -14.1785 -6.0048 -6.0033 -5.7569 -5.7561 -5.6925 -5.6898 -1.0861 -1.0593 0.6340 0.6364 0.8141 0.8485 6.0899 6.0902 6.5692 6.5695 6.9305 6.9320 7.6548 7.6595 7.8119 7.8255 7.9213 7.9233 9.6377 9.6397 9.7022 9.7037 10.2913 10.2914 14.1724 14.1787 14.1900 14.1915 14.4658 14.4659 16.1898 16.1943 k = 0.2120 0.5000 0.5029 ( 2728 PWs) bands (ev): -46.1170 -46.1170 -22.8428 -22.8423 -22.1992 -22.1988 -22.1799 -22.1797 -14.1760 -14.1760 -5.9849 -5.9833 -5.7504 -5.7494 -5.6862 -5.6834 -1.1112 -1.0838 0.6064 0.6090 0.7726 0.8076 6.0886 6.0889 6.5697 6.5700 6.9892 6.9923 7.6061 7.6096 7.7985 7.8139 7.9280 7.9291 9.6684 9.6703 9.7281 9.7298 10.2939 10.2941 14.1941 14.2003 14.2114 14.2129 14.4748 14.4749 16.2800 16.2844 k = 0.2245 0.5000 0.5029 ( 2732 PWs) bands (ev): -46.1170 -46.1170 -22.8434 -22.8428 -22.1993 -22.1988 -22.1810 -22.1808 -14.1736 -14.1736 -5.9645 -5.9629 -5.7437 -5.7426 -5.6797 -5.6768 -1.1367 -1.1088 0.5785 0.5813 0.7311 0.7666 6.0869 6.0872 6.5702 6.5705 7.0476 7.0524 7.5410 7.5437 7.7947 7.8116 7.9416 7.9420 9.7002 9.7018 9.7560 9.7578 10.2966 10.2968 14.2167 14.2225 14.2333 14.2350 14.4840 14.4842 16.3681 16.3726 k = 0.2370 0.5000 0.5029 ( 2730 PWs) bands (ev): -46.1169 -46.1169 -22.8438 -22.8433 -22.1994 -22.1989 -22.1821 -22.1820 -14.1710 -14.1710 -5.9438 -5.9420 -5.7369 -5.7357 -5.6731 -5.6701 -1.1622 -1.1342 0.5504 0.5535 0.6900 0.7257 6.0847 6.0850 6.5707 6.5711 7.1051 7.1117 7.4681 7.4705 7.7970 7.8155 7.9571 7.9571 9.7329 9.7342 9.7858 9.7878 10.2994 10.2996 14.2398 14.2454 14.2559 14.2575 14.4935 14.4936 16.4532 16.4578 k = 0.2494 0.5000 0.5029 ( 2728 PWs) bands (ev): -46.1169 -46.1169 -22.8443 -22.8438 -22.1996 -22.1990 -22.1832 -22.1831 -14.1685 -14.1685 -5.9228 -5.9209 -5.7301 -5.7287 -5.6664 -5.6633 -1.1878 -1.1596 0.5224 0.5256 0.6493 0.6852 6.0819 6.0823 6.5713 6.5716 7.1609 7.1695 7.3928 7.3950 7.8027 7.8230 7.9726 7.9728 9.7662 9.7672 9.8174 9.8196 10.3021 10.3025 14.2634 14.2688 14.2788 14.2805 14.5030 14.5032 16.5341 16.5390 k = 0.2619 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1168 -46.1168 -22.8449 -22.8443 -22.1998 -22.1992 -22.1843 -22.1842 -14.1660 -14.1659 -5.9017 -5.8996 -5.7232 -5.7216 -5.6596 -5.6565 -1.2132 -1.1851 0.4945 0.4980 0.6095 0.6452 6.0785 6.0789 6.5718 6.5721 7.2132 7.2233 7.3196 7.3212 7.8106 7.8326 7.9878 7.9881 9.8000 9.8007 9.8506 9.8530 10.3049 10.3053 14.2873 14.2925 14.3020 14.3038 14.5126 14.5128 16.6099 16.6151 k = 0.2744 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1168 -46.1168 -22.8454 -22.8448 -22.2000 -22.1993 -22.1852 -22.1852 -14.1634 -14.1634 -5.8806 -5.8784 -5.7163 -5.7146 -5.6528 -5.6496 -1.2383 -1.2105 0.4669 0.4706 0.5706 0.6060 6.0744 6.0748 6.5724 6.5727 7.2294 7.2305 7.2822 7.2921 7.8201 7.8438 8.0024 8.0027 9.8342 9.8347 9.8851 9.8876 10.3077 10.3081 14.3115 14.3163 14.3254 14.3272 14.5222 14.5224 16.6795 16.6853 k = 0.2868 0.5000 0.5029 ( 2736 PWs) bands (ev): -46.1168 -46.1168 -22.8459 -22.8453 -22.2003 -22.1996 -22.1862 -22.1862 -14.1609 -14.1609 -5.8597 -5.8573 -5.7095 -5.7076 -5.6460 -5.6428 -1.2629 -1.2355 0.4398 0.4438 0.5328 0.5679 6.0695 6.0698 6.5729 6.5732 7.1638 7.1652 7.3232 7.3378 7.8311 7.8566 8.0161 8.0164 9.8687 9.8689 9.9206 9.9230 10.3104 10.3109 14.3357 14.3403 14.3488 14.3506 14.5317 14.5320 16.7420 16.7485 k = 0.2993 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1167 -46.1167 -22.8464 -22.8458 -22.2006 -22.1999 -22.1871 -22.1870 -14.1585 -14.1584 -5.8390 -5.8365 -5.7028 -5.7007 -5.6393 -5.6360 -1.2869 -1.2601 0.4134 0.4177 0.4964 0.5308 6.0636 6.0640 6.5735 6.5737 7.0949 7.0965 7.3684 7.3852 7.8437 7.8708 8.0289 8.0292 9.9032 9.9033 9.9566 9.9590 10.3131 10.3137 14.3598 14.3641 14.3720 14.3738 14.5412 14.5415 16.7966 16.8042 k = 0.3118 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1167 -46.1167 -22.8469 -22.8463 -22.2009 -22.2002 -22.1879 -22.1878 -14.1561 -14.1560 -5.8188 -5.8161 -5.6963 -5.6939 -5.6327 -5.6294 -1.3102 -1.2841 0.3878 0.3923 0.4614 0.4951 6.0568 6.0571 6.5740 6.5742 7.0290 7.0305 7.4107 7.4293 7.8582 7.8865 8.0406 8.0409 9.9376 9.9376 9.9928 9.9952 10.3157 10.3164 14.3836 14.3876 14.3950 14.3968 14.5506 14.5509 16.8428 16.8517 k = 0.3243 0.5000 0.5029 ( 2736 PWs) bands (ev): -46.1167 -46.1167 -22.8473 -22.8468 -22.2013 -22.2006 -22.1886 -22.1885 -14.1537 -14.1537 -5.7991 -5.7963 -5.6899 -5.6872 -5.6262 -5.6229 -1.3326 -1.3073 0.3630 0.3679 0.4281 0.4609 6.0490 6.0493 6.5745 6.5747 6.9668 6.9683 7.4492 7.4693 7.8745 7.9036 8.0514 8.0517 9.9717 9.9718 10.0288 10.0312 10.3182 10.3191 14.4070 14.4107 14.4176 14.4193 14.5599 14.5602 16.8807 16.8911 k = 0.3367 0.5000 0.5029 ( 2736 PWs) bands (ev): -46.1166 -46.1166 -22.8478 -22.8473 -22.2017 -22.2010 -22.1893 -22.1891 -14.1515 -14.1515 -5.7802 -5.7771 -5.6837 -5.6808 -5.6199 -5.6167 -1.3539 -1.3297 0.3394 0.3446 0.3966 0.4284 6.0401 6.0404 6.5750 6.5752 6.9089 6.9103 7.4837 7.5046 7.8928 7.9222 8.0611 8.0614 10.0052 10.0054 10.0643 10.0667 10.3207 10.3216 14.4298 14.4332 14.4395 14.4412 14.5690 14.5693 16.9104 16.9227 k = 0.3492 0.5000 0.5029 ( 2736 PWs) bands (ev): -46.1166 -46.1166 -22.8482 -22.8477 -22.2022 -22.2015 -22.1898 -22.1896 -14.1493 -14.1493 -5.7621 -5.7587 -5.6778 -5.6746 -5.6138 -5.6107 -1.3741 -1.3512 0.3170 0.3224 0.3670 0.3976 6.0302 6.0305 6.5755 6.5757 6.8557 6.8570 7.5139 7.5351 7.9129 7.9419 8.0698 8.0701 10.0379 10.0381 10.0989 10.1012 10.3230 10.3241 14.4517 14.4549 14.4608 14.4624 14.5778 14.5781 16.9329 16.9470 k = 0.3617 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1166 -46.1166 -22.8487 -22.8482 -22.2027 -22.2020 -22.1903 -22.1901 -14.1473 -14.1473 -5.7450 -5.7413 -5.6722 -5.6686 -5.6080 -5.6050 -1.3931 -1.3714 0.2959 0.3016 0.3394 0.3687 6.0194 6.0196 6.5759 6.5761 6.8073 6.8085 7.5400 7.5608 7.9345 7.9625 8.0776 8.0778 10.0695 10.0697 10.1322 10.1345 10.3252 10.3265 14.4727 14.4754 14.4811 14.4828 14.5865 14.5868 16.9489 16.9651 k = 0.3741 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1166 -46.1166 -22.8490 -22.8486 -22.2032 -22.2025 -22.1907 -22.1905 -14.1454 -14.1454 -5.7290 -5.7250 -5.6669 -5.6629 -5.6025 -5.5997 -1.4106 -1.3905 0.2762 0.2822 0.3140 0.3419 6.0078 6.0080 6.5764 6.5765 6.7640 6.7651 7.5623 7.5821 7.9571 7.9835 8.0844 8.0846 10.0997 10.0999 10.1640 10.1662 10.3273 10.3287 14.4924 14.4947 14.5005 14.5021 14.5950 14.5952 16.9597 16.9780 k = 0.3866 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1165 -46.1165 -22.8494 -22.8490 -22.2037 -22.2030 -22.1910 -22.1908 -14.1437 -14.1437 -5.7142 -5.7099 -5.6619 -5.6575 -5.5974 -5.5947 -1.4268 -1.4082 0.2580 0.2642 0.2908 0.3171 5.9956 5.9958 6.5768 6.5769 6.7257 6.7266 7.5810 7.5994 7.9801 8.0045 8.0904 8.0906 10.1282 10.1284 10.1938 10.1961 10.3292 10.3309 14.5105 14.5124 14.5188 14.5204 14.6032 14.6034 16.9662 16.9866 k = 0.3991 0.5000 0.5029 ( 2752 PWs) bands (ev): -46.1165 -46.1165 -22.8497 -22.8494 -22.2042 -22.2036 -22.1913 -22.1911 -14.1421 -14.1421 -5.7009 -5.6962 -5.6572 -5.6524 -5.5926 -5.5901 -1.4413 -1.4245 0.2415 0.2478 0.2701 0.2945 5.9832 5.9834 6.5771 6.5772 6.6923 6.6931 7.5966 7.6132 8.0028 8.0247 8.0956 8.0959 10.1547 10.1549 10.2214 10.2237 10.3310 10.3329 14.5268 14.5283 14.5359 14.5374 14.6112 14.6113 16.9695 16.9918 k = 0.4116 0.5000 0.5029 ( 2752 PWs) bands (ev): -46.1165 -46.1165 -22.8500 -22.8497 -22.2046 -22.2040 -22.1915 -22.1913 -14.1406 -14.1406 -5.6891 -5.6840 -5.6528 -5.6476 -5.5883 -5.5860 -1.4543 -1.4392 0.2267 0.2330 0.2518 0.2743 5.9709 5.9710 6.5775 6.5775 6.6637 6.6644 7.6094 7.6242 8.0244 8.0437 8.1001 8.1003 10.1789 10.1790 10.2464 10.2489 10.3326 10.3348 14.5411 14.5422 14.5515 14.5531 14.6189 14.6190 16.9706 16.9946 k = 0.4240 0.5000 0.5029 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8503 -22.8500 -22.2050 -22.2045 -22.1917 -22.1915 -14.1393 -14.1393 -5.6788 -5.6736 -5.6486 -5.6432 -5.5845 -5.5824 -1.4655 -1.4524 0.2137 0.2197 0.2362 0.2563 5.9591 5.9592 6.5777 6.5778 6.6396 6.6402 7.6200 7.6327 8.0444 8.0610 8.1039 8.1042 10.2005 10.2006 10.2686 10.2714 10.3340 10.3366 14.5533 14.5542 14.5657 14.5671 14.6262 14.6263 16.9702 16.9954 k = 0.4365 0.5000 0.5029 ( 2764 PWs) bands (ev): -46.1165 -46.1165 -22.8505 -22.8503 -22.2054 -22.2050 -22.1918 -22.1917 -14.1382 -14.1382 -5.6703 -5.6650 -5.6445 -5.6391 -5.5811 -5.5793 -1.4749 -1.4638 0.2026 0.2081 0.2234 0.2407 5.9482 5.9483 6.5780 6.5780 6.6199 6.6204 7.6285 7.6391 8.0624 8.0761 8.1071 8.1074 10.2192 10.2193 10.2877 10.2909 10.3352 10.3383 14.5634 14.5640 14.5781 14.5793 14.6330 14.6331 16.9691 16.9947 k = 0.4490 0.5000 0.5029 ( 2788 PWs) bands (ev): -46.1165 -46.1165 -22.8508 -22.8506 -22.2057 -22.2054 -22.1920 -22.1919 -14.1373 -14.1373 -5.6634 -5.6586 -5.6405 -5.6355 -5.5783 -5.5768 -1.4826 -1.4735 0.1935 0.1982 0.2133 0.2276 5.9386 5.9387 6.5781 6.5781 6.6041 6.6045 7.6353 7.6438 8.0777 8.0886 8.1098 8.1102 10.2349 10.2350 10.3034 10.3070 10.3364 10.3400 14.5715 14.5719 14.5885 14.5895 14.6390 14.6391 16.9679 16.9926 k = 0.4614 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8510 -22.8508 -22.2060 -22.2057 -22.1922 -22.1921 -14.1366 -14.1366 -5.6581 -5.6542 -5.6366 -5.6325 -5.5760 -5.5748 -1.4884 -1.4814 0.1864 0.1901 0.2059 0.2169 5.9307 5.9307 6.5782 6.5782 6.5922 6.5925 7.6406 7.6471 8.0902 8.0980 8.1120 8.1127 10.2474 10.2474 10.3154 10.3196 10.3377 10.3418 14.5776 14.5779 14.5969 14.5977 14.6441 14.6442 16.9673 16.9893 k = 0.4739 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8510 -22.8509 -22.2061 -22.2060 -22.1922 -22.1921 -14.1361 -14.1361 -5.6543 -5.6515 -5.6332 -5.6303 -5.5742 -5.5734 -1.4922 -1.4875 0.1814 0.1839 0.2011 0.2088 5.9247 5.9248 6.5779 6.5780 6.5841 6.5842 7.6446 7.6490 8.0993 8.1042 8.1139 8.1149 10.2565 10.2565 10.3237 10.3277 10.3396 10.3436 14.5820 14.5821 14.6031 14.6036 14.6479 14.6480 16.9678 16.9849 k = 0.4864 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8511 -22.8510 -22.2062 -22.2061 -22.1922 -22.1922 -14.1358 -14.1358 -5.6518 -5.6503 -5.6307 -5.6291 -5.5731 -5.5727 -1.4942 -1.4916 0.1785 0.1799 0.1989 0.2030 5.9210 5.9210 6.5766 6.5767 6.5803 6.5804 7.6474 7.6498 8.1050 8.1072 8.1156 8.1165 10.2621 10.2622 10.3287 10.3312 10.3424 10.3449 14.5846 14.5847 14.6069 14.6072 14.6504 14.6505 16.9699 16.9799 k = 0.4989 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6505 -5.6503 -5.6293 -5.6290 -5.5725 -5.5725 -1.4942 -1.4938 0.1778 0.1780 0.1992 0.1998 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6490 7.6494 8.1076 8.1079 8.1166 8.1168 10.2642 10.2642 10.3310 10.3314 10.3446 10.3450 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9736 16.9752 k = 0.4989 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6505 -5.6503 -5.6293 -5.6290 -5.5725 -5.5725 -1.4942 -1.4938 0.1778 0.1780 0.1992 0.1998 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6490 7.6494 8.1076 8.1079 8.1166 8.1168 10.2642 10.2642 10.3310 10.3314 10.3446 10.3450 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9736 16.9752 k = 0.4899 0.4911 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8511 -22.8510 -22.2062 -22.2061 -22.1922 -22.1922 -14.1358 -14.1358 -5.6520 -5.6499 -5.6312 -5.6290 -5.5732 -5.5726 -1.4946 -1.4910 0.1784 0.1803 0.1982 0.2039 5.9211 5.9211 6.5769 6.5772 6.5801 6.5802 7.6469 7.6501 8.1038 8.1067 8.1160 8.1175 10.2620 10.2620 10.3283 10.3319 10.3415 10.3451 14.5845 14.5846 14.6068 14.6072 14.6503 14.6504 16.9673 16.9807 k = 0.4810 0.4821 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8511 -22.8509 -22.2062 -22.2059 -22.1922 -22.1921 -14.1361 -14.1361 -5.6545 -5.6505 -5.6345 -5.6304 -5.5745 -5.5734 -1.4930 -1.4863 0.1812 0.1849 0.1997 0.2105 5.9249 5.9249 6.5807 6.5811 6.5817 6.5818 7.6435 7.6497 8.0963 8.1025 8.1154 8.1174 10.2563 10.2563 10.3237 10.3310 10.3358 10.3432 14.5817 14.5820 14.6026 14.6034 14.6476 14.6478 16.9620 16.9846 k = 0.4721 0.4732 0.5029 ( 2792 PWs) bands (ev): -46.1165 -46.1165 -22.8509 -22.8507 -22.2060 -22.2056 -22.1921 -22.1920 -14.1367 -14.1367 -5.6583 -5.6526 -5.6386 -5.6328 -5.5764 -5.5748 -1.4894 -1.4796 0.1861 0.1913 0.2042 0.2198 5.9310 5.9310 6.5832 6.5834 6.5879 6.5884 7.6389 7.6480 8.0855 8.0955 8.1143 8.1165 10.2470 10.2471 10.3167 10.3274 10.3290 10.3396 14.5773 14.5777 14.5961 14.5972 14.6434 14.6436 16.9589 16.9878 k = 0.4632 0.4643 0.5029 ( 2772 PWs) bands (ev): -46.1165 -46.1165 -22.8507 -22.8505 -22.2057 -22.2052 -22.1920 -22.1918 -14.1374 -14.1374 -5.6637 -5.6572 -5.6426 -5.6359 -5.5788 -5.5767 -1.4839 -1.4710 0.1928 0.1987 0.2122 0.2319 5.9393 5.9393 6.5860 6.5863 6.5971 6.5978 7.6329 7.6451 8.0717 8.0858 8.1127 8.1149 10.2344 10.2345 10.3072 10.3168 10.3254 10.3348 14.5713 14.5717 14.5873 14.5887 14.6376 14.6379 16.9586 16.9914 k = 0.4543 0.4554 0.5029 ( 2760 PWs) bands (ev): -46.1165 -46.1165 -22.8505 -22.8502 -22.2053 -22.2048 -22.1919 -22.1917 -14.1384 -14.1384 -5.6712 -5.6651 -5.6456 -5.6394 -5.5817 -5.5792 -1.4765 -1.4607 0.2013 0.2068 0.2243 0.2468 5.9498 5.9498 6.5897 6.5900 6.6089 6.6098 7.6254 7.6408 8.0552 8.0736 8.1106 8.1127 10.2184 10.2186 10.2951 10.3036 10.3207 10.3289 14.5634 14.5641 14.5762 14.5778 14.6303 14.6307 16.9613 16.9966 k = 0.4454 0.4464 0.5029 ( 2760 PWs) bands (ev): -46.1165 -46.1165 -22.8503 -22.8499 -22.2050 -22.2043 -22.1918 -22.1916 -14.1395 -14.1395 -5.6809 -5.6759 -5.6480 -5.6429 -5.5850 -5.5822 -1.4674 -1.4486 0.2113 0.2157 0.2400 0.2646 5.9621 5.9622 6.5944 6.5948 6.6232 6.6242 7.6163 7.6350 8.0363 8.0592 8.1081 8.1101 10.1993 10.1995 10.2806 10.2883 10.3148 10.3220 14.5534 14.5545 14.5633 14.5649 14.6215 14.6220 16.9669 17.0037 k = 0.4365 0.4375 0.5029 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8500 -22.8496 -22.2045 -22.2037 -22.1917 -22.1914 -14.1408 -14.1408 -5.6928 -5.6890 -5.6502 -5.6463 -5.5888 -5.5856 -1.4565 -1.4349 0.2229 0.2259 0.2589 0.2851 5.9762 5.9764 6.6001 6.6006 6.6400 6.6411 7.6054 7.6274 8.0155 8.0429 8.1052 8.1070 10.1770 10.1773 10.2638 10.2710 10.3078 10.3141 14.5402 14.5424 14.5497 14.5506 14.6113 14.6120 16.9752 17.0128 k = 0.4276 0.4286 0.5029 ( 2752 PWs) bands (ev): -46.1165 -46.1165 -22.8497 -22.8492 -22.2040 -22.2031 -22.1915 -22.1912 -14.1424 -14.1424 -5.7069 -5.7041 -5.6526 -5.6498 -5.5929 -5.5894 -1.4440 -1.4196 0.2360 0.2376 0.2806 0.3085 5.9919 5.9921 6.6071 6.6076 6.6592 6.6604 7.5924 7.6177 7.9933 8.0254 8.1020 8.1037 10.1520 10.1523 10.2450 10.2520 10.2995 10.3051 14.5231 14.5263 14.5362 14.5365 14.5999 14.6007 16.9858 17.0235 k = 0.4187 0.4196 0.5029 ( 2748 PWs) bands (ev): -46.1165 -46.1165 -22.8494 -22.8488 -22.2034 -22.2024 -22.1913 -22.1910 -14.1441 -14.1441 -5.7230 -5.7210 -5.6551 -5.6533 -5.5972 -5.5935 -1.4299 -1.4029 0.2505 0.2507 0.3050 0.3344 6.0089 6.0093 6.6155 6.6160 6.6807 6.6820 7.5771 7.6056 7.9704 8.0071 8.0985 8.1000 10.1242 10.1245 10.2246 10.2315 10.2900 10.2951 14.5027 14.5065 14.5224 14.5224 14.5872 14.5882 16.9980 17.0354 k = 0.4098 0.4107 0.5029 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8490 -22.8484 -22.2028 -22.2017 -22.1912 -22.1908 -14.1460 -14.1460 -5.7409 -5.7397 -5.6579 -5.6569 -5.6017 -5.5978 -1.4144 -1.3849 0.2652 0.2664 0.3318 0.3627 6.0270 6.0274 6.6254 6.6260 6.7045 6.7058 7.5592 7.5906 7.9476 7.9887 8.0950 8.0962 10.0939 10.0943 10.2028 10.2097 10.2793 10.2839 14.4795 14.4838 14.5075 14.5077 14.5733 14.5746 17.0111 17.0477 k = 0.4009 0.4018 0.5029 ( 2748 PWs) bands (ev): -46.1166 -46.1166 -22.8486 -22.8479 -22.2021 -22.2009 -22.1910 -22.1906 -14.1481 -14.1481 -5.7606 -5.7601 -5.6609 -5.6607 -5.6064 -5.6023 -1.3976 -1.3656 0.2812 0.2837 0.3610 0.3934 6.0458 6.0464 6.6371 6.6376 6.7305 6.7318 7.5387 7.5725 7.9258 7.9707 8.0913 8.0923 10.0614 10.0618 10.1799 10.1869 10.2673 10.2715 14.4538 14.4585 14.4916 14.4919 14.5584 14.5599 17.0239 17.0592 k = 0.3920 0.3929 0.5029 ( 2748 PWs) bands (ev): -46.1166 -46.1166 -22.8482 -22.8474 -22.2013 -22.2000 -22.1908 -22.1904 -14.1504 -14.1503 -5.7819 -5.7819 -5.6646 -5.6641 -5.6112 -5.6068 -1.3795 -1.3453 0.2986 0.3023 0.3924 0.4262 6.0650 6.0658 6.6508 6.6512 6.7586 6.7598 7.5153 7.5508 7.9056 7.9539 8.0877 8.0884 10.0269 10.0272 10.1560 10.1633 10.2540 10.2578 14.4257 14.4309 14.4747 14.4752 14.5425 14.5442 17.0352 17.0687 k = 0.3831 0.3839 0.5029 ( 2744 PWs) bands (ev): -46.1167 -46.1167 -22.8477 -22.8469 -22.2004 -22.1991 -22.1906 -22.1902 -14.1528 -14.1528 -5.8051 -5.8047 -5.6687 -5.6676 -5.6159 -5.6114 -1.3604 -1.3240 0.3173 0.3221 0.4256 0.4608 6.0843 6.0853 6.6665 6.6669 6.7887 6.7897 7.4891 7.5254 7.8877 7.9385 8.0842 8.0846 9.9907 9.9909 10.1314 10.1391 10.2394 10.2428 14.3954 14.4011 14.4568 14.4574 14.5257 14.5276 17.0435 17.0746 k = 0.3741 0.3750 0.5029 ( 2742 PWs) bands (ev): -46.1167 -46.1167 -22.8472 -22.8463 -22.1995 -22.1981 -22.1904 -22.1899 -14.1554 -14.1554 -5.8296 -5.8288 -5.6729 -5.6712 -5.6206 -5.6160 -1.3402 -1.3019 0.3372 0.3432 0.4606 0.4972 6.1034 6.1045 6.6847 6.6849 6.8205 6.8214 7.4602 7.4965 7.8725 7.9251 8.0810 8.0810 9.9529 9.9530 10.1063 10.1144 10.2234 10.2265 14.3628 14.3689 14.4380 14.4388 14.5081 14.5103 17.0470 17.0753 k = 0.3652 0.3661 0.5029 ( 2742 PWs) bands (ev): -46.1167 -46.1167 -22.8466 -22.8458 -22.1986 -22.1971 -22.1901 -22.1896 -14.1581 -14.1581 -5.8554 -5.8542 -5.6773 -5.6751 -5.6252 -5.6205 -1.3192 -1.2790 0.3584 0.3654 0.4972 0.5350 6.1220 6.1233 6.7054 6.7054 6.8540 6.8547 7.4290 7.4644 7.8602 7.9138 8.0777 8.0782 9.9139 9.9139 10.0807 10.0893 10.2060 10.2088 14.3280 14.3346 14.4184 14.4194 14.4898 14.4922 17.0441 17.0692 k = 0.3563 0.3571 0.5029 ( 2742 PWs) bands (ev): -46.1168 -46.1168 -22.8461 -22.8452 -22.1976 -22.1960 -22.1899 -22.1894 -14.1610 -14.1610 -5.8822 -5.8806 -5.6818 -5.6792 -5.6295 -5.6247 -1.2975 -1.2556 0.3808 0.3887 0.5350 0.5740 6.1398 6.1412 6.7284 6.7287 6.8889 6.8894 7.3959 7.4297 7.8508 7.9048 8.0749 8.0760 9.8738 9.8739 10.0549 10.0640 10.1871 10.1897 14.2910 14.2982 14.3982 14.3993 14.4709 14.4735 17.0331 17.0550 k = 0.3474 0.3482 0.5029 ( 2746 PWs) bands (ev): -46.1168 -46.1168 -22.8455 -22.8445 -22.1966 -22.1949 -22.1896 -22.1891 -14.1640 -14.1640 -5.9099 -5.9081 -5.6865 -5.6835 -5.6336 -5.6288 -1.2751 -1.2317 0.4042 0.4131 0.5738 0.6139 6.1565 6.1581 6.7541 6.7547 6.9251 6.9252 7.3614 7.3931 7.8441 7.8981 8.0728 8.0746 9.8329 9.8333 10.0289 10.0386 10.1668 10.1691 14.2520 14.2596 14.3774 14.3786 14.4515 14.4542 17.0131 17.0318 k = 0.3385 0.3393 0.5029 ( 2746 PWs) bands (ev): -46.1169 -46.1169 -22.8449 -22.8439 -22.1955 -22.1938 -22.1893 -22.1888 -14.1672 -14.1672 -5.9385 -5.9365 -5.6913 -5.6879 -5.6374 -5.6325 -1.2523 -1.2075 0.4287 0.4384 0.6134 0.6545 6.1721 6.1738 6.7823 6.7833 6.9620 6.9622 7.3263 7.3555 7.8399 7.8936 8.0717 8.0741 9.7917 9.7923 10.0028 10.0131 10.1450 10.1470 14.2109 14.2191 14.3561 14.3575 14.4316 14.4346 16.9835 16.9994 k = 0.3296 0.3304 0.5029 ( 2738 PWs) bands (ev): -46.1169 -46.1169 -22.8442 -22.8432 -22.1943 -22.1926 -22.1890 -22.1884 -14.1705 -14.1705 -5.9679 -5.9656 -5.6961 -5.6924 -5.6408 -5.6358 -1.2290 -1.1830 0.4541 0.4647 0.6536 0.6955 6.1865 6.1882 6.8131 6.8146 6.9993 6.9999 7.2912 7.3176 7.8380 7.8912 8.0717 8.0749 9.7504 9.7512 9.9767 9.9874 10.1216 10.1234 14.1679 14.1766 14.3345 14.3360 14.4114 14.4146 16.9447 16.9581 k = 0.3207 0.3214 0.5029 ( 2746 PWs) bands (ev): -46.1170 -46.1170 -22.8436 -22.8425 -22.1931 -22.1914 -22.1887 -22.1882 -14.1739 -14.1739 -5.9979 -5.9955 -5.7011 -5.6972 -5.6438 -5.6388 -1.2055 -1.1584 0.4803 0.4917 0.6939 0.7366 6.1995 6.2013 6.8463 6.8482 7.0367 7.0378 7.2570 7.2805 7.8380 7.8907 8.0732 8.0773 9.7092 9.7103 9.9504 9.9617 10.0967 10.0981 14.1230 14.1322 14.3126 14.3143 14.3910 14.3943 16.8973 16.9088 k = 0.3118 0.3125 0.5029 ( 2742 PWs) bands (ev): -46.1170 -46.1170 -22.8429 -22.8418 -22.1919 -22.1901 -22.1884 -22.1878 -14.1774 -14.1774 -6.0284 -6.0258 -5.7062 -5.7020 -5.6463 -5.6412 -1.1818 -1.1337 0.5073 0.5195 0.7342 0.7775 6.2113 6.2131 6.8815 6.8839 7.0733 7.0753 7.2250 7.2453 7.8397 7.8918 8.0766 8.0815 9.6685 9.6700 9.9241 9.9359 10.0702 10.0713 14.0762 14.0860 14.2907 14.2926 14.3705 14.3738 16.8423 16.8523 k = 0.3029 0.3036 0.5029 ( 2750 PWs) bands (ev): -46.1171 -46.1171 -22.8422 -22.8411 -22.1907 -22.1890 -22.1879 -22.1875 -14.1810 -14.1809 -6.0594 -6.0566 -5.7114 -5.7069 -5.6482 -5.6432 -1.1580 -1.1092 0.5350 0.5480 0.7741 0.8179 6.2219 6.2238 6.9185 6.9214 7.1068 7.1107 7.1978 7.2138 7.8427 7.8943 8.0823 8.0880 9.6287 9.6305 9.8978 9.9100 10.0422 10.0428 14.0277 14.0380 14.2689 14.2708 14.3499 14.3533 16.7808 16.7897 k = 0.2940 0.2946 0.5029 ( 2746 PWs) bands (ev): -46.1171 -46.1171 -22.8415 -22.8404 -22.1894 -22.1881 -22.1872 -22.1871 -14.1846 -14.1846 -6.0906 -6.0877 -5.7166 -5.7119 -5.6496 -5.6446 -1.1342 -1.0848 0.5633 0.5770 0.8134 0.8575 6.2315 6.2333 6.9569 6.9603 7.1267 7.1367 7.1864 7.1939 7.8469 7.8979 8.0908 8.0972 9.5901 9.5923 9.8713 9.8839 10.0126 10.0127 13.9775 13.9884 14.2471 14.2492 14.3293 14.3329 16.7136 16.7218 k = 0.2851 0.2857 0.5029 ( 2742 PWs) bands (ev): -46.1172 -46.1172 -22.8407 -22.8396 -22.1881 -22.1876 -22.1867 -22.1860 -14.1884 -14.1883 -6.1221 -6.1191 -5.7219 -5.7170 -5.6504 -5.6454 -1.1106 -1.0608 0.5921 0.6066 0.8519 0.8962 6.2401 6.2419 6.9962 6.9998 7.1186 7.1326 7.2055 7.2065 7.8519 7.9022 8.1026 8.1095 9.5529 9.5556 9.8447 9.8576 9.9809 9.9814 13.9258 13.9373 14.2257 14.2278 14.3089 14.3125 16.6419 16.6496 k = 0.2762 0.2768 0.5029 ( 2738 PWs) bands (ev): -46.1172 -46.1172 -22.8400 -22.8388 -22.1872 -22.1870 -22.1861 -22.1846 -14.1921 -14.1921 -6.1536 -6.1505 -5.7272 -5.7222 -5.6506 -5.6457 -1.0872 -1.0371 0.6213 0.6365 0.8892 0.9334 6.2479 6.2497 7.0354 7.0386 7.1020 7.1137 7.2371 7.2375 7.8574 7.9068 8.1180 8.1252 9.5176 9.5208 9.8179 9.8310 9.9475 9.9487 13.8726 13.8846 14.2046 14.2068 14.2887 14.2924 16.5663 16.5737 k = 0.2672 0.2679 0.5029 ( 2738 PWs) bands (ev): -46.1173 -46.1173 -22.8392 -22.8381 -22.1869 -22.1863 -22.1851 -22.1833 -14.1960 -14.1960 -6.1852 -6.1820 -5.7325 -5.7274 -5.6502 -5.6453 -1.0641 -1.0138 0.6508 0.6667 0.9251 0.9692 6.2551 6.2568 7.0657 7.0692 7.0981 7.1007 7.2707 7.2710 7.8631 7.9116 8.1375 8.1446 9.4844 9.4883 9.7909 9.8040 9.9125 9.9146 13.8181 13.8307 14.1840 14.1863 14.2688 14.2725 16.4875 16.4947 k = 0.2583 0.2589 0.5029 ( 2734 PWs) bands (ev): -46.1173 -46.1173 -22.8384 -22.8373 -22.1865 -22.1859 -22.1838 -22.1819 -14.1999 -14.1998 -6.2166 -6.2134 -5.7378 -5.7327 -5.6492 -5.6443 -1.0414 -0.9911 0.6806 0.6972 0.9594 1.0031 6.2617 6.2634 7.0610 7.0702 7.1236 7.1290 7.3041 7.3043 7.8690 7.9164 8.1610 8.1678 9.4539 9.4584 9.7636 9.7763 9.8759 9.8791 13.7624 13.7756 14.1640 14.1664 14.2493 14.2531 16.4061 16.4133 k = 0.2494 0.2500 0.5029 ( 2738 PWs) bands (ev): -46.1174 -46.1174 -22.8377 -22.8366 -22.1861 -22.1855 -22.1825 -22.1805 -14.2038 -14.2037 -6.2479 -6.2447 -5.7431 -5.7379 -5.6475 -5.6426 -1.0192 -0.9690 0.7104 0.7278 0.9919 1.0351 6.2678 6.2696 7.0523 7.0602 7.1611 7.1672 7.3367 7.3368 7.8750 7.9211 8.1885 8.1948 9.4262 9.4316 9.7359 9.7480 9.8377 9.8424 13.7057 13.7194 14.1447 14.1471 14.2303 14.2341 16.3226 16.3298 k = 0.2405 0.2411 0.5029 ( 2738 PWs) bands (ev): -46.1174 -46.1174 -22.8369 -22.8358 -22.1858 -22.1851 -22.1811 -22.1792 -14.2077 -14.2077 -6.2789 -6.2756 -5.7484 -5.7432 -5.6452 -5.6404 -0.9976 -0.9477 0.7402 0.7583 1.0225 1.0648 6.2737 6.2754 7.0472 7.0536 7.1989 7.2053 7.3683 7.3683 7.8809 7.9259 8.2199 8.2254 9.4019 9.4081 9.7077 9.7186 9.7980 9.8047 13.6481 13.6623 14.1261 14.1285 14.2118 14.2156 16.2374 16.2448 k = 0.2316 0.2321 0.5029 ( 2742 PWs) bands (ev): -46.1175 -46.1175 -22.8362 -22.8351 -22.1854 -22.1848 -22.1798 -22.1779 -14.2116 -14.2116 -6.3095 -6.3062 -5.7536 -5.7484 -5.6423 -5.6376 -0.9766 -0.9271 0.7700 0.7888 1.0509 1.0923 6.2793 6.2810 7.0468 7.0519 7.2354 7.2418 7.3987 7.3990 7.8869 7.9308 8.2548 8.2593 9.3812 9.3884 9.6789 9.6880 9.7569 9.7663 13.5898 13.6045 14.1083 14.1108 14.1939 14.1978 16.1510 16.1585 k = 0.2227 0.2232 0.5029 ( 2746 PWs) bands (ev): -46.1175 -46.1175 -22.8355 -22.8344 -22.1851 -22.1844 -22.1784 -22.1765 -14.2155 -14.2155 -6.3396 -6.3364 -5.7588 -5.7536 -5.6388 -5.6341 -0.9562 -0.9073 0.7994 0.8192 1.0773 1.1174 6.2848 6.2864 7.0515 7.0555 7.2698 7.2762 7.4281 7.4287 7.8930 7.9359 8.2928 8.2962 9.3645 9.3727 9.6495 9.6556 9.7145 9.7276 13.5310 13.5463 14.0914 14.0939 14.1767 14.1806 16.0637 16.0713 k = 0.2138 0.2143 0.5029 ( 2750 PWs) bands (ev): -46.1176 -46.1176 -22.8348 -22.8337 -22.1847 -22.1841 -22.1771 -22.1752 -14.2193 -14.2193 -6.3692 -6.3660 -5.7639 -5.7587 -5.6347 -5.6302 -0.9367 -0.8884 0.8286 0.8492 1.1014 1.1400 6.2903 6.2919 7.0615 7.0645 7.3019 7.3082 7.4565 7.4573 7.8995 7.9415 8.3335 8.3356 9.3519 9.3613 9.6191 9.6209 9.6711 9.6892 13.4719 13.4877 14.0754 14.0780 14.1603 14.1641 15.9759 15.9836 k = 0.2049 0.2054 0.5029 ( 2750 PWs) bands (ev): -46.1176 -46.1176 -22.8340 -22.8330 -22.1844 -22.1838 -22.1757 -22.1739 -14.2232 -14.2231 -6.3982 -6.3950 -5.7689 -5.7638 -5.6301 -5.6257 -0.9180 -0.8705 0.8573 0.8788 1.1233 1.1601 6.2957 6.2973 7.0769 7.0792 7.3314 7.3375 7.4838 7.4848 7.9063 7.9477 8.3765 8.3772 9.3438 9.3545 9.5836 9.5875 9.6268 9.6515 13.4128 13.4290 14.0604 14.0630 14.1447 14.1485 15.8878 15.8957 k = 0.1960 0.1964 0.5029 ( 2742 PWs) bands (ev): -46.1177 -46.1177 -22.8333 -22.8322 -22.1840 -22.1834 -22.1743 -22.1725 -14.2269 -14.2269 -6.4265 -6.4234 -5.7738 -5.7688 -5.6250 -5.6207 -0.9001 -0.8536 0.8854 0.9079 1.1430 1.1778 6.3012 6.3027 7.0978 7.0994 7.3583 7.3641 7.5098 7.5109 7.9138 7.9546 8.4206 8.4214 9.3401 9.3522 9.5434 9.5539 9.5826 9.6147 13.3539 13.3705 14.0464 14.0491 14.1299 14.1337 15.7997 15.8078 k = 0.1871 0.1875 0.5029 ( 2746 PWs) bands (ev): -46.1177 -46.1177 -22.8326 -22.8316 -22.1837 -22.1831 -22.1731 -22.1713 -14.2306 -14.2306 -6.4540 -6.4510 -5.7786 -5.7737 -5.6195 -5.6153 -0.8831 -0.8377 0.9128 0.9364 1.1606 1.1931 6.3067 6.3082 7.1240 7.1252 7.3827 7.3883 7.5341 7.5353 7.9219 7.9623 8.4653 8.4678 9.3409 9.3545 9.5005 9.5165 9.5403 9.5786 13.2954 13.3124 14.0333 14.0361 14.1159 14.1198 15.7120 15.7202 k = 0.1782 0.1786 0.5029 ( 2746 PWs) bands (ev): -46.1178 -46.1178 -22.8319 -22.8309 -22.1834 -22.1828 -22.1718 -22.1700 -14.2343 -14.2343 -6.4807 -6.4778 -5.7832 -5.7784 -5.6135 -5.6095 -0.8671 -0.8229 0.9394 0.9642 1.1763 1.2062 6.3123 6.3138 7.1554 7.1564 7.4048 7.4101 7.5564 7.5576 7.9309 7.9710 8.5113 8.5156 9.3460 9.3609 9.4556 9.4737 9.5015 9.5429 13.2376 13.2550 14.0213 14.0241 14.1030 14.1069 15.6250 15.6332 k = 0.1693 0.1696 0.5029 ( 2746 PWs) bands (ev): -46.1178 -46.1178 -22.8312 -22.8302 -22.1831 -22.1825 -22.1705 -22.1688 -14.2378 -14.2378 -6.5065 -6.5036 -5.7877 -5.7831 -5.6073 -5.6033 -0.8521 -0.8092 0.9650 0.9911 1.1901 1.2171 6.3180 6.3194 7.1918 7.1927 7.4248 7.4299 7.5765 7.5775 7.9407 7.9807 8.5583 8.5645 9.3550 9.3704 9.4097 9.4270 9.4647 9.5071 13.1809 13.1986 14.0102 14.0131 14.0909 14.0948 15.5388 15.5471 k = 0.1603 0.1607 0.5029 ( 2746 PWs) bands (ev): -46.1179 -46.1179 -22.8305 -22.8296 -22.1827 -22.1822 -22.1693 -22.1676 -14.2412 -14.2412 -6.5314 -6.5286 -5.7920 -5.7875 -5.6007 -5.5969 -0.8381 -0.7966 0.9895 1.0171 1.2024 1.2261 6.3238 6.3252 7.2330 7.2341 7.4430 7.4480 7.5940 7.5948 7.9516 7.9916 8.6062 8.6143 9.3567 9.3666 9.3793 9.3890 9.4282 9.4711 13.1255 13.1435 14.0002 14.0031 14.0798 14.0838 15.4538 15.4622 k = 0.1514 0.1518 0.5029 ( 2752 PWs) bands (ev): -46.1179 -46.1179 -22.8299 -22.8290 -22.1825 -22.1819 -22.1681 -22.1665 -14.2446 -14.2446 -6.5552 -6.5525 -5.7962 -5.7919 -5.5940 -5.5903 -0.8250 -0.7852 1.0126 1.0419 1.2132 1.2334 6.3297 6.3310 7.2787 7.2801 7.4596 7.4645 7.6089 7.6093 7.9636 8.0037 8.6549 8.6650 9.3089 9.3283 9.3809 9.3933 9.4032 9.4356 13.0717 13.0899 13.9910 13.9941 14.0697 14.0737 15.3704 15.3787 k = 0.1425 0.1429 0.5029 ( 2748 PWs) bands (ev): -46.1180 -46.1180 -22.8293 -22.8285 -22.1821 -22.1816 -22.1669 -22.1654 -14.2478 -14.2478 -6.5780 -6.5754 -5.8002 -5.7960 -5.5871 -5.5836 -0.8130 -0.7749 1.0344 1.0654 1.2229 1.2393 6.3356 6.3369 7.3285 7.3304 7.4748 7.4797 7.6211 7.6211 7.9768 8.0171 8.7043 8.7164 9.2589 9.2783 9.3510 9.3929 9.4024 9.4272 13.0199 13.0381 13.9828 13.9859 14.0606 14.0646 15.2887 15.2970 k = 0.1336 0.1339 0.5029 ( 2750 PWs) bands (ev): -46.1180 -46.1180 -22.8287 -22.8279 -22.1818 -22.1814 -22.1658 -22.1644 -14.2508 -14.2508 -6.5996 -6.5971 -5.8040 -5.8000 -5.5801 -5.5768 -0.8019 -0.7656 1.0546 1.0874 1.2318 1.2440 6.3415 6.3428 7.3820 7.3847 7.4889 7.4939 7.6302 7.6307 7.9913 8.0319 8.7544 8.7684 9.2082 9.2279 9.3114 9.3553 9.4215 9.4467 12.9704 12.9886 13.9755 13.9787 14.0525 14.0565 15.2091 15.2173 k = 0.1247 0.1250 0.5029 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8281 -22.8274 -22.1816 -22.1811 -22.1648 -22.1634 -14.2538 -14.2538 -6.6200 -6.6177 -5.8075 -5.8038 -5.5731 -5.5700 -0.7918 -0.7574 1.0730 1.1077 1.2400 1.2479 6.3474 6.3487 7.4386 7.4423 7.5021 7.5073 7.6369 7.6378 8.0070 8.0481 8.8051 8.8208 9.1571 9.1774 9.2701 9.3153 9.4416 9.4680 12.9233 12.9415 13.9690 13.9723 14.0453 14.0493 15.1319 15.1401 k = 0.1158 0.1161 0.5029 ( 2754 PWs) bands (ev): -46.1181 -46.1181 -22.8276 -22.8269 -22.1813 -22.1809 -22.1638 -22.1626 -14.2565 -14.2565 -6.6393 -6.6371 -5.8109 -5.8074 -5.5662 -5.5632 -0.7827 -0.7503 1.0895 1.1260 1.2478 1.2514 6.3533 6.3544 7.4959 7.5003 7.5172 7.5218 7.6413 7.6428 8.0240 8.0657 8.8561 8.8735 9.1059 9.1272 9.2273 9.2738 9.4616 9.4892 12.8792 12.8970 13.9633 13.9666 14.0390 14.0430 15.0575 15.0655 k = 0.1069 0.1071 0.5029 ( 2756 PWs) bands (ev): -46.1181 -46.1181 -22.8271 -22.8265 -22.1811 -22.1807 -22.1629 -22.1617 -14.2591 -14.2591 -6.6572 -6.6552 -5.8140 -5.8107 -5.5594 -5.5567 -0.7744 -0.7442 1.1041 1.1420 1.2550 1.2555 6.3590 6.3601 7.5228 7.5267 7.5644 7.5695 7.6440 7.6457 8.0422 8.0847 8.9072 8.9262 9.0548 9.0774 9.1830 9.2310 9.4807 9.5096 12.8381 12.8556 13.9584 13.9616 14.0336 14.0376 14.9863 14.9940 k = 0.0980 0.0982 0.5029 ( 2756 PWs) bands (ev): -46.1182 -46.1182 -22.8267 -22.8261 -22.1808 -22.1804 -22.1620 -22.1609 -14.2616 -14.2616 -6.6739 -6.6720 -5.8169 -5.8139 -5.5528 -5.5503 -0.7671 -0.7390 1.1167 1.1554 1.2591 1.2631 6.3646 6.3656 7.5335 7.5384 7.6248 7.6349 7.6472 7.6475 8.0618 8.1051 8.9580 8.9786 9.0043 9.0284 9.1372 9.1868 9.4982 9.5281 12.8003 12.8173 13.9541 13.9574 14.0291 14.0330 14.9185 14.9259 k = 0.0891 0.0893 0.5029 ( 2748 PWs) bands (ev): -46.1182 -46.1182 -22.8262 -22.8256 -22.1806 -22.1802 -22.1611 -22.1601 -14.2638 -14.2638 -6.6892 -6.6874 -5.8196 -5.8168 -5.5465 -5.5442 -0.7605 -0.7347 1.1274 1.1659 1.2640 1.2707 6.3699 6.3709 7.5430 7.5483 7.6419 7.6469 7.6953 7.7030 8.0825 8.1269 8.9528 8.9801 9.0100 9.0296 9.0909 9.1414 9.5133 9.5442 12.7661 12.7824 13.9505 13.9537 14.0254 14.0291 14.8547 14.8617 k = 0.0802 0.0804 0.5029 ( 2744 PWs) bands (ev): -46.1182 -46.1182 -22.8258 -22.8253 -22.1804 -22.1800 -22.1604 -22.1594 -14.2659 -14.2659 -6.7031 -6.7015 -5.8220 -5.8194 -5.5406 -5.5385 -0.7546 -0.7312 1.1363 1.1735 1.2699 1.2782 6.3750 6.3758 7.5517 7.5573 7.6409 7.6457 7.7613 7.7721 8.1044 8.1500 8.9034 8.9334 9.0360 9.0597 9.0865 9.0949 9.5255 9.5572 12.7354 12.7509 13.9474 13.9505 14.0223 14.0259 14.7951 14.8018 k = 0.0713 0.0714 0.5029 ( 2744 PWs) bands (ev): -46.1182 -46.1182 -22.8254 -22.8250 -22.1802 -22.1799 -22.1597 -22.1589 -14.2677 -14.2677 -6.7157 -6.7143 -5.8242 -5.8219 -5.5351 -5.5332 -0.7495 -0.7285 1.1437 1.1784 1.2767 1.2856 6.3797 6.3805 7.5596 7.5656 7.6386 7.6437 7.8282 7.8420 8.1271 8.1741 8.8546 8.8884 8.9870 9.0467 9.1095 9.1350 9.5343 9.5665 12.7085 12.7229 13.9449 13.9478 14.0199 14.0233 14.7404 14.7465 k = 0.0624 0.0625 0.5029 ( 2746 PWs) bands (ev): -46.1183 -46.1183 -22.8251 -22.8247 -22.1800 -22.1798 -22.1591 -22.1583 -14.2694 -14.2694 -6.7268 -6.7256 -5.8261 -5.8240 -5.5300 -5.5283 -0.7449 -0.7265 1.1497 1.1811 1.2839 1.2925 6.3840 6.3847 7.5668 7.5732 7.6355 7.6411 7.8948 7.9120 8.1506 8.1990 8.8071 8.8456 8.9350 8.9984 9.1575 9.1838 9.5393 9.5719 12.6853 12.6984 13.9429 13.9455 14.0181 14.0212 14.6908 14.6963 k = 0.0534 0.0536 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8249 -22.8245 -22.1799 -22.1797 -22.1586 -22.1580 -14.2708 -14.2708 -6.7365 -6.7354 -5.8277 -5.8260 -5.5255 -5.5240 -0.7410 -0.7250 1.1546 1.1821 1.2911 1.2990 6.3878 6.3885 7.5734 7.5801 7.6320 7.6380 7.9601 7.9814 8.1743 8.2243 8.7611 8.8059 8.8817 8.9496 9.2039 9.2308 9.5403 9.5730 12.6657 12.6774 13.9412 13.9437 14.0168 14.0196 14.6467 14.6517 k = 0.0445 0.0446 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8246 -22.8243 -22.1798 -22.1796 -22.1581 -22.1576 -14.2721 -14.2721 -6.7447 -6.7438 -5.8291 -5.8276 -5.5216 -5.5203 -0.7375 -0.7242 1.1588 1.1819 1.2979 1.3046 6.3912 6.3917 7.5795 7.5863 7.6283 7.6347 8.0233 8.0491 8.1979 8.2492 8.7175 8.7700 8.8278 8.9012 9.2482 9.2757 9.5372 9.5696 12.6497 12.6597 13.9400 13.9421 14.0159 14.0183 14.6087 14.6130 k = 0.0356 0.0357 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8244 -22.8242 -22.1797 -22.1795 -22.1577 -22.1573 -14.2731 -14.2731 -6.7514 -6.7507 -5.8302 -5.8290 -5.5182 -5.5173 -0.7345 -0.7238 1.1623 1.1809 1.3040 1.3094 6.3940 6.3945 7.5850 7.5919 7.6246 7.6312 8.0830 8.1138 8.2204 8.2727 8.6771 8.7393 8.7742 8.8541 9.2899 9.3176 9.5302 9.5619 12.6371 12.6454 13.9391 13.9408 14.0153 14.0173 14.5771 14.5806 k = 0.0267 0.0268 0.5029 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8242 -22.8240 -22.1796 -22.1795 -22.1573 -22.1570 -14.2739 -14.2739 -6.7566 -6.7561 -5.8310 -5.8301 -5.5156 -5.5149 -0.7319 -0.7239 1.1654 1.1794 1.3090 1.3131 6.3963 6.3966 7.5900 7.5968 7.6211 7.6276 8.1374 8.1729 8.2411 8.2929 8.6419 8.7135 8.7245 8.8095 9.3284 9.3555 9.5200 9.5502 12.6278 12.6341 13.9385 13.9398 14.0150 14.0165 14.5523 14.5549 k = 0.0178 0.0179 0.5029 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8241 -22.8240 -22.1795 -22.1794 -22.1571 -22.1569 -14.2745 -14.2745 -6.7603 -6.7600 -5.8315 -5.8309 -5.5137 -5.5132 -0.7297 -0.7243 1.1681 1.1775 1.3129 1.3156 6.3979 6.3981 7.5945 7.6005 7.6182 7.6241 8.1841 8.2207 8.2605 8.3074 8.6152 8.6720 8.7042 8.7695 9.3628 9.3872 9.5084 9.5349 12.6216 12.6259 13.9381 13.9390 14.0149 14.0159 14.5344 14.5362 k = 0.0089 0.0089 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8239 -22.1795 -22.1794 -22.1569 -22.1568 -14.2748 -14.2748 -6.7625 -6.7623 -5.8318 -5.8315 -5.5124 -5.5122 -0.7279 -0.7252 1.1707 1.1754 1.3155 1.3169 6.3989 6.3990 7.5984 7.6023 7.6168 7.6207 8.2199 8.2438 8.2841 8.3126 8.6019 8.6326 8.7020 8.7364 9.3911 9.4078 9.5002 9.5179 12.6184 12.6205 13.9380 13.9385 14.0150 14.0155 14.5238 14.5247 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8240 -22.1794 -22.1794 -22.1569 -22.1569 -14.2749 -14.2749 -6.7632 -6.7632 -5.8318 -5.8318 -5.5120 -5.5120 -0.7263 -0.7263 1.1731 1.1731 1.3169 1.3169 6.3993 6.3993 7.6014 7.6014 7.6179 7.6179 8.2410 8.2410 8.3050 8.3050 8.6075 8.6075 8.7131 8.7131 9.4088 9.4088 9.5036 9.5036 12.6180 12.6180 13.9382 13.9382 14.0151 14.0151 14.5205 14.5205 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8240 -22.1794 -22.1794 -22.1569 -22.1569 -14.2749 -14.2749 -6.7632 -6.7632 -5.8318 -5.8318 -5.5120 -5.5120 -0.7263 -0.7263 1.1731 1.1731 1.3169 1.3169 6.3993 6.3993 7.6014 7.6014 7.6179 7.6179 8.2410 8.2410 8.3050 8.3050 8.6075 8.6075 8.7131 8.7131 9.4088 9.4088 9.5036 9.5036 12.6180 12.6180 13.9382 13.9382 14.0151 14.0151 14.5205 14.5205 k = 0.0000 0.0000 0.4903 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8239 -22.1794 -22.1793 -22.1569 -22.1569 -14.2751 -14.2751 -6.7627 -6.7626 -5.8319 -5.8319 -5.5128 -5.5126 -0.7267 -0.7266 1.1728 1.1728 1.3161 1.3166 6.4016 6.4019 7.6023 7.6023 7.6190 7.6190 8.2397 8.2450 8.3055 8.3065 8.6070 8.6095 8.7131 8.7143 9.4094 9.4099 9.5043 9.5045 12.6177 12.6179 13.9354 13.9362 14.0122 14.0132 14.5203 14.5211 k = 0.0000 0.0000 0.4778 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8239 -22.8238 -22.1793 -22.1791 -22.1569 -22.1569 -14.2757 -14.2757 -6.7612 -6.7608 -5.8320 -5.8320 -5.5152 -5.5147 -0.7277 -0.7275 1.1718 1.1718 1.3142 1.3153 6.4088 6.4095 7.6050 7.6051 7.6221 7.6223 8.2411 8.2516 8.3080 8.3098 8.6081 8.6129 8.7141 8.7166 9.4117 9.4128 9.5064 9.5068 12.6170 12.6173 13.9279 13.9294 14.0046 14.0065 14.5205 14.5219 k = 0.0000 0.0000 0.4652 ( 2754 PWs) bands (ev): -46.1184 -46.1184 -22.8238 -22.8236 -22.1790 -22.1788 -22.1569 -22.1569 -14.2767 -14.2766 -6.7585 -6.7580 -5.8323 -5.8323 -5.5191 -5.5183 -0.7293 -0.7290 1.1701 1.1702 1.3113 1.3129 6.4209 6.4219 7.6096 7.6098 7.6274 7.6275 8.2450 8.2608 8.3124 8.3152 8.6106 8.6178 8.7164 8.7201 9.4157 9.4175 9.5100 9.5106 12.6158 12.6162 13.9157 13.9179 13.9922 13.9950 14.5209 14.5230 k = 0.0000 0.0000 0.4526 ( 2750 PWs) bands (ev): -46.1184 -46.1184 -22.8236 -22.8234 -22.1786 -22.1784 -22.1569 -22.1569 -14.2780 -14.2780 -6.7548 -6.7540 -5.8327 -5.8327 -5.5245 -5.5234 -0.7315 -0.7311 1.1678 1.1679 1.3073 1.3095 6.4379 6.4392 7.6158 7.6161 7.6348 7.6349 8.2514 8.2724 8.3188 8.3225 8.6148 8.6242 8.7198 8.7249 9.4214 9.4238 9.5150 9.5159 12.6142 12.6148 13.8988 13.9018 13.9752 13.9788 14.5217 14.5243 k = 0.0000 0.0000 0.4400 ( 2746 PWs) bands (ev): -46.1184 -46.1184 -22.8234 -22.8231 -22.1782 -22.1778 -22.1569 -22.1569 -14.2797 -14.2797 -6.7500 -6.7491 -5.8332 -5.8332 -5.5312 -5.5298 -0.7342 -0.7338 1.1649 1.1650 1.3024 1.3050 6.4595 6.4611 7.6238 7.6242 7.6442 7.6442 8.2602 8.2863 8.3272 8.3317 8.6206 8.6319 8.7246 8.7311 9.4287 9.4319 9.5215 9.5227 12.6121 12.6129 13.8775 13.8812 13.9538 13.9581 14.5226 14.5257 k = 0.0000 0.0000 0.4275 ( 2752 PWs) bands (ev): -46.1184 -46.1184 -22.8232 -22.8229 -22.1776 -22.1773 -22.1570 -22.1570 -14.2818 -14.2818 -6.7442 -6.7432 -5.8338 -5.8338 -5.5392 -5.5376 -0.7376 -0.7371 1.1614 1.1615 1.2965 1.2995 6.4857 6.4877 7.6333 7.6338 7.6555 7.6557 8.2712 8.3021 8.3378 8.3428 8.6280 8.6410 8.7308 8.7389 9.4377 9.4417 9.5295 9.5309 12.6097 12.6106 13.8517 13.8561 13.9280 13.9330 14.5238 14.5273 k = 0.0000 0.0000 0.4149 ( 2762 PWs) bands (ev): -46.1184 -46.1184 -22.8230 -22.8226 -22.1771 -22.1766 -22.1570 -22.1570 -14.2842 -14.2842 -6.7375 -6.7363 -5.8345 -5.8344 -5.5485 -5.5467 -0.7415 -0.7410 1.1573 1.1575 1.2896 1.2931 6.5164 6.5187 7.6443 7.6449 7.6687 7.6691 8.2843 8.3193 8.3507 8.3557 8.6372 8.6514 8.7387 8.7484 9.4481 9.4532 9.5388 9.5405 12.6068 12.6079 13.8217 13.8268 13.8982 13.9037 14.5250 14.5288 k = 0.0000 0.0000 0.4023 ( 2762 PWs) bands (ev): -46.1184 -46.1184 -22.8226 -22.8222 -22.1763 -22.1758 -22.1571 -22.1571 -14.2870 -14.2869 -6.7299 -6.7285 -5.8352 -5.8352 -5.5590 -5.5569 -0.7460 -0.7454 1.1527 1.1529 1.2819 1.2858 6.5514 6.5540 7.6568 7.6572 7.6837 7.6844 8.2993 8.3374 8.3663 8.3705 8.6481 8.6630 8.7484 8.7600 9.4601 9.4663 9.5495 9.5516 12.6036 12.6049 13.7877 13.7933 13.8644 13.8703 14.5264 14.5304 k = 0.0000 0.0000 0.3898 ( 2762 PWs) bands (ev): -46.1185 -46.1185 -22.8223 -22.8218 -22.1755 -22.1749 -22.1572 -22.1571 -14.2901 -14.2900 -6.7215 -6.7200 -5.8361 -5.8361 -5.5705 -5.5682 -0.7509 -0.7503 1.1476 1.1477 1.2733 1.2776 6.5905 6.5935 7.6705 7.6708 7.7003 7.7013 8.3160 8.3557 8.3847 8.3871 8.6608 8.6758 8.7604 8.7739 9.4735 9.4810 9.5616 9.5640 12.6001 12.6015 13.7498 13.7560 13.8268 13.8332 14.5277 14.5320 k = 0.0000 0.0000 0.3772 ( 2754 PWs) bands (ev): -46.1185 -46.1185 -22.8218 -22.8213 -22.1745 -22.1739 -22.1572 -22.1572 -14.2934 -14.2933 -6.7124 -6.7107 -5.8371 -5.8370 -5.5829 -5.5804 -0.7563 -0.7557 1.1420 1.1422 1.2640 1.2686 6.6335 6.6369 7.6853 7.6854 7.7186 7.7198 8.3344 8.3742 8.4052 8.4059 8.6752 8.6898 8.7750 8.7903 9.4883 9.4973 9.5751 9.5778 12.5962 12.5978 13.7083 13.7151 13.7858 13.7924 14.5291 14.5334 k = 0.0000 0.0000 0.3646 ( 2762 PWs) bands (ev): -46.1185 -46.1185 -22.8214 -22.8209 -22.1735 -22.1729 -22.1573 -22.1573 -14.2970 -14.2970 -6.7026 -6.7007 -5.8381 -5.8381 -5.5961 -5.5934 -0.7622 -0.7616 1.1360 1.1361 1.2540 1.2588 6.6801 6.6839 7.7010 7.7012 7.7382 7.7397 8.3542 8.3931 8.4249 8.4290 8.6913 8.7047 8.7925 8.8096 9.5043 9.5150 9.5898 9.5930 12.5920 12.5938 13.6634 13.6707 13.7413 13.7482 14.5304 14.5348 k = 0.0000 0.0000 0.3520 ( 2762 PWs) bands (ev): -46.1186 -46.1186 -22.8210 -22.8203 -22.1724 -22.1717 -22.1573 -22.1573 -14.3009 -14.3008 -6.6922 -6.6902 -5.8392 -5.8392 -5.6100 -5.6071 -0.7686 -0.7679 1.1295 1.1297 1.2433 1.2483 6.7301 6.7343 7.7172 7.7179 7.7590 7.7607 8.3755 8.4125 8.4459 8.4535 8.7088 8.7207 8.8135 8.8318 9.5216 9.5343 9.6057 9.6094 12.5876 12.5896 13.6154 13.6231 13.6938 13.7008 14.5317 14.5361 k = 0.0000 0.0000 0.3395 ( 2761 PWs) bands (ev): -46.1186 -46.1186 -22.8205 -22.8198 -22.1713 -22.1705 -22.1574 -22.1574 -14.3050 -14.3049 -6.6814 -6.6792 -5.8404 -5.8404 -5.6244 -5.6213 -0.7752 -0.7746 1.1227 1.1229 1.2320 1.2373 6.7832 6.7879 7.7341 7.7352 7.7809 7.7828 8.3980 8.4329 8.4681 8.4787 8.7278 8.7377 8.8383 8.8572 9.5401 9.5549 9.6229 9.6271 12.5829 12.5851 13.5646 13.5727 13.6434 13.6506 14.5329 14.5373 k = 0.0000 0.0000 0.3269 ( 2761 PWs) bands (ev): -46.1186 -46.1186 -22.8199 -22.8192 -22.1700 -22.1693 -22.1575 -22.1575 -14.3092 -14.3092 -6.6702 -6.6679 -5.8416 -5.8416 -5.6392 -5.6359 -0.7823 -0.7817 1.1157 1.1159 1.2202 1.2256 6.8390 6.8442 7.7513 7.7532 7.8036 7.8056 8.4218 8.4543 8.4913 8.5043 8.7479 8.7557 8.8672 8.8857 9.5596 9.5769 9.6413 9.6460 12.5780 12.5804 13.5111 13.5197 13.5904 13.5976 14.5340 14.5383 k = 0.0000 0.0000 0.3143 ( 2753 PWs) bands (ev): -46.1187 -46.1187 -22.8193 -22.8186 -22.1687 -22.1680 -22.1575 -22.1575 -14.3137 -14.3136 -6.6588 -6.6564 -5.8429 -5.8428 -5.6542 -5.6508 -0.7896 -0.7891 1.1083 1.1086 1.2080 1.2135 6.8973 6.9031 7.7688 7.7714 7.8268 7.8290 8.4468 8.4768 8.5154 8.5301 8.7691 8.7749 8.9005 8.9173 9.5801 9.6000 9.6609 9.6661 12.5730 12.5756 13.4555 13.4643 13.5350 13.5422 14.5351 14.5393 k = 0.0000 0.0000 0.3017 ( 2753 PWs) bands (ev): -46.1187 -46.1187 -22.8188 -22.8180 -22.1674 -22.1666 -22.1576 -22.1576 -14.3183 -14.3182 -6.6472 -6.6447 -5.8442 -5.8442 -5.6693 -5.6658 -0.7973 -0.7968 1.1008 1.1010 1.1954 1.2010 6.9577 6.9642 7.7864 7.7899 7.8504 7.8528 8.4731 8.5004 8.5402 8.5558 8.7914 8.7953 8.9379 8.9519 9.6014 9.6244 9.6815 9.6873 12.5678 12.5706 13.3979 13.4070 13.4774 13.4847 14.5360 14.5402 k = 0.0000 0.0000 0.2892 ( 2753 PWs) bands (ev): -46.1188 -46.1188 -22.8182 -22.8174 -22.1660 -22.1652 -22.1577 -22.1576 -14.3229 -14.3228 -6.6357 -6.6330 -5.8455 -5.8455 -5.6843 -5.6807 -0.8051 -0.8047 1.0931 1.0933 1.1826 1.1882 7.0199 7.0270 7.8040 7.8084 7.8742 7.8766 8.5005 8.5251 8.5659 8.5815 8.8146 8.8168 8.9794 8.9893 9.6236 9.6497 9.7033 9.7095 12.5624 12.5655 13.3387 13.3481 13.4180 13.4253 14.5369 14.5409 k = 0.0000 0.0000 0.2766 ( 2757 PWs) bands (ev): -46.1188 -46.1188 -22.8176 -22.8169 -22.1646 -22.1638 -22.1578 -22.1577 -14.3277 -14.3276 -6.6242 -6.6215 -5.8469 -5.8469 -5.6991 -5.6954 -0.8131 -0.8127 1.0853 1.0855 1.1696 1.1751 7.0833 7.0913 7.8213 7.8268 7.8978 7.9002 8.5291 8.5509 8.5922 8.6073 8.8387 8.8394 9.0244 9.0293 9.6464 9.6759 9.7262 9.7327 12.5570 12.5604 13.2783 13.2880 13.3569 13.3643 14.5377 14.5416 k = 0.0000 0.0000 0.2640 ( 2761 PWs) bands (ev): -46.1188 -46.1188 -22.8170 -22.8163 -22.1632 -22.1624 -22.1579 -22.1578 -14.3325 -14.3324 -6.6130 -6.6102 -5.8483 -5.8483 -5.7135 -5.7098 -0.8213 -0.8210 1.0775 1.0777 1.1564 1.1619 7.1477 7.1566 7.8383 7.8450 7.9210 7.9235 8.5588 8.5779 8.6192 8.6334 8.8631 8.8637 9.0716 9.0727 9.6699 9.7027 9.7503 9.7568 12.5515 12.5552 13.2171 13.2269 13.2946 13.3020 14.5385 14.5422 k = 0.0000 0.0000 0.2515 ( 2765 PWs) bands (ev): -46.1189 -46.1189 -22.8164 -22.8157 -22.1618 -22.1611 -22.1580 -22.1579 -14.3373 -14.3372 -6.6021 -6.5992 -5.8497 -5.8497 -5.7274 -5.7236 -0.8295 -0.8293 1.0696 1.0698 1.1432 1.1486 7.2125 7.2225 7.8549 7.8628 7.9437 7.9461 8.5897 8.6060 8.6470 8.6599 8.8877 8.8895 9.1159 9.1237 9.6938 9.7300 9.7755 9.7817 12.5459 12.5500 13.1554 13.1653 13.2313 13.2387 14.5391 14.5427 k = 0.0000 0.0000 0.2389 ( 2765 PWs) bands (ev): -46.1189 -46.1189 -22.8158 -22.8151 -22.1603 -22.1597 -22.1581 -22.1578 -14.3421 -14.3421 -6.5917 -6.5888 -5.8511 -5.8511 -5.7407 -5.7369 -0.8378 -0.8376 1.0618 1.0620 1.1301 1.1354 7.2774 7.2885 7.8710 7.8803 7.9655 7.9679 8.6215 8.6351 8.6755 8.6869 8.9130 8.9158 9.1619 9.1768 9.7181 9.7574 9.8021 9.8073 12.5403 12.5448 13.0936 13.1036 13.1673 13.1747 14.5397 14.5431 k = 0.0000 0.0000 0.2263 ( 2765 PWs) bands (ev): -46.1190 -46.1190 -22.8152 -22.8145 -22.1589 -22.1588 -22.1582 -22.1574 -14.3469 -14.3468 -6.5818 -6.5789 -5.8525 -5.8525 -5.7532 -5.7494 -0.8460 -0.8459 1.0541 1.0543 1.1171 1.1222 7.3419 7.3543 7.8866 7.8974 7.9864 7.9888 8.6541 8.6652 8.7048 8.7144 8.9389 8.9425 9.2092 9.2317 9.7426 9.7846 9.8299 9.8335 12.5347 12.5397 13.0323 13.0423 13.1029 13.1104 14.5403 14.5435 k = 0.0000 0.0000 0.2137 ( 2761 PWs) bands (ev): -46.1190 -46.1190 -22.8146 -22.8139 -22.1585 -22.1583 -22.1574 -22.1563 -14.3516 -14.3515 -6.5726 -6.5696 -5.8539 -5.8538 -5.7648 -5.7610 -0.8542 -0.8542 1.0465 1.0467 1.1042 1.1092 7.4053 7.4193 7.9016 7.9140 8.0062 8.0085 8.6875 8.6961 8.7349 8.7427 8.9650 8.9694 9.2576 9.2879 9.7672 9.8114 9.8590 9.8602 12.5290 12.5346 12.9718 12.9817 13.0385 13.0461 14.5408 14.5438 k = 0.0000 0.0000 0.2012 ( 2761 PWs) bands (ev): -46.1190 -46.1190 -22.8140 -22.8133 -22.1585 -22.1583 -22.1560 -22.1550 -14.3562 -14.3561 -6.5640 -6.5612 -5.8552 -5.8552 -5.7755 -5.7718 -0.8623 -0.8623 1.0391 1.0393 1.0917 1.0965 7.4674 7.4830 7.9161 7.9302 8.0248 8.0269 8.7215 8.7278 8.7656 8.7714 8.9911 8.9963 9.3065 9.3447 9.7918 9.8378 9.8872 9.8890 12.5233 12.5296 12.9127 12.9224 12.9745 12.9822 14.5412 14.5440 k = 0.0000 0.0000 0.1886 ( 2757 PWs) bands (ev): -46.1191 -46.1191 -22.8134 -22.8127 -22.1585 -22.1584 -22.1546 -22.1537 -14.3607 -14.3606 -6.5563 -6.5535 -5.8565 -5.8565 -5.7851 -5.7816 -0.8703 -0.8702 1.0319 1.0321 1.0795 1.0841 7.5274 7.5449 7.9301 7.9462 8.0420 8.0440 8.7559 8.7602 8.7969 8.8007 9.0171 9.0229 9.3558 9.4019 9.8161 9.8635 9.9143 9.9197 12.5175 12.5246 12.8554 12.8648 12.9111 12.9191 14.5416 14.5442 k = 0.0000 0.0000 0.1760 ( 2769 PWs) bands (ev): -46.1191 -46.1191 -22.8129 -22.8123 -22.1586 -22.1585 -22.1533 -22.1524 -14.3650 -14.3650 -6.5494 -6.5466 -5.8578 -5.8577 -5.7937 -5.7903 -0.8780 -0.8779 1.0249 1.0251 1.0678 1.0721 7.5849 7.6044 7.9439 7.9620 8.0579 8.0597 8.7904 8.7928 8.8285 8.8303 9.0425 9.0488 9.4051 9.4589 9.8400 9.8887 9.9412 9.9506 12.5115 12.5198 12.8003 12.8093 12.8489 12.8573 14.5419 14.5444 k = 0.0000 0.0000 0.1634 ( 2761 PWs) bands (ev): -46.1192 -46.1192 -22.8124 -22.8117 -22.1586 -22.1586 -22.1519 -22.1511 -14.3692 -14.3691 -6.5433 -6.5406 -5.8590 -5.8590 -5.8013 -5.7980 -0.8854 -0.8853 1.0183 1.0185 1.0565 1.0606 7.6392 7.6609 7.9576 7.9779 8.0724 8.0741 8.8249 8.8257 8.8600 8.8601 9.0671 9.0740 9.4541 9.5153 9.8633 9.9132 9.9677 9.9810 12.5054 12.5150 12.7480 12.7566 12.7882 12.7973 14.5422 14.5445 k = 0.0000 0.0000 0.1509 ( 2761 PWs) bands (ev): -46.1192 -46.1192 -22.8119 -22.8113 -22.1587 -22.1586 -22.1507 -22.1499 -14.3731 -14.3731 -6.5380 -6.5355 -5.8602 -5.8601 -5.8078 -5.8047 -0.8926 -0.8924 1.0120 1.0122 1.0458 1.0496 7.6896 7.7135 7.9716 7.9941 8.0855 8.0871 8.8585 8.8590 8.8896 8.8915 9.0907 9.0980 9.5025 9.5708 9.8859 9.9369 9.9934 10.0105 12.4989 12.5103 12.6987 12.7071 12.7295 12.7400 14.5425 14.5446 k = 0.0000 0.0000 0.1383 ( 2757 PWs) bands (ev): -46.1192 -46.1192 -22.8114 -22.8108 -22.1587 -22.1587 -22.1495 -22.1488 -14.3769 -14.3768 -6.5335 -6.5311 -5.8613 -5.8612 -5.8133 -5.8104 -0.8993 -0.8991 1.0061 1.0063 1.0357 1.0393 7.7357 7.7615 7.9864 8.0108 8.0973 8.0988 8.8910 8.8925 8.9187 8.9224 9.1129 9.1207 9.5503 9.6250 9.9073 9.9598 10.0178 10.0383 12.4919 12.5055 12.6521 12.6612 12.6733 12.6867 14.5427 14.5447 k = 0.0000 0.0000 0.1257 ( 2749 PWs) bands (ev): -46.1193 -46.1193 -22.8109 -22.8104 -22.1588 -22.1587 -22.1483 -22.1477 -14.3803 -14.3803 -6.5298 -6.5276 -5.8623 -5.8622 -5.8179 -5.8152 -0.9057 -0.9054 1.0006 1.0008 1.0263 1.0296 7.7767 7.8040 8.0024 8.0283 8.1078 8.1092 8.9228 8.9251 8.9470 8.9522 9.1336 9.1417 9.5970 9.6777 9.9274 9.9818 10.0405 10.0638 12.4840 12.5004 12.6071 12.6172 12.6225 12.6397 14.5429 14.5447 k = 0.0000 0.0000 0.1132 ( 2747 PWs) bands (ev): -46.1193 -46.1193 -22.8105 -22.8100 -22.1588 -22.1588 -22.1473 -22.1467 -14.3835 -14.3835 -6.5267 -6.5247 -5.8632 -5.8632 -5.8216 -5.8192 -0.9116 -0.9113 0.9955 0.9957 1.0177 1.0206 7.8123 7.8401 8.0203 8.0466 8.1171 8.1183 8.9536 8.9565 8.9741 8.9806 9.1525 9.1608 9.6427 9.7286 9.9458 10.0028 10.0611 10.0863 12.4751 12.4946 12.5621 12.5689 12.5844 12.6017 14.5431 14.5447 k = 0.0000 0.0000 0.1006 ( 2747 PWs) bands (ev): -46.1193 -46.1193 -22.8101 -22.8096 -22.1589 -22.1588 -22.1463 -22.1458 -14.3864 -14.3864 -6.5243 -6.5225 -5.8641 -5.8640 -5.8246 -5.8224 -0.9170 -0.9167 0.9909 0.9910 1.0098 1.0125 7.8424 7.8693 8.0402 8.0657 8.1253 8.1263 8.9831 8.9862 8.9998 9.0074 9.1694 9.1779 9.6870 9.7775 9.9622 10.0224 10.0791 10.1051 12.4647 12.4862 12.5183 12.5246 12.5535 12.5726 14.5433 14.5447 k = 0.0000 0.0000 0.0880 ( 2747 PWs) bands (ev): -46.1193 -46.1193 -22.8097 -22.8093 -22.1589 -22.1589 -22.1455 -22.1450 -14.3891 -14.3890 -6.5224 -6.5208 -5.8648 -5.8648 -5.8268 -5.8249 -0.9218 -0.9215 0.9867 0.9869 1.0028 1.0051 7.8671 7.8918 8.0616 8.0849 8.1323 8.1333 9.0108 9.0138 9.0236 9.0321 9.1842 9.1926 9.7299 9.8244 9.9761 10.0407 10.0942 10.1196 12.4530 12.4675 12.4776 12.4923 12.5299 12.5509 14.5434 14.5447 k = 0.0000 0.0000 0.0754 ( 2759 PWs) bands (ev): -46.1194 -46.1194 -22.8095 -22.8091 -22.1590 -22.1590 -22.1448 -22.1444 -14.3914 -14.3913 -6.5210 -6.5196 -5.8655 -5.8655 -5.8285 -5.8269 -0.9261 -0.9258 0.9831 0.9833 0.9966 0.9987 7.8870 7.9085 8.0834 8.1035 8.1383 8.1392 9.0363 9.0388 9.0453 9.0545 9.1967 9.2050 9.7710 9.8690 9.9870 10.0575 10.1061 10.1292 12.4348 12.4352 12.4471 12.4747 12.5146 12.5352 14.5436 14.5446 k = 0.0000 0.0000 0.0629 ( 2763 PWs) bands (ev): -46.1194 -46.1194 -22.8092 -22.8089 -22.1590 -22.1590 -22.1442 -22.1438 -14.3933 -14.3933 -6.5199 -6.5188 -5.8661 -5.8661 -5.8297 -5.8283 -0.9297 -0.9295 0.9800 0.9802 0.9914 0.9931 7.9027 7.9206 8.1042 8.1207 8.1433 8.1442 9.0589 9.0605 9.0648 9.0745 9.2070 9.2149 9.8100 9.9111 9.9943 10.0725 10.1149 10.1337 12.4035 12.4046 12.4343 12.4597 12.5061 12.5239 14.5437 14.5445 k = 0.0000 0.0000 0.0503 ( 2761 PWs) bands (ev): -46.1194 -46.1194 -22.8090 -22.8088 -22.1590 -22.1590 -22.1436 -22.1433 -14.3950 -14.3949 -6.5192 -6.5182 -5.8666 -5.8665 -5.8306 -5.8294 -0.9327 -0.9326 0.9775 0.9776 0.9871 0.9885 7.9149 7.9290 8.1228 8.1353 8.1475 8.1487 9.0775 9.0785 9.0826 9.0918 9.2152 9.2223 9.8467 9.9505 9.9976 10.0857 10.1206 10.1328 12.3763 12.3774 12.4256 12.4462 12.5015 12.5156 14.5438 14.5445 k = 0.0000 0.0000 0.0377 ( 2769 PWs) bands (ev): -46.1194 -46.1194 -22.8089 -22.8087 -22.1591 -22.1591 -22.1432 -22.1430 -14.3962 -14.3962 -6.5186 -6.5179 -5.8669 -5.8669 -5.8311 -5.8302 -0.9351 -0.9350 0.9755 0.9756 0.9837 0.9848 7.9242 7.9345 8.1379 8.1456 8.1512 8.1535 9.0914 9.0924 9.0985 9.1061 9.2215 9.2274 9.8805 9.9867 9.9965 10.0969 10.1236 10.1266 12.3546 12.3555 12.4197 12.4352 12.4989 12.5093 14.5370 14.5391 k = 0.0000 0.0000 0.0251 ( 2769 PWs) bands (ev): -46.1194 -46.1194 -22.8087 -22.8086 -22.1591 -22.1591 -22.1429 -22.1428 -14.3971 -14.3971 -6.5182 -6.5177 -5.8672 -5.8672 -5.8314 -5.8308 -0.9368 -0.9367 0.9741 0.9742 0.9814 0.9821 7.9309 7.9377 8.1478 8.1504 8.1555 8.1595 9.1012 9.1021 9.1112 9.1165 9.2260 9.2303 9.9110 9.9891 10.0208 10.1056 10.1155 10.1242 12.3389 12.3395 12.4163 12.4267 12.4979 12.5047 14.5124 14.5138 k = 0.0000 0.0000 0.0126 ( 2773 PWs) bands (ev): -46.1194 -46.1194 -22.8086 -22.8086 -22.1591 -22.1591 -22.1427 -22.1426 -14.3977 -14.3977 -6.5180 -6.5177 -5.8674 -5.8673 -5.8315 -5.8312 -0.9378 -0.9378 0.9732 0.9733 0.9801 0.9804 7.9355 7.9389 8.1516 8.1522 8.1610 8.1637 9.1072 9.1078 9.1198 9.1225 9.2290 9.2313 9.9376 9.9771 10.0504 10.0974 10.1143 10.1228 12.3295 12.3298 12.4154 12.4206 12.4979 12.5013 14.4975 14.4982 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.1194 -46.1194 -22.8086 -22.8086 -22.1591 -22.1591 -22.1426 -22.1426 -14.3979 -14.3979 -6.5178 -6.5178 -5.8674 -5.8674 -5.8314 -5.8314 -0.9381 -0.9381 0.9730 0.9730 0.9797 0.9797 7.9381 7.9381 8.1526 8.1526 8.1642 8.1642 9.1094 9.1094 9.1236 9.1236 9.2308 9.2308 9.9598 9.9598 10.0762 10.0762 10.1194 10.1194 12.3264 12.3264 12.4168 12.4168 12.4991 12.4991 14.4927 14.4927 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -46.1194 -46.1194 -22.8086 -22.8086 -22.1591 -22.1591 -22.1426 -22.1426 -14.3979 -14.3979 -6.5178 -6.5178 -5.8674 -5.8674 -5.8314 -5.8314 -0.9381 -0.9381 0.9730 0.9730 0.9797 0.9797 7.9381 7.9381 8.1526 8.1526 8.1642 8.1642 9.1094 9.1094 9.1236 9.1236 9.2308 9.2308 9.9598 9.9598 10.0762 10.0762 10.1194 10.1194 12.3264 12.3264 12.4168 12.4168 12.4991 12.4991 14.4927 14.4927 k =-0.0089 0.0089 0.0000 ( 2779 PWs) bands (ev): -46.1194 -46.1194 -22.8086 -22.8086 -22.1592 -22.1592 -22.1427 -22.1427 -14.3977 -14.3977 -6.5178 -6.5178 -5.8674 -5.8674 -5.8314 -5.8314 -0.9378 -0.9378 0.9734 0.9734 0.9801 0.9801 7.9371 7.9371 8.1509 8.1509 8.1634 8.1634 9.1063 9.1063 9.1216 9.1216 9.2309 9.2309 9.9577 9.9577 10.0740 10.0740 10.1179 10.1179 12.3284 12.3284 12.4182 12.4182 12.5015 12.5015 14.4940 14.4940 k =-0.0179 0.0178 0.0000 ( 2775 PWs) bands (ev): -46.1194 -46.1194 -22.8087 -22.8087 -22.1593 -22.1593 -22.1427 -22.1427 -14.3971 -14.3971 -6.5178 -6.5178 -5.8673 -5.8673 -5.8313 -5.8313 -0.9367 -0.9367 0.9745 0.9745 0.9815 0.9815 7.9339 7.9339 8.1456 8.1456 8.1612 8.1612 9.0967 9.0967 9.1158 9.1158 9.2309 9.2309 9.9512 9.9512 10.0675 10.0675 10.1135 10.1135 12.3345 12.3345 12.4224 12.4224 12.5086 12.5086 14.4978 14.4978 k =-0.0268 0.0267 0.0000 ( 2771 PWs) bands (ev): -46.1194 -46.1194 -22.8088 -22.8088 -22.1595 -22.1595 -22.1427 -22.1427 -14.3963 -14.3963 -6.5178 -6.5178 -5.8671 -5.8671 -5.8311 -5.8311 -0.9350 -0.9350 0.9758 0.9758 0.9841 0.9841 7.9285 7.9285 8.1367 8.1367 8.1578 8.1578 9.0806 9.0806 9.1063 9.1063 9.2309 9.2309 9.9402 9.9402 10.0570 10.0570 10.1063 10.1063 12.3445 12.3445 12.4293 12.4293 12.5203 12.5203 14.5041 14.5041 k =-0.0357 0.0356 0.0000 ( 2765 PWs) bands (ev): -46.1194 -46.1194 -22.8089 -22.8089 -22.1597 -22.1597 -22.1427 -22.1427 -14.3950 -14.3950 -6.5179 -6.5179 -5.8669 -5.8669 -5.8308 -5.8308 -0.9325 -0.9325 0.9773 0.9773 0.9883 0.9883 7.9206 7.9206 8.1244 8.1245 8.1531 8.1531 9.0582 9.0582 9.0936 9.0936 9.2311 9.2311 9.9243 9.9243 10.0429 10.0429 10.0967 10.0967 12.3583 12.3583 12.4389 12.4389 12.5364 12.5364 14.5128 14.5128 k =-0.0446 0.0445 0.0000 ( 2761 PWs) bands (ev): -46.1194 -46.1194 -22.8091 -22.8091 -22.1601 -22.1601 -22.1428 -22.1428 -14.3934 -14.3934 -6.5179 -6.5179 -5.8666 -5.8666 -5.8305 -5.8305 -0.9295 -0.9295 0.9787 0.9787 0.9940 0.9940 7.9101 7.9101 8.1091 8.1091 8.1473 8.1473 9.0300 9.0300 9.0776 9.0776 9.2313 9.2313 9.9030 9.9030 10.0259 10.0259 10.0848 10.0848 12.3759 12.3759 12.4512 12.4512 12.5567 12.5567 14.5238 14.5238 k =-0.0536 0.0534 0.0000 ( 2761 PWs) bands (ev): -46.1194 -46.1194 -22.8094 -22.8094 -22.1605 -22.1605 -22.1429 -22.1429 -14.3915 -14.3915 -6.5180 -6.5180 -5.8662 -5.8662 -5.8300 -5.8300 -0.9258 -0.9258 0.9801 0.9801 1.0011 1.0011 7.8964 7.8964 8.0912 8.0912 8.1403 8.1403 8.9964 8.9964 9.0584 9.0584 9.2317 9.2317 9.8759 9.8759 10.0067 10.0067 10.0709 10.0709 12.3969 12.3969 12.4660 12.4660 12.5810 12.5810 14.5369 14.5369 k =-0.0625 0.0624 0.0000 ( 2769 PWs) bands (ev): -46.1193 -46.1193 -22.8097 -22.8097 -22.1611 -22.1611 -22.1431 -22.1431 -14.3892 -14.3892 -6.5180 -6.5180 -5.8657 -5.8657 -5.8293 -5.8293 -0.9216 -0.9216 0.9818 0.9818 1.0093 1.0093 7.8793 7.8793 8.0712 8.0712 8.1321 8.1321 8.9579 8.9579 9.0363 9.0363 9.2323 9.2323 9.8429 9.8429 9.9860 9.9860 10.0553 10.0553 12.4213 12.4213 12.4833 12.4833 12.6089 12.6089 14.5521 14.5521 k =-0.0714 0.0713 0.0000 ( 2773 PWs) bands (ev): -46.1193 -46.1193 -22.8101 -22.8101 -22.1617 -22.1617 -22.1433 -22.1433 -14.3866 -14.3866 -6.5181 -6.5181 -5.8652 -5.8652 -5.8284 -5.8284 -0.9169 -0.9169 0.9835 0.9835 1.0187 1.0187 7.8583 7.8583 8.0497 8.0497 8.1229 8.1229 8.9152 8.9152 9.0114 9.0114 9.2332 9.2332 9.8042 9.8042 9.9643 9.9643 10.0381 10.0381 12.4488 12.4488 12.5031 12.5031 12.6401 12.6401 14.5691 14.5691 k =-0.0804 0.0802 0.0000 ( 2775 PWs) bands (ev): -46.1193 -46.1193 -22.8104 -22.8104 -22.1623 -22.1623 -22.1435 -22.1435 -14.3837 -14.3837 -6.5181 -6.5181 -5.8647 -5.8647 -5.8274 -5.8274 -0.9117 -0.9117 0.9855 0.9855 1.0290 1.0290 7.8331 7.8331 8.0272 8.0272 8.1125 8.1125 8.8688 8.8688 8.9840 8.9840 9.2344 9.2344 9.7601 9.7601 9.9417 9.9417 10.0197 10.0197 12.4791 12.4791 12.5253 12.5253 12.6742 12.6742 14.5878 14.5878 k =-0.0893 0.0891 0.0000 ( 2763 PWs) bands (ev): -46.1193 -46.1193 -22.8108 -22.8108 -22.1630 -22.1630 -22.1436 -22.1436 -14.3806 -14.3806 -6.5181 -6.5181 -5.8640 -5.8640 -5.8260 -5.8260 -0.9061 -0.9061 0.9876 0.9876 1.0402 1.0402 7.8034 7.8034 8.0039 8.0039 8.1013 8.1013 8.8190 8.8190 8.9542 8.9542 9.2360 9.2360 9.7113 9.7113 9.9185 9.9185 10.0001 10.0001 12.5119 12.5119 12.5498 12.5498 12.7109 12.7109 14.6080 14.6080 k =-0.0982 0.0980 0.0000 ( 2767 PWs) bands (ev): -46.1192 -46.1192 -22.8113 -22.8113 -22.1638 -22.1638 -22.1438 -22.1438 -14.3771 -14.3771 -6.5181 -6.5181 -5.8633 -5.8633 -5.8244 -5.8244 -0.9002 -0.9002 0.9900 0.9900 1.0521 1.0521 7.7693 7.7693 7.9801 7.9801 8.0893 8.0893 8.7664 8.7664 8.9223 8.9223 9.2380 9.2380 9.6586 9.6586 9.8947 9.8947 9.9797 9.9797 12.5468 12.5468 12.5767 12.5767 12.7499 12.7499 14.6295 14.6295 k =-0.1071 0.1069 0.0000 ( 2763 PWs) bands (ev): -46.1192 -46.1192 -22.8118 -22.8118 -22.1647 -22.1647 -22.1440 -22.1440 -14.3733 -14.3733 -6.5180 -6.5180 -5.8626 -5.8626 -5.8225 -5.8225 -0.8940 -0.8940 0.9925 0.9925 1.0646 1.0646 7.7309 7.7309 7.9556 7.9556 8.0766 8.0766 8.7114 8.7114 8.8886 8.8886 9.2405 9.2405 9.6027 9.6027 9.8702 9.8702 9.9588 9.9588 12.5833 12.5833 12.6063 12.6063 12.7908 12.7908 14.6522 14.6522 k =-0.1161 0.1158 0.0000 ( 2759 PWs) bands (ev): -46.1192 -46.1192 -22.8123 -22.8123 -22.1656 -22.1656 -22.1443 -22.1443 -14.3693 -14.3693 -6.5179 -6.5179 -5.8617 -5.8617 -5.8203 -5.8203 -0.8877 -0.8877 0.9951 0.9951 1.0775 1.0775 7.6889 7.6889 7.9302 7.9302 8.0634 8.0634 8.6541 8.6541 8.8531 8.8531 9.2435 9.2435 9.5445 9.5445 9.8451 9.8451 9.9376 9.9376 12.6204 12.6204 12.6390 12.6390 12.8333 12.8333 14.6757 14.6757 k =-0.1250 0.1247 0.0000 ( 2753 PWs) bands (ev): -46.1191 -46.1191 -22.8128 -22.8128 -22.1665 -22.1665 -22.1445 -22.1445 -14.3651 -14.3651 -6.5176 -6.5176 -5.8608 -5.8608 -5.8178 -5.8178 -0.8811 -0.8811 0.9980 0.9980 1.0907 1.0907 7.6435 7.6435 7.9036 7.9036 8.0498 8.0498 8.5950 8.5950 8.8162 8.8162 9.2470 9.2470 9.4847 9.4847 9.8192 9.8192 9.9167 9.9167 12.6570 12.6570 12.6757 12.6757 12.8773 12.8773 14.7001 14.7001 k =-0.1339 0.1336 0.0000 ( 2751 PWs) bands (ev): -46.1191 -46.1191 -22.8134 -22.8134 -22.1676 -22.1676 -22.1447 -22.1447 -14.3607 -14.3607 -6.5172 -6.5172 -5.8599 -5.8599 -5.8149 -5.8149 -0.8746 -0.8746 1.0009 1.0009 1.1040 1.1040 7.5955 7.5955 7.8756 7.8756 8.0359 8.0359 8.5341 8.5341 8.7781 8.7781 9.2511 9.2511 9.4241 9.4241 9.7926 9.7926 9.8963 9.8963 12.6930 12.6930 12.7161 12.7161 12.9224 12.9224 14.7250 14.7250 k =-0.1429 0.1425 0.0000 ( 2751 PWs) bands (ev): -46.1190 -46.1190 -22.8141 -22.8141 -22.1687 -22.1687 -22.1450 -22.1450 -14.3560 -14.3560 -6.5167 -6.5167 -5.8589 -5.8589 -5.8117 -5.8117 -0.8680 -0.8680 1.0041 1.0041 1.1172 1.1172 7.5452 7.5453 7.8460 7.8460 8.0218 8.0218 8.4716 8.4716 8.7390 8.7390 9.2557 9.2557 9.3635 9.3635 9.7650 9.7650 9.8770 9.8770 12.7293 12.7293 12.7588 12.7588 12.9685 12.9685 14.7504 14.7504 k =-0.1518 0.1514 0.0000 ( 2755 PWs) bands (ev): -46.1190 -46.1190 -22.8148 -22.8148 -22.1698 -22.1698 -22.1453 -22.1453 -14.3512 -14.3512 -6.5159 -6.5159 -5.8578 -5.8578 -5.8081 -5.8081 -0.8614 -0.8614 1.0073 1.0073 1.1302 1.1302 7.4934 7.4934 7.8146 7.8146 8.0076 8.0076 8.4075 8.4075 8.6990 8.6990 9.2606 9.2606 9.3039 9.3039 9.7364 9.7364 9.8591 9.8591 12.7665 12.7665 12.8031 12.8031 13.0154 13.0154 14.7761 14.7761 k =-0.1607 0.1603 0.0000 ( 2751 PWs) bands (ev): -46.1190 -46.1190 -22.8154 -22.8154 -22.1710 -22.1710 -22.1456 -22.1456 -14.3462 -14.3462 -6.5149 -6.5149 -5.8567 -5.8567 -5.8042 -5.8042 -0.8549 -0.8549 1.0106 1.0106 1.1429 1.1429 7.4403 7.4403 7.7813 7.7813 7.9933 7.9933 8.3420 8.3420 8.6584 8.6584 9.2442 9.2442 9.2678 9.2678 9.7067 9.7067 9.8430 9.8430 12.8047 12.8047 12.8485 12.8485 13.0630 13.0630 14.8019 14.8019 k =-0.1696 0.1693 0.0000 ( 2742 PWs) bands (ev): -46.1189 -46.1189 -22.8161 -22.8161 -22.1722 -22.1722 -22.1459 -22.1459 -14.3411 -14.3411 -6.5135 -6.5135 -5.8555 -5.8555 -5.8000 -5.8000 -0.8486 -0.8486 1.0140 1.0140 1.1550 1.1550 7.3865 7.3865 7.7462 7.7462 7.9789 7.9789 8.2751 8.2751 8.6173 8.6173 9.1887 9.1887 9.2735 9.2735 9.6758 9.6758 9.8289 9.8289 12.8439 12.8439 12.8946 12.8946 13.1111 13.1111 14.8277 14.8277 k =-0.1786 0.1782 0.0000 ( 2740 PWs) bands (ev): -46.1189 -46.1189 -22.8168 -22.8168 -22.1734 -22.1734 -22.1462 -22.1462 -14.3359 -14.3359 -6.5119 -6.5119 -5.8543 -5.8543 -5.7956 -5.7956 -0.8425 -0.8425 1.0174 1.0174 1.1665 1.1665 7.3322 7.3322 7.7093 7.7093 7.9643 7.9643 8.2069 8.2069 8.5759 8.5759 9.1355 9.1355 9.2802 9.2802 9.6438 9.6438 9.8172 9.8172 12.8840 12.8840 12.9411 12.9411 13.1596 13.1596 14.8534 14.8534 k =-0.1875 0.1871 0.0000 ( 2736 PWs) bands (ev): -46.1188 -46.1188 -22.8176 -22.8176 -22.1747 -22.1747 -22.1466 -22.1466 -14.3305 -14.3305 -6.5098 -6.5098 -5.8530 -5.8530 -5.7909 -5.7909 -0.8367 -0.8367 1.0208 1.0208 1.1772 1.1772 7.2779 7.2779 7.6707 7.6707 7.9493 7.9493 8.1378 8.1378 8.5344 8.5344 9.0857 9.0857 9.2873 9.2873 9.6108 9.6108 9.8079 9.8079 12.9250 12.9250 12.9879 12.9879 13.2083 13.2083 14.8789 14.8789 k =-0.1964 0.1960 0.0000 ( 2736 PWs) bands (ev): -46.1187 -46.1187 -22.8184 -22.8184 -22.1760 -22.1760 -22.1469 -22.1469 -14.3251 -14.3251 -6.5073 -6.5073 -5.8517 -5.8517 -5.7860 -5.7860 -0.8311 -0.8311 1.0243 1.0243 1.1870 1.1870 7.2238 7.2238 7.6306 7.6306 7.9330 7.9330 8.0684 8.0684 8.4929 8.4929 9.0400 9.0400 9.2948 9.2948 9.5768 9.5768 9.8011 9.8011 12.9668 12.9668 13.0348 13.0348 13.2573 13.2573 14.9041 14.9041 k =-0.2054 0.2049 0.0000 ( 2744 PWs) bands (ev): -46.1187 -46.1187 -22.8192 -22.8192 -22.1774 -22.1774 -22.1473 -22.1473 -14.3196 -14.3196 -6.5042 -6.5042 -5.8503 -5.8503 -5.7810 -5.7810 -0.8259 -0.8259 1.0276 1.0276 1.1958 1.1958 7.1701 7.1701 7.5892 7.5892 7.9132 7.9132 8.0014 8.0014 8.4514 8.4514 8.9987 8.9987 9.3026 9.3026 9.5420 9.5420 9.7967 9.7967 13.0091 13.0091 13.0816 13.0816 13.3063 13.3063 14.9289 14.9289 k =-0.2143 0.2138 0.0000 ( 2744 PWs) bands (ev): -46.1186 -46.1186 -22.8200 -22.8200 -22.1787 -22.1787 -22.1476 -22.1476 -14.3141 -14.3141 -6.5007 -6.5007 -5.8489 -5.8489 -5.7759 -5.7759 -0.8210 -0.8210 1.0309 1.0309 1.2035 1.2035 7.1171 7.1171 7.5465 7.5465 7.8801 7.8801 7.9465 7.9465 8.4103 8.4103 8.9622 8.9622 9.3105 9.3105 9.5067 9.5067 9.7949 9.7949 13.0520 13.0520 13.1282 13.1282 13.3554 13.3554 14.9532 14.9532 k =-0.2232 0.2227 0.0000 ( 2746 PWs) bands (ev): -46.1186 -46.1186 -22.8208 -22.8208 -22.1801 -22.1801 -22.1480 -22.1480 -14.3086 -14.3086 -6.4965 -6.4965 -5.8475 -5.8475 -5.7708 -5.7708 -0.8165 -0.8165 1.0340 1.0340 1.2102 1.2102 7.0648 7.0648 7.5029 7.5029 7.8223 7.8223 7.9154 7.9154 8.3695 8.3695 8.9308 8.9308 9.3184 9.3184 9.4710 9.4710 9.7955 9.7955 13.0953 13.0953 13.1743 13.1743 13.4043 13.4043 14.9769 14.9769 k =-0.2321 0.2316 0.0000 ( 2742 PWs) bands (ev): -46.1185 -46.1185 -22.8216 -22.8216 -22.1815 -22.1815 -22.1483 -22.1483 -14.3031 -14.3031 -6.4917 -6.4917 -5.8460 -5.8460 -5.7657 -5.7657 -0.8124 -0.8124 1.0368 1.0368 1.2158 1.2158 7.0136 7.0136 7.4585 7.4585 7.7517 7.7517 7.8965 7.8965 8.3292 8.3292 8.9047 8.9047 9.3260 9.3260 9.4353 9.4353 9.7985 9.7985 13.1388 13.1388 13.2200 13.2200 13.4532 13.4532 14.9999 14.9999 k =-0.2411 0.2405 0.0000 ( 2738 PWs) bands (ev): -46.1185 -46.1185 -22.8224 -22.8224 -22.1829 -22.1829 -22.1486 -22.1486 -14.2976 -14.2976 -6.4862 -6.4862 -5.8445 -5.8445 -5.7607 -5.7607 -0.8088 -0.8088 1.0394 1.0394 1.2203 1.2203 6.9633 6.9633 7.4136 7.4136 7.6772 7.6772 7.8810 7.8810 8.2894 8.2894 8.8840 8.8840 9.3323 9.3323 9.4006 9.4006 9.8037 9.8037 13.1824 13.1824 13.2650 13.2650 13.5017 13.5017 15.0223 15.0223 k =-0.2500 0.2494 0.0000 ( 2742 PWs) bands (ev): -46.1184 -46.1184 -22.8233 -22.8233 -22.1843 -22.1843 -22.1490 -22.1490 -14.2921 -14.2921 -6.4800 -6.4800 -5.8430 -5.8430 -5.7559 -5.7559 -0.8056 -0.8056 1.0417 1.0417 1.2238 1.2238 6.9142 6.9142 7.3683 7.3683 7.6013 7.6013 7.8668 7.8668 8.2503 8.2503 8.8688 8.8688 9.3325 9.3325 9.3719 9.3719 9.8112 9.8112 13.2260 13.2260 13.3093 13.3093 13.5500 13.5500 15.0439 15.0439 k =-0.2589 0.2583 0.0000 ( 2736 PWs) bands (ev): -46.1184 -46.1184 -22.8241 -22.8241 -22.1857 -22.1857 -22.1493 -22.1493 -14.2867 -14.2867 -6.4731 -6.4731 -5.8415 -5.8415 -5.7513 -5.7513 -0.8028 -0.8028 1.0434 1.0434 1.2263 1.2263 6.8663 6.8663 7.3228 7.3228 7.5249 7.5249 7.8533 7.8533 8.2120 8.2120 8.8590 8.8590 9.3122 9.3122 9.3637 9.3637 9.8206 9.8206 13.2695 13.2695 13.3527 13.3527 13.5978 13.5978 15.0647 15.0647 k =-0.2679 0.2672 0.0000 ( 2732 PWs) bands (ev): -46.1183 -46.1183 -22.8249 -22.8249 -22.1870 -22.1870 -22.1496 -22.1496 -14.2814 -14.2814 -6.4654 -6.4654 -5.8400 -5.8400 -5.7470 -5.7470 -0.8005 -0.8005 1.0446 1.0446 1.2281 1.2281 6.8196 6.8196 7.2773 7.2773 7.4485 7.4485 7.8403 7.8403 8.1745 8.1745 8.8545 8.8545 9.2792 9.2792 9.3683 9.3683 9.8319 9.8319 13.3127 13.3127 13.3952 13.3952 13.6451 13.6451 15.0847 15.0847 k =-0.2768 0.2762 0.0000 ( 2736 PWs) bands (ev): -46.1183 -46.1183 -22.8257 -22.8257 -22.1884 -22.1884 -22.1500 -22.1500 -14.2761 -14.2761 -6.4569 -6.4569 -5.8385 -5.8385 -5.7431 -5.7431 -0.7986 -0.7986 1.0452 1.0452 1.2292 1.2292 6.7741 6.7741 7.2320 7.2320 7.3727 7.3727 7.8276 7.8276 8.1379 8.1379 8.8552 8.8552 9.2437 9.2437 9.3755 9.3755 9.8449 9.8449 13.3556 13.3556 13.4366 13.4366 13.6917 13.6917 15.1037 15.1037 k =-0.2857 0.2851 0.0000 ( 2736 PWs) bands (ev): -46.1182 -46.1182 -22.8266 -22.8266 -22.1898 -22.1898 -22.1503 -22.1503 -14.2710 -14.2710 -6.4476 -6.4476 -5.8370 -5.8370 -5.7396 -5.7396 -0.7972 -0.7972 1.0450 1.0450 1.2298 1.2298 6.7298 6.7299 7.1871 7.1871 7.2976 7.2976 7.8153 7.8153 8.1023 8.1023 8.8609 8.8609 9.2079 9.2079 9.3833 9.3833 9.8593 9.8593 13.3980 13.3980 13.4770 13.4770 13.7377 13.7377 15.1219 15.1219 k =-0.2946 0.2940 0.0000 ( 2740 PWs) bands (ev): -46.1182 -46.1182 -22.8274 -22.8274 -22.1911 -22.1911 -22.1507 -22.1507 -14.2660 -14.2660 -6.4375 -6.4375 -5.8354 -5.8354 -5.7366 -5.7366 -0.7963 -0.7963 1.0440 1.0440 1.2300 1.2300 6.6869 6.6869 7.1427 7.1427 7.2238 7.2238 7.8033 7.8033 8.0677 8.0677 8.8713 8.8713 9.1723 9.1723 9.3914 9.3914 9.8751 9.8751 13.4397 13.4397 13.5161 13.5161 13.7828 13.7828 15.1391 15.1391 k =-0.3036 0.3029 0.0000 ( 2734 PWs) bands (ev): -46.1181 -46.1181 -22.8281 -22.8281 -22.1924 -22.1924 -22.1510 -22.1510 -14.2611 -14.2611 -6.4266 -6.4266 -5.8339 -5.8339 -5.7342 -5.7342 -0.7958 -0.7958 1.0421 1.0421 1.2301 1.2301 6.6452 6.6452 7.0988 7.0989 7.1517 7.1517 7.7916 7.7916 8.0343 8.0343 8.8862 8.8862 9.1371 9.1371 9.3996 9.3996 9.8920 9.8920 13.4807 13.4807 13.5540 13.5540 13.8271 13.8271 15.1554 15.1554 k =-0.3125 0.3118 0.0000 ( 2738 PWs) bands (ev): -46.1181 -46.1181 -22.8289 -22.8289 -22.1938 -22.1938 -22.1513 -22.1513 -14.2564 -14.2564 -6.4150 -6.4150 -5.8324 -5.8324 -5.7325 -5.7325 -0.7957 -0.7957 1.0392 1.0392 1.2302 1.2302 6.6047 6.6047 7.0552 7.0552 7.0820 7.0820 7.7802 7.7802 8.0020 8.0020 8.9052 8.9052 9.1025 9.1025 9.4078 9.4078 9.9099 9.9099 13.5208 13.5208 13.5906 13.5906 13.8702 13.8702 15.1708 15.1708 k =-0.3214 0.3207 0.0000 ( 2740 PWs) bands (ev): -46.1180 -46.1180 -22.8297 -22.8297 -22.1950 -22.1950 -22.1516 -22.1516 -14.2519 -14.2519 -6.4025 -6.4025 -5.8310 -5.8310 -5.7314 -5.7314 -0.7960 -0.7960 1.0353 1.0353 1.2304 1.2304 6.5656 6.5656 7.0058 7.0058 7.0210 7.0210 7.7692 7.7692 7.9709 7.9709 8.9280 8.9280 9.0688 9.0688 9.4160 9.4160 9.9284 9.9284 13.5600 13.5600 13.6258 13.6258 13.9122 13.9122 15.1851 15.1851 k =-0.3304 0.3296 0.0000 ( 2740 PWs) bands (ev): -46.1180 -46.1180 -22.8304 -22.8304 -22.1962 -22.1962 -22.1519 -22.1519 -14.2475 -14.2475 -6.3894 -6.3894 -5.8296 -5.8296 -5.7310 -5.7310 -0.7966 -0.7966 1.0305 1.0305 1.2308 1.2308 6.5276 6.5276 6.9430 6.9430 6.9770 6.9770 7.7585 7.7585 7.9410 7.9410 8.9540 8.9540 9.0361 9.0361 9.4241 9.4241 9.9475 9.9475 13.5980 13.5980 13.6596 13.6596 13.9530 13.9530 15.1985 15.1985 k =-0.3393 0.3385 0.0000 ( 2736 PWs) bands (ev): -46.1179 -46.1179 -22.8311 -22.8311 -22.1974 -22.1974 -22.1522 -22.1522 -14.2433 -14.2433 -6.3756 -6.3756 -5.8282 -5.8282 -5.7314 -5.7314 -0.7976 -0.7976 1.0248 1.0248 1.2316 1.2316 6.4910 6.4910 6.8797 6.8797 6.9372 6.9372 7.7482 7.7482 7.9124 7.9124 8.9816 8.9816 9.0056 9.0056 9.4322 9.4322 9.9669 9.9669 13.6349 13.6349 13.6920 13.6920 13.9924 13.9924 15.2110 15.2110 k =-0.3482 0.3474 0.0000 ( 2734 PWs) bands (ev): -46.1179 -46.1179 -22.8318 -22.8318 -22.1985 -22.1985 -22.1524 -22.1524 -14.2392 -14.2392 -6.3611 -6.3611 -5.8268 -5.8268 -5.7325 -5.7325 -0.7989 -0.7989 1.0183 1.0183 1.2326 1.2326 6.4556 6.4556 6.8188 6.8188 6.8994 6.8994 7.7383 7.7383 7.8852 7.8852 8.9718 8.9718 9.0162 9.0162 9.4403 9.4403 9.9864 9.9864 13.6704 13.6704 13.7228 13.7228 14.0302 14.0302 15.2225 15.2225 k =-0.3571 0.3563 0.0000 ( 2732 PWs) bands (ev): -46.1178 -46.1178 -22.8325 -22.8325 -22.1996 -22.1996 -22.1527 -22.1527 -14.2354 -14.2354 -6.3460 -6.3460 -5.8255 -5.8255 -5.7345 -5.7345 -0.8005 -0.8005 1.0112 1.0112 1.2340 1.2340 6.4214 6.4214 6.7607 6.7607 6.8632 6.8632 7.7288 7.7288 7.8594 7.8594 8.9428 8.9428 9.0492 9.0492 9.4483 9.4483 10.0060 10.0060 13.7045 13.7045 13.7521 13.7521 14.0665 14.0665 15.2330 15.2330 k =-0.3661 0.3652 0.0000 ( 2734 PWs) bands (ev): -46.1178 -46.1178 -22.8331 -22.8331 -22.2007 -22.2007 -22.1529 -22.1529 -14.2318 -14.2318 -6.3305 -6.3305 -5.8243 -5.8243 -5.7373 -5.7373 -0.8022 -0.8022 1.0035 1.0035 1.2356 1.2356 6.3884 6.3884 6.7058 6.7058 6.8288 6.8288 7.7198 7.7198 7.8349 7.8349 8.9147 8.9147 9.0840 9.0840 9.4562 9.4562 10.0253 10.0253 13.7370 13.7370 13.7799 13.7799 14.1011 14.1011 15.2427 15.2427 k =-0.3750 0.3741 0.0000 ( 2730 PWs) bands (ev): -46.1177 -46.1177 -22.8337 -22.8337 -22.2016 -22.2016 -22.1531 -22.1531 -14.2284 -14.2284 -6.3146 -6.3146 -5.8232 -5.8232 -5.7409 -5.7409 -0.8042 -0.8042 0.9955 0.9955 1.2375 1.2375 6.3568 6.3568 6.6543 6.6543 6.7961 6.7961 7.7111 7.7111 7.8119 7.8119 8.8879 8.8879 9.1198 9.1198 9.4641 9.4641 10.0442 10.0442 13.7678 13.7678 13.8060 13.8060 14.1338 14.1338 15.2514 15.2514 k =-0.3839 0.3831 0.0000 ( 2734 PWs) bands (ev): -46.1177 -46.1177 -22.8343 -22.8343 -22.2026 -22.2026 -22.1534 -22.1534 -14.2252 -14.2252 -6.2983 -6.2983 -5.8221 -5.8221 -5.7452 -5.7452 -0.8063 -0.8063 0.9873 0.9873 1.2396 1.2396 6.3264 6.3264 6.6063 6.6063 6.7653 6.7653 7.7030 7.7030 7.7904 7.7904 8.8626 8.8626 9.1559 9.1559 9.4720 9.4720 10.0626 10.0626 13.7969 13.7969 13.8306 13.8306 14.1647 14.1647 15.2593 15.2593 k =-0.3929 0.3920 0.0000 ( 2738 PWs) bands (ev): -46.1177 -46.1177 -22.8348 -22.8348 -22.2035 -22.2035 -22.1536 -22.1536 -14.2222 -14.2222 -6.2819 -6.2819 -5.8211 -5.8211 -5.7502 -5.7502 -0.8085 -0.8085 0.9791 0.9791 1.2418 1.2418 6.2973 6.2973 6.5620 6.5620 6.7365 6.7365 7.6953 7.6953 7.7704 7.7704 8.8388 8.8388 9.1917 9.1917 9.4799 9.4799 10.0803 10.0803 13.8240 13.8240 13.8536 13.8536 14.1935 14.1935 15.2664 15.2664 k =-0.4018 0.4009 0.0000 ( 2742 PWs) bands (ev): -46.1176 -46.1176 -22.8353 -22.8353 -22.2043 -22.2043 -22.1538 -22.1538 -14.2195 -14.2195 -6.2654 -6.2654 -5.8202 -5.8202 -5.7559 -5.7559 -0.8107 -0.8107 0.9710 0.9710 1.2441 1.2441 6.2696 6.2696 6.5215 6.5215 6.7096 6.7096 7.6881 7.6881 7.7518 7.7518 8.8167 8.8167 9.2266 9.2266 9.4878 9.4878 10.0971 10.0971 13.8491 13.8491 13.8751 13.8751 14.2202 14.2202 15.2726 15.2726 k =-0.4107 0.4098 0.0000 ( 2738 PWs) bands (ev): -46.1176 -46.1176 -22.8358 -22.8358 -22.2050 -22.2050 -22.1539 -22.1539 -14.2170 -14.2170 -6.2490 -6.2490 -5.8194 -5.8194 -5.7621 -5.7621 -0.8130 -0.8130 0.9632 0.9632 1.2463 1.2463 6.2434 6.2434 6.4849 6.4849 6.6849 6.6849 7.6815 7.6815 7.7349 7.7349 8.7963 8.7963 9.2600 9.2600 9.4959 9.4959 10.1130 10.1130 13.8720 13.8720 13.8950 13.8950 14.2448 14.2448 15.2782 15.2782 k =-0.4196 0.4187 0.0000 ( 2740 PWs) bands (ev): -46.1176 -46.1176 -22.8362 -22.8362 -22.2057 -22.2057 -22.1541 -22.1541 -14.2147 -14.2147 -6.2329 -6.2329 -5.8188 -5.8188 -5.7688 -5.7688 -0.8152 -0.8152 0.9558 0.9558 1.2485 1.2485 6.2189 6.2189 6.4521 6.4521 6.6624 6.6624 7.6754 7.6754 7.7195 7.7195 8.7776 8.7776 9.2913 9.2913 9.5041 9.5041 10.1277 10.1277 13.8927 13.8927 13.9135 13.9135 14.2672 14.2672 15.2830 15.2830 k =-0.4286 0.4276 0.0000 ( 2736 PWs) bands (ev): -46.1176 -46.1176 -22.8366 -22.8366 -22.2063 -22.2063 -22.1542 -22.1542 -14.2127 -14.2127 -6.2172 -6.2172 -5.8183 -5.8183 -5.7756 -5.7756 -0.8172 -0.8172 0.9488 0.9488 1.2507 1.2507 6.1962 6.1962 6.4232 6.4232 6.6421 6.6421 7.6699 7.6699 7.7056 7.7056 8.7608 8.7608 9.3199 9.3199 9.5125 9.5125 10.1412 10.1412 13.9110 13.9110 13.9304 13.9304 14.2873 14.2873 15.2871 15.2871 k =-0.4375 0.4365 0.0000 ( 2734 PWs) bands (ev): -46.1175 -46.1175 -22.8369 -22.8369 -22.2069 -22.2069 -22.1543 -22.1543 -14.2109 -14.2109 -6.2023 -6.2023 -5.8181 -5.8181 -5.7825 -5.7825 -0.8192 -0.8192 0.9425 0.9425 1.2526 1.2526 6.1755 6.1755 6.3981 6.3981 6.6240 6.6240 7.6650 7.6650 7.6934 7.6934 8.7458 8.7458 9.3452 9.3452 9.5211 9.5211 10.1534 10.1534 13.9268 13.9268 13.9458 13.9458 14.3050 14.3050 15.2907 15.2907 k =-0.4464 0.4454 0.0000 ( 2736 PWs) bands (ev): -46.1175 -46.1175 -22.8372 -22.8372 -22.2074 -22.2074 -22.1545 -22.1545 -14.2093 -14.2093 -6.1884 -6.1884 -5.8182 -5.8182 -5.7890 -5.7890 -0.8210 -0.8210 0.9368 0.9368 1.2544 1.2544 6.1570 6.1570 6.3766 6.3766 6.6083 6.6083 7.6607 7.6607 7.6827 7.6827 8.7328 8.7328 9.3670 9.3670 9.5298 9.5298 10.1642 10.1642 13.9403 13.9403 13.9595 13.9595 14.3205 14.3205 15.2936 15.2936 k =-0.4554 0.4543 0.0000 ( 2732 PWs) bands (ev): -46.1175 -46.1175 -22.8374 -22.8374 -22.2078 -22.2078 -22.1545 -22.1545 -14.2080 -14.2080 -6.1758 -6.1758 -5.8188 -5.8188 -5.7948 -5.7948 -0.8225 -0.8225 0.9319 0.9319 1.2560 1.2560 6.1410 6.1410 6.3586 6.3586 6.5949 6.5949 7.6571 7.6571 7.6737 7.6737 8.7217 8.7217 9.3850 9.3850 9.5385 9.5385 10.1735 10.1735 13.9516 13.9516 13.9714 13.9714 14.3335 14.3335 15.2960 15.2960 k =-0.4643 0.4632 0.0000 ( 2726 PWs) bands (ev): -46.1175 -46.1175 -22.8376 -22.8376 -22.2081 -22.2081 -22.1546 -22.1546 -14.2069 -14.2069 -6.1648 -6.1648 -5.8200 -5.8200 -5.7995 -5.7995 -0.8238 -0.8238 0.9279 0.9279 1.2573 1.2573 6.1276 6.1276 6.3441 6.3441 6.5839 6.5839 7.6540 7.6540 7.6663 7.6663 8.7125 8.7125 9.3992 9.3992 9.5466 9.5466 10.1811 10.1811 13.9606 13.9606 13.9813 13.9813 14.3443 14.3443 15.2980 15.2980 k =-0.4732 0.4721 0.0000 ( 2726 PWs) bands (ev): -46.1175 -46.1175 -22.8378 -22.8378 -22.2083 -22.2083 -22.1547 -22.1547 -14.2060 -14.2060 -6.1557 -6.1557 -5.8217 -5.8217 -5.8028 -5.8028 -0.8249 -0.8249 0.9246 0.9246 1.2584 1.2584 6.1169 6.1169 6.3330 6.3330 6.5753 6.5753 7.6516 7.6516 7.6606 7.6606 8.7054 8.7054 9.4098 9.4098 9.5536 9.5536 10.1872 10.1872 13.9676 13.9676 13.9891 13.9891 14.3526 14.3526 15.2994 15.2994 k =-0.4821 0.4810 0.0000 ( 2716 PWs) bands (ev): -46.1175 -46.1175 -22.8378 -22.8378 -22.2085 -22.2085 -22.1547 -22.1547 -14.2054 -14.2054 -6.1489 -6.1489 -5.8236 -5.8236 -5.8047 -5.8047 -0.8257 -0.8257 0.9223 0.9223 1.2592 1.2592 6.1092 6.1092 6.3251 6.3251 6.5692 6.5692 7.6499 7.6499 7.6565 7.6565 8.7003 8.7003 9.4172 9.4172 9.5591 9.5591 10.1915 10.1915 13.9726 13.9726 13.9948 13.9948 14.3585 14.3585 15.3005 15.3005 k =-0.4911 0.4899 0.0000 ( 2724 PWs) bands (ev): -46.1175 -46.1175 -22.8379 -22.8379 -22.2086 -22.2086 -22.1547 -22.1547 -14.2050 -14.2050 -6.1448 -6.1448 -5.8251 -5.8251 -5.8057 -5.8057 -0.8261 -0.8261 0.9209 0.9209 1.2596 1.2596 6.1046 6.1046 6.3203 6.3203 6.5655 6.5655 7.6489 7.6489 7.6541 7.6541 8.6973 8.6973 9.4214 9.4214 9.5626 9.5626 10.1941 10.1941 13.9755 13.9755 13.9982 13.9982 14.3621 14.3621 15.3011 15.3011 k =-0.5000 0.4989 0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1433 -6.1433 -5.8256 -5.8256 -5.8060 -5.8060 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1030 6.3188 6.3188 6.5642 6.5642 7.6485 7.6485 7.6533 7.6533 8.6962 8.6962 9.4228 9.4228 9.5638 9.5638 10.1950 10.1950 13.9765 13.9765 13.9993 13.9993 14.3633 14.3633 15.3013 15.3013 k =-0.5000 0.4989 0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1433 -6.1433 -5.8256 -5.8256 -5.8060 -5.8060 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1030 6.3188 6.3188 6.5642 6.5642 7.6485 7.6485 7.6533 7.6533 8.6962 8.6962 9.4228 9.4228 9.5638 9.5638 10.1950 10.1950 13.9765 13.9765 13.9993 13.9993 14.3633 14.3633 15.3013 15.3013 k =-0.4989 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1434 -6.1433 -5.8258 -5.8253 -5.8062 -5.8058 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1031 6.3187 6.3188 6.5642 6.5643 7.6483 7.6487 7.6531 7.6535 8.6962 8.6963 9.4225 9.4231 9.5634 9.5642 10.1949 10.1950 13.9765 13.9765 13.9993 13.9993 14.3632 14.3633 15.3013 15.3013 k =-0.4989 0.5000-0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1434 -6.1433 -5.8258 -5.8253 -5.8062 -5.8058 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1031 6.3187 6.3188 6.5642 6.5643 7.6483 7.6487 7.6531 7.6535 8.6962 8.6963 9.4225 9.4231 9.5634 9.5642 10.1949 10.1950 13.9765 13.9765 13.9993 13.9993 14.3632 14.3633 15.3013 15.3013 k =-0.4989 0.5000 0.0126 ( 2726 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8379 -22.2087 -22.2087 -22.1548 -22.1547 -14.2048 -14.2048 -6.1426 -6.1425 -5.8256 -5.8250 -5.8060 -5.8056 -0.8290 -0.8258 0.9192 0.9192 1.2555 1.2598 6.1029 6.1033 6.3214 6.3221 6.5643 6.5643 7.6485 7.6496 7.6541 7.6546 8.6915 8.6918 9.4236 9.4243 9.5641 9.5649 10.1951 10.1951 13.9769 13.9777 13.9997 13.9999 14.3636 14.3637 15.3061 15.3071 k =-0.4989 0.5000 0.0251 ( 2734 PWs) bands (ev): -46.1175 -46.1175 -22.8381 -22.8380 -22.2087 -22.2087 -22.1551 -22.1549 -14.2045 -14.2045 -6.1403 -6.1400 -5.8249 -5.8241 -5.8053 -5.8049 -0.8338 -0.8274 0.9155 0.9156 1.2470 1.2555 6.1028 6.1036 6.3300 6.3313 6.5643 6.5643 7.6497 7.6518 7.6570 7.6578 8.6777 8.6783 9.4269 9.4278 9.5660 9.5669 10.1954 10.1955 13.9787 13.9805 14.0010 14.0014 14.3647 14.3649 15.3216 15.3235 k =-0.4989 0.5000 0.0377 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8383 -22.8381 -22.2087 -22.2086 -22.1554 -22.1552 -14.2040 -14.2040 -6.1363 -6.1359 -5.8236 -5.8225 -5.8041 -5.8037 -0.8408 -0.8311 0.9094 0.9095 1.2343 1.2470 6.1029 6.1039 6.3443 6.3462 6.5643 6.5644 7.6516 7.6548 7.6623 7.6633 8.6550 8.6560 9.4324 9.4335 9.5691 9.5702 10.1959 10.1960 13.9821 13.9849 14.0037 14.0040 14.3665 14.3668 15.3473 15.3502 k =-0.4989 0.5000 0.0503 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8384 -22.8382 -22.2086 -22.2086 -22.1559 -22.1556 -14.2033 -14.2033 -6.1307 -6.1302 -5.8218 -5.8205 -5.8025 -5.8021 -0.8498 -0.8370 0.9009 0.9010 1.2177 1.2344 6.1030 6.1042 6.3644 6.3669 6.5644 6.5645 7.6542 7.6584 7.6698 7.6709 8.6241 8.6252 9.4401 9.4414 9.5736 9.5749 10.1966 10.1967 13.9867 13.9907 14.0077 14.0078 14.3691 14.3695 15.3830 15.3866 k =-0.4989 0.5000 0.0629 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8386 -22.8383 -22.2086 -22.2086 -22.1565 -22.1561 -14.2023 -14.2023 -6.1236 -6.1229 -5.8195 -5.8178 -5.8005 -5.8000 -0.8608 -0.8450 0.8901 0.8903 1.1973 1.2179 6.1031 6.1045 6.3899 6.3928 6.5645 6.5646 7.6574 7.6627 7.6793 7.6806 8.5852 8.5865 9.4498 9.4514 9.5794 9.5808 10.1976 10.1977 13.9924 13.9978 14.0129 14.0136 14.3724 14.3728 15.4279 15.4322 k =-0.4989 0.5000 0.0754 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8389 -22.8385 -22.2086 -22.2085 -22.1571 -22.1567 -14.2012 -14.2012 -6.1150 -6.1142 -5.8167 -5.8147 -5.7980 -5.7975 -0.8737 -0.8550 0.8771 0.8773 1.1734 1.1977 6.1033 6.1048 6.4206 6.4239 6.5646 6.5648 7.6612 7.6675 7.6907 7.6922 8.5392 8.5406 9.4616 9.4635 9.5866 9.5881 10.1987 10.1988 13.9992 14.0059 14.0200 14.0214 14.3763 14.3769 15.4814 15.4863 k =-0.4989 0.5000 0.0880 ( 2734 PWs) bands (ev): -46.1174 -46.1174 -22.8391 -22.8387 -22.2085 -22.2085 -22.1579 -22.1574 -14.1999 -14.1999 -6.1049 -6.1039 -5.8133 -5.8110 -5.7951 -5.7945 -0.8885 -0.8669 0.8620 0.8622 1.1462 1.1739 6.1035 6.1051 6.4562 6.4597 6.5648 6.5651 7.6654 7.6729 7.7037 7.7053 8.4868 8.4883 9.4755 9.4776 9.5951 9.5967 10.2000 10.2001 14.0071 14.0148 14.0292 14.0313 14.3810 14.3816 15.5426 15.5480 k =-0.4989 0.5000 0.1006 ( 2748 PWs) bands (ev): -46.1174 -46.1174 -22.8395 -22.8390 -22.2084 -22.2084 -22.1588 -22.1582 -14.1984 -14.1984 -6.0933 -6.0922 -5.8095 -5.8069 -5.7918 -5.7912 -0.9050 -0.8807 0.8449 0.8452 1.1160 1.1470 6.1037 6.1053 6.4964 6.4996 6.5650 6.5657 7.6698 7.6785 7.7179 7.7198 8.4288 8.4302 9.4914 9.4938 9.6051 9.6067 10.2016 10.2017 14.0161 14.0244 14.0408 14.0430 14.3863 14.3870 15.6108 15.6165 k =-0.4989 0.5000 0.1132 ( 2750 PWs) bands (ev): -46.1173 -46.1173 -22.8398 -22.8392 -22.2084 -22.2084 -22.1598 -22.1591 -14.1968 -14.1967 -6.0804 -6.0792 -5.8052 -5.8023 -5.7880 -5.7874 -0.9231 -0.8962 0.8259 0.8262 1.0832 1.1171 6.1038 6.1054 6.5406 6.5420 6.5653 6.5679 7.6742 7.6842 7.7332 7.7353 8.3663 8.3675 9.5092 9.5119 9.6165 9.6181 10.2033 10.2033 14.0265 14.0349 14.0544 14.0566 14.3923 14.3930 15.6850 15.6909 k =-0.4989 0.5000 0.1257 ( 2744 PWs) bands (ev): -46.1173 -46.1173 -22.8401 -22.8395 -22.2083 -22.2083 -22.1608 -22.1601 -14.1949 -14.1949 -6.0662 -6.0648 -5.8004 -5.7972 -5.7840 -5.7833 -0.9426 -0.9134 0.8052 0.8056 1.0481 1.0846 6.1039 6.1055 6.5626 6.5651 6.5893 6.5953 7.6783 7.6896 7.7489 7.7514 8.3003 8.3012 9.5291 9.5320 9.6294 9.6310 10.2051 10.2052 14.0383 14.0467 14.0698 14.0719 14.3988 14.3996 15.7644 15.7704 k =-0.4989 0.5000 0.1383 ( 2739 PWs) bands (ev): -46.1173 -46.1173 -22.8405 -22.8398 -22.2082 -22.2082 -22.1619 -22.1611 -14.1929 -14.1929 -6.0508 -6.0493 -5.7952 -5.7917 -5.7795 -5.7788 -0.9636 -0.9322 0.7830 0.7834 1.0109 1.0498 6.1039 6.1055 6.5643 6.5655 6.6406 6.6447 7.6816 7.6943 7.7647 7.7676 8.2322 8.2328 9.5508 9.5540 9.6439 9.6455 10.2072 10.2072 14.0515 14.0598 14.0868 14.0887 14.4059 14.4067 15.8480 15.8541 k =-0.4989 0.5000 0.1509 ( 2736 PWs) bands (ev): -46.1172 -46.1172 -22.8408 -22.8402 -22.2081 -22.2081 -22.1631 -22.1623 -14.1908 -14.1908 -6.0342 -6.0326 -5.7896 -5.7859 -5.7747 -5.7740 -0.9857 -0.9523 0.7593 0.7598 0.9721 1.0131 6.1038 6.1053 6.5650 6.5658 6.6949 6.6979 7.6833 7.6973 7.7796 7.7832 8.1638 8.1644 9.5745 9.5779 9.6600 9.6615 10.2094 10.2094 14.0663 14.0743 14.1052 14.1070 14.4134 14.4143 15.9350 15.9411 k =-0.4989 0.5000 0.1634 ( 2732 PWs) bands (ev): -46.1172 -46.1172 -22.8413 -22.8405 -22.2080 -22.2080 -22.1643 -22.1634 -14.1886 -14.1886 -6.0166 -6.0148 -5.7836 -5.7796 -5.7696 -5.7689 -1.0090 -0.9738 0.7344 0.7350 0.9319 0.9747 6.1035 6.1050 6.5654 6.5662 6.7516 6.7534 7.6822 7.6971 7.7928 7.7970 8.0976 8.0993 9.6000 9.6036 9.6778 9.6793 10.2117 10.2117 14.0825 14.0902 14.1249 14.1265 14.4215 14.4223 16.0244 16.0305 k =-0.4989 0.5000 0.1760 ( 2732 PWs) bands (ev): -46.1172 -46.1172 -22.8417 -22.8409 -22.2079 -22.2079 -22.1656 -22.1647 -14.1862 -14.1862 -5.9980 -5.9960 -5.7774 -5.7730 -5.7643 -5.7635 -1.0331 -0.9963 0.7084 0.7091 0.8907 0.9349 6.1030 6.1044 6.5659 6.5665 6.8101 6.8106 7.6757 7.6907 7.8027 7.8075 8.0385 8.0421 9.6274 9.6310 9.6973 9.6987 10.2141 10.2142 14.1001 14.1075 14.1458 14.1472 14.4299 14.4307 16.1154 16.1215 k =-0.4989 0.5000 0.1886 ( 2728 PWs) bands (ev): -46.1171 -46.1171 -22.8421 -22.8414 -22.2078 -22.2078 -22.1670 -22.1660 -14.1838 -14.1838 -5.9786 -5.9765 -5.7708 -5.7662 -5.7586 -5.7579 -1.0580 -1.0199 0.6815 0.6823 0.8488 0.8942 6.1023 6.1036 6.5663 6.5669 6.8690 6.8701 7.6597 7.6731 7.8081 7.8125 7.9931 7.9990 9.6564 9.6602 9.7185 9.7199 10.2166 10.2167 14.1190 14.1261 14.1677 14.1690 14.4387 14.4395 16.2071 16.2131 k =-0.4989 0.5000 0.2012 ( 2726 PWs) bands (ev): -46.1171 -46.1171 -22.8426 -22.8418 -22.2077 -22.2077 -22.1683 -22.1674 -14.1812 -14.1812 -5.9585 -5.9561 -5.7640 -5.7591 -5.7528 -5.7520 -1.0835 -1.0442 0.6540 0.6548 0.8065 0.8527 6.1013 6.1025 6.5667 6.5673 6.9280 6.9310 7.6292 7.6392 7.8087 7.8128 7.9675 7.9749 9.6870 9.6909 9.7414 9.7428 10.2192 10.2194 14.1391 14.1459 14.1905 14.1917 14.4478 14.4486 16.2985 16.3045 k =-0.4989 0.5000 0.2137 ( 2730 PWs) bands (ev): -46.1171 -46.1171 -22.8431 -22.8423 -22.2076 -22.2076 -22.1698 -22.1688 -14.1786 -14.1786 -5.9377 -5.9352 -5.7570 -5.7517 -5.7467 -5.7459 -1.1094 -1.0693 0.6258 0.6268 0.7641 0.8108 6.0998 6.1010 6.5672 6.5677 6.9870 6.9922 7.5819 7.5884 7.8060 7.8141 7.9603 7.9677 9.7191 9.7230 9.7660 9.7674 10.2219 10.2221 14.1604 14.1667 14.2142 14.2152 14.4571 14.4580 16.3887 16.3948 k =-0.4989 0.5000 0.2263 ( 2738 PWs) bands (ev): -46.1170 -46.1170 -22.8436 -22.8428 -22.2075 -22.2075 -22.1713 -22.1702 -14.1760 -14.1760 -5.9165 -5.9137 -5.7499 -5.7442 -5.7404 -5.7397 -1.1356 -1.0949 0.5974 0.5985 0.7219 0.7687 6.0980 6.0991 6.5676 6.5681 7.0456 7.0532 7.5214 7.5254 7.8046 7.8178 7.9643 7.9710 9.7525 9.7563 9.7923 9.7936 10.2246 10.2250 14.1825 14.1886 14.2385 14.2394 14.4666 14.4675 16.4767 16.4829 k =-0.4989 0.5000 0.2389 ( 2732 PWs) bands (ev): -46.1170 -46.1170 -22.8441 -22.8432 -22.2074 -22.2074 -22.1727 -22.1717 -14.1733 -14.1733 -5.8948 -5.8918 -5.7426 -5.7366 -5.7339 -5.7333 -1.1619 -1.1208 0.5687 0.5700 0.6800 0.7268 6.0956 6.0967 6.5681 6.5685 7.1029 7.1133 7.4532 7.4557 7.8061 7.8239 7.9738 7.9798 9.7871 9.7908 9.8201 9.8214 10.2274 10.2278 14.2055 14.2113 14.2633 14.2642 14.4762 14.4771 16.5615 16.5680 k =-0.4989 0.5000 0.2515 ( 2734 PWs) bands (ev): -46.1169 -46.1169 -22.8446 -22.8438 -22.2073 -22.2073 -22.1742 -22.1731 -14.1706 -14.1706 -5.8730 -5.8697 -5.7354 -5.7289 -5.7273 -5.7268 -1.1881 -1.1469 0.5400 0.5415 0.6388 0.6852 6.0927 6.0937 6.5686 6.5690 7.1580 7.1716 7.3817 7.3838 7.8102 7.8319 7.9857 7.9910 9.8226 9.8262 9.8492 9.8506 10.2302 10.2307 14.2292 14.2346 14.2887 14.2895 14.4859 14.4869 16.6420 16.6489 k =-0.4989 0.5000 0.2640 ( 2732 PWs) bands (ev): -46.1169 -46.1169 -22.8451 -22.8442 -22.2072 -22.2072 -22.1756 -22.1745 -14.1679 -14.1678 -5.8511 -5.8475 -5.7283 -5.7211 -5.7205 -5.7201 -1.2142 -1.1731 0.5115 0.5132 0.5985 0.6441 6.0890 6.0900 6.5691 6.5695 7.2068 7.2245 7.3128 7.3154 7.8162 7.8414 7.9984 8.0032 9.8588 9.8623 9.8796 9.8811 10.2331 10.2337 14.2534 14.2585 14.3143 14.3150 14.4956 14.4966 16.7169 16.7246 k =-0.4989 0.5000 0.2766 ( 2734 PWs) bands (ev): -46.1168 -46.1168 -22.8456 -22.8448 -22.2071 -22.2071 -22.1770 -22.1760 -14.1651 -14.1651 -5.8293 -5.8253 -5.7213 -5.7139 -5.7136 -5.7130 -1.2398 -1.1991 0.4832 0.4852 0.5593 0.6039 6.0846 6.0855 6.5695 6.5699 7.2124 7.2215 7.2887 7.2979 7.8241 7.8524 8.0110 8.0155 9.8954 9.8989 9.9111 9.9127 10.2359 10.2366 14.2780 14.2828 14.3400 14.3407 14.5053 14.5063 16.7851 16.7939 k =-0.4989 0.5000 0.2892 ( 2736 PWs) bands (ev): -46.1168 -46.1168 -22.8461 -22.8453 -22.2070 -22.2070 -22.1784 -22.1774 -14.1625 -14.1625 -5.8077 -5.8033 -5.7144 -5.7071 -5.7063 -5.7054 -1.2649 -1.2249 0.4554 0.4577 0.5214 0.5646 6.0793 6.0801 6.5700 6.5704 7.1526 7.1562 7.3264 7.3443 7.8336 7.8647 8.0232 8.0275 9.9323 9.9356 9.9434 9.9452 10.2387 10.2396 14.3028 14.3074 14.3658 14.3664 14.5148 14.5158 16.8455 16.8558 k =-0.4989 0.5000 0.3017 ( 2738 PWs) bands (ev): -46.1168 -46.1168 -22.8466 -22.8458 -22.2070 -22.2069 -22.1798 -22.1788 -14.1598 -14.1598 -5.7866 -5.7816 -5.7079 -5.7004 -5.6991 -5.6978 -1.2894 -1.2502 0.4282 0.4309 0.4851 0.5266 6.0730 6.0738 6.5705 6.5709 7.0861 7.0885 7.3702 7.3921 7.8449 7.8785 8.0348 8.0388 9.9689 9.9722 9.9765 9.9784 10.2414 10.2425 14.3276 14.3320 14.3914 14.3920 14.5242 14.5252 16.8972 16.9095 k =-0.4989 0.5000 0.3143 ( 2746 PWs) bands (ev): -46.1167 -46.1167 -22.8471 -22.8463 -22.2069 -22.2069 -22.1812 -22.1802 -14.1573 -14.1573 -5.7662 -5.7604 -5.7015 -5.6936 -5.6918 -5.6902 -1.3130 -1.2750 0.4017 0.4049 0.4504 0.4899 6.0657 6.0664 6.5710 6.5714 7.0214 7.0234 7.4118 7.4366 7.8582 7.8938 8.0455 8.0494 10.0050 10.0076 10.0106 10.0123 10.2441 10.2454 14.3522 14.3564 14.4168 14.4174 14.5333 14.5344 16.9397 16.9542 k =-0.4989 0.5000 0.3269 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8476 -22.8468 -22.2068 -22.2068 -22.1825 -22.1816 -14.1548 -14.1548 -5.7467 -5.7398 -5.6954 -5.6867 -5.6846 -5.6828 -1.3357 -1.2990 0.3760 0.3798 0.4176 0.4547 6.0573 6.0579 6.5715 6.5718 6.9602 6.9619 7.4499 7.4768 7.8737 7.9105 8.0554 8.0591 10.0400 10.0412 10.0459 10.0467 10.2467 10.2482 14.3766 14.3806 14.4417 14.4423 14.5421 14.5433 16.9729 16.9902 k =-0.4989 0.5000 0.3395 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8480 -22.8473 -22.2067 -22.2067 -22.1837 -22.1828 -14.1524 -14.1524 -5.7286 -5.7201 -5.6896 -5.6796 -5.6773 -5.6753 -1.3573 -1.3221 0.3513 0.3559 0.3869 0.4212 6.0477 6.0482 6.5720 6.5723 6.9031 6.9047 7.4840 7.5121 7.8914 7.9286 8.0643 8.0680 10.0738 10.0740 10.0808 10.0811 10.2493 10.2511 14.4005 14.4044 14.4660 14.4666 14.5506 14.5518 16.9975 17.0177 k =-0.4989 0.5000 0.3520 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8485 -22.8478 -22.2066 -22.2066 -22.1849 -22.1841 -14.1501 -14.1501 -5.7123 -5.7016 -5.6841 -5.6723 -5.6700 -5.6675 -1.3776 -1.3443 0.3275 0.3331 0.3584 0.3896 6.0371 6.0375 6.5724 6.5727 6.8507 6.8521 7.5139 7.5424 7.9112 7.9478 8.0723 8.0760 10.1059 10.1065 10.1146 10.1148 10.2517 10.2539 14.4237 14.4275 14.4896 14.4901 14.5587 14.5600 17.0146 17.0377 k =-0.4989 0.5000 0.3646 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8488 -22.8482 -22.2065 -22.2065 -22.1860 -22.1852 -14.1480 -14.1480 -5.6985 -5.6850 -5.6787 -5.6654 -5.6621 -5.6586 -1.3967 -1.3653 0.3048 0.3116 0.3323 0.3599 6.0254 6.0258 6.5729 6.5731 6.8031 6.8044 7.5397 7.5677 7.9328 7.9679 8.0794 8.0832 10.1366 10.1380 10.1471 10.1473 10.2541 10.2568 14.4460 14.4498 14.5122 14.5127 14.5663 14.5678 17.0255 17.0514 k =-0.4989 0.5000 0.3772 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8492 -22.8486 -22.2065 -22.2064 -22.1870 -22.1863 -14.1459 -14.1459 -5.6874 -5.6746 -5.6702 -5.6591 -5.6529 -5.6482 -1.4143 -1.3851 0.2834 0.2915 0.3087 0.3324 6.0129 6.0132 6.5733 6.5735 6.7606 6.7617 7.5618 7.5884 7.9555 7.9883 8.0857 8.0895 10.1658 10.1679 10.1779 10.1782 10.2564 10.2599 14.4674 14.4711 14.5336 14.5341 14.5735 14.5751 17.0316 17.0600 k =-0.4989 0.5000 0.3898 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8496 -22.8490 -22.2064 -22.2064 -22.1880 -22.1873 -14.1441 -14.1441 -5.6788 -5.6699 -5.6602 -5.6534 -5.6414 -5.6366 -1.4303 -1.4035 0.2634 0.2729 0.2875 0.3071 5.9999 6.0001 6.5736 6.5739 6.7231 6.7241 7.5804 7.6051 7.9789 8.0085 8.0912 8.0952 10.1929 10.1962 10.2064 10.2069 10.2587 10.2633 14.4875 14.4911 14.5537 14.5541 14.5803 14.5820 17.0344 17.0648 k =-0.4989 0.5000 0.4023 ( 2750 PWs) bands (ev): -46.1165 -46.1165 -22.8498 -22.8493 -22.2063 -22.2063 -22.1888 -22.1881 -14.1424 -14.1424 -5.6721 -5.6658 -5.6530 -5.6482 -5.6288 -5.6248 -1.4447 -1.4205 0.2450 0.2557 0.2687 0.2843 5.9866 5.9867 6.5740 6.5742 6.6906 6.6914 7.5959 7.6182 8.0019 8.0280 8.0959 8.1001 10.2171 10.2223 10.2324 10.2329 10.2615 10.2680 14.5062 14.5098 14.5718 14.5722 14.5868 14.5887 17.0350 17.0663 k =-0.4989 0.5000 0.4149 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8501 -22.8497 -22.2063 -22.2063 -22.1895 -22.1890 -14.1408 -14.1408 -5.6667 -5.6621 -5.6473 -5.6437 -5.6166 -5.6134 -1.4575 -1.4359 0.2285 0.2401 0.2523 0.2640 5.9734 5.9735 6.5743 6.5745 6.6628 6.6635 7.6087 7.6283 8.0241 8.0462 8.0999 8.1044 10.2366 10.2457 10.2532 10.2551 10.2678 10.2755 14.5233 14.5268 14.5861 14.5869 14.5949 14.5965 17.0345 17.0645 k =-0.4989 0.5000 0.4275 ( 2758 PWs) bands (ev): -46.1165 -46.1165 -22.8504 -22.8500 -22.2063 -22.2062 -22.1902 -22.1897 -14.1395 -14.1395 -5.6624 -5.6589 -5.6426 -5.6397 -5.6055 -5.6030 -1.4684 -1.4497 0.2140 0.2260 0.2382 0.2464 5.9608 5.9609 6.5746 6.5747 6.6395 6.6401 7.6192 7.6361 8.0446 8.0625 8.1032 8.1081 10.2493 10.2585 10.2690 10.2742 10.2837 10.2882 14.5386 14.5421 14.5936 14.5953 14.6074 14.6082 17.0338 17.0574 k =-0.4989 0.5000 0.4400 ( 2762 PWs) bands (ev): -46.1165 -46.1165 -22.8506 -22.8502 -22.2062 -22.2062 -22.1908 -22.1904 -14.1383 -14.1383 -5.6588 -5.6562 -5.6387 -5.6364 -5.5958 -5.5939 -1.4775 -1.4617 0.2019 0.2134 0.2262 0.2317 5.9493 5.9493 6.5748 6.5749 6.6204 6.6209 7.6278 7.6418 8.0631 8.0766 8.1059 8.1114 10.2558 10.2613 10.2870 10.2907 10.3013 10.3036 14.5520 14.5553 14.5982 14.6002 14.6201 14.6206 17.0338 17.0418 k =-0.4989 0.5000 0.4526 ( 2768 PWs) bands (ev): -46.1165 -46.1165 -22.8507 -22.8505 -22.2062 -22.2062 -22.1913 -22.1909 -14.1374 -14.1374 -5.6559 -5.6540 -5.6354 -5.6336 -5.5876 -5.5862 -1.4847 -1.4719 0.1921 0.2023 0.2164 0.2200 5.9391 5.9392 6.5750 6.5751 6.6053 6.6057 7.6347 7.6459 8.0792 8.0881 8.1080 8.1142 10.2593 10.2627 10.3024 10.3049 10.3165 10.3178 14.5633 14.5664 14.6017 14.6037 14.6310 14.6314 17.0206 17.0352 k =-0.4989 0.5000 0.4652 ( 2776 PWs) bands (ev): -46.1164 -46.1164 -22.8509 -22.8507 -22.2062 -22.2062 -22.1917 -22.1914 -14.1366 -14.1366 -5.6536 -5.6523 -5.6329 -5.6315 -5.5812 -5.5802 -1.4900 -1.4803 0.1848 0.1930 0.2088 0.2110 5.9308 5.9308 6.5752 6.5753 6.5939 6.5942 7.6402 7.6485 8.0923 8.0967 8.1097 8.1166 10.2615 10.2636 10.3147 10.3163 10.3286 10.3295 14.5724 14.5752 14.6043 14.6063 14.6398 14.6400 17.0008 17.0090 k =-0.4989 0.5000 0.4778 ( 2788 PWs) bands (ev): -46.1164 -46.1164 -22.8510 -22.8509 -22.2062 -22.2062 -22.1920 -22.1918 -14.1361 -14.1361 -5.6520 -5.6511 -5.6310 -5.6301 -5.5765 -5.5758 -1.4933 -1.4869 0.1799 0.1857 0.2034 0.2048 5.9247 5.9247 6.5753 6.5754 6.5859 6.5861 7.6443 7.6499 8.1020 8.1026 8.1110 8.1181 10.2629 10.2642 10.3237 10.3247 10.3374 10.3380 14.5792 14.5813 14.6063 14.6079 14.6461 14.6463 16.9856 16.9905 k =-0.4989 0.5000 0.4903 ( 2792 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8510 -22.2062 -22.2062 -22.1921 -22.1920 -14.1358 -14.1358 -5.6509 -5.6504 -5.6298 -5.6293 -5.5736 -5.5733 -1.4947 -1.4914 0.1777 0.1806 0.2002 0.2011 5.9209 5.9209 6.5754 6.5754 6.5812 6.5813 7.6473 7.6501 8.1060 8.1072 8.1135 8.1184 10.2638 10.2644 10.3291 10.3297 10.3428 10.3432 14.5837 14.5848 14.6077 14.6086 14.6500 14.6501 16.9765 16.9792 k =-0.4989 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6505 -5.6503 -5.6293 -5.6290 -5.5725 -5.5725 -1.4942 -1.4938 0.1778 0.1780 0.1992 0.1998 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6490 7.6494 8.1076 8.1079 8.1166 8.1168 10.2642 10.2642 10.3310 10.3314 10.3446 10.3450 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9736 16.9752 k =-0.4989 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6505 -5.6503 -5.6293 -5.6290 -5.5725 -5.5725 -1.4942 -1.4938 0.1778 0.1780 0.1992 0.1998 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6490 7.6494 8.1076 8.1079 8.1166 8.1168 10.2642 10.2642 10.3310 10.3314 10.3446 10.3450 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9736 16.9752 k =-0.5000 0.4989 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6504 -5.6504 -5.6292 -5.6292 -5.5725 -5.5725 -1.4941 -1.4941 0.1779 0.1779 0.1995 0.1995 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6492 7.6492 8.1077 8.1077 8.1167 8.1167 10.2643 10.2643 10.3312 10.3312 10.3448 10.3448 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9744 16.9744 k =-0.5000 0.4989 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6504 -5.6504 -5.6292 -5.6292 -5.5725 -5.5725 -1.4941 -1.4941 0.1779 0.1779 0.1995 0.1995 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6492 7.6492 8.1077 8.1077 8.1167 8.1167 10.2643 10.2643 10.3312 10.3312 10.3448 10.3448 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9744 16.9744 k =-0.5000 0.4989 0.4903 ( 2792 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8510 -22.2062 -22.2062 -22.1921 -22.1920 -14.1358 -14.1358 -5.6509 -5.6505 -5.6297 -5.6293 -5.5736 -5.5733 -1.4947 -1.4914 0.1776 0.1806 0.2004 0.2009 5.9209 5.9209 6.5754 6.5754 6.5812 6.5813 7.6473 7.6501 8.1061 8.1073 8.1135 8.1184 10.2638 10.2644 10.3292 10.3297 10.3429 10.3431 14.5837 14.5848 14.6077 14.6086 14.6500 14.6501 16.9768 16.9789 k =-0.5000 0.4989 0.4778 ( 2788 PWs) bands (ev): -46.1164 -46.1164 -22.8510 -22.8509 -22.2062 -22.2062 -22.1920 -22.1918 -14.1361 -14.1361 -5.6519 -5.6511 -5.6309 -5.6301 -5.5765 -5.5758 -1.4933 -1.4869 0.1799 0.1857 0.2035 0.2047 5.9247 5.9247 6.5753 6.5753 6.5859 6.5861 7.6443 7.6499 8.1022 8.1025 8.1110 8.1181 10.2629 10.2642 10.3237 10.3247 10.3375 10.3380 14.5792 14.5814 14.6063 14.6079 14.6462 14.6463 16.9858 16.9904 k =-0.5000 0.4989 0.4652 ( 2776 PWs) bands (ev): -46.1164 -46.1164 -22.8509 -22.8507 -22.2062 -22.2062 -22.1917 -22.1914 -14.1366 -14.1366 -5.6536 -5.6523 -5.6328 -5.6315 -5.5812 -5.5802 -1.4900 -1.4804 0.1848 0.1930 0.2089 0.2109 5.9308 5.9308 6.5752 6.5752 6.5939 6.5942 7.6402 7.6485 8.0924 8.0967 8.1096 8.1166 10.2615 10.2637 10.3148 10.3163 10.3287 10.3295 14.5724 14.5752 14.6043 14.6063 14.6398 14.6400 17.0012 17.0091 k =-0.5000 0.4989 0.4526 ( 2768 PWs) bands (ev): -46.1165 -46.1165 -22.8508 -22.8505 -22.2062 -22.2062 -22.1913 -22.1909 -14.1374 -14.1374 -5.6559 -5.6540 -5.6354 -5.6336 -5.5876 -5.5862 -1.4847 -1.4720 0.1921 0.2023 0.2165 0.2199 5.9391 5.9391 6.5750 6.5751 6.6053 6.6057 7.6347 7.6459 8.0792 8.0881 8.1080 8.1142 10.2594 10.2628 10.3025 10.3049 10.3166 10.3178 14.5633 14.5664 14.6017 14.6037 14.6310 14.6314 17.0208 17.0339 k =-0.5000 0.4989 0.4400 ( 2760 PWs) bands (ev): -46.1165 -46.1165 -22.8506 -22.8502 -22.2062 -22.2062 -22.1908 -22.1904 -14.1383 -14.1383 -5.6587 -5.6562 -5.6386 -5.6364 -5.5958 -5.5939 -1.4775 -1.4617 0.2019 0.2134 0.2262 0.2316 5.9492 5.9493 6.5748 6.5749 6.6204 6.6209 7.6278 7.6418 8.0632 8.0767 8.1059 8.1114 10.2558 10.2614 10.2870 10.2907 10.3013 10.3036 14.5520 14.5553 14.5982 14.6002 14.6201 14.6206 17.0338 17.0417 k =-0.5000 0.4989 0.4275 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8504 -22.8500 -22.2063 -22.2062 -22.1902 -22.1897 -14.1395 -14.1395 -5.6623 -5.6589 -5.6426 -5.6397 -5.6055 -5.6030 -1.4684 -1.4497 0.2140 0.2260 0.2382 0.2463 5.9608 5.9609 6.5746 6.5747 6.6395 6.6401 7.6193 7.6361 8.0447 8.0626 8.1032 8.1081 10.2493 10.2585 10.2690 10.2742 10.2837 10.2882 14.5386 14.5421 14.5937 14.5953 14.6074 14.6082 17.0338 17.0573 k =-0.5000 0.4989 0.4149 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8501 -22.8497 -22.2063 -22.2063 -22.1895 -22.1890 -14.1408 -14.1408 -5.6667 -5.6621 -5.6473 -5.6437 -5.6166 -5.6135 -1.4575 -1.4359 0.2285 0.2401 0.2523 0.2639 5.9734 5.9735 6.5743 6.5744 6.6628 6.6635 7.6087 7.6283 8.0241 8.0462 8.0999 8.1044 10.2367 10.2457 10.2533 10.2551 10.2678 10.2755 14.5233 14.5268 14.5861 14.5869 14.5950 14.5965 17.0344 17.0645 k =-0.5000 0.4989 0.4023 ( 2752 PWs) bands (ev): -46.1165 -46.1165 -22.8498 -22.8493 -22.2064 -22.2063 -22.1888 -22.1881 -14.1424 -14.1424 -5.6721 -5.6657 -5.6529 -5.6482 -5.6289 -5.6248 -1.4447 -1.4205 0.2450 0.2557 0.2688 0.2842 5.9865 5.9867 6.5740 6.5742 6.6906 6.6914 7.5959 7.6182 8.0020 8.0280 8.0959 8.1001 10.2171 10.2223 10.2324 10.2329 10.2616 10.2680 14.5062 14.5098 14.5718 14.5722 14.5868 14.5887 17.0349 17.0663 k =-0.5000 0.4989 0.3898 ( 2756 PWs) bands (ev): -46.1165 -46.1165 -22.8496 -22.8490 -22.2064 -22.2064 -22.1880 -22.1873 -14.1441 -14.1441 -5.6788 -5.6699 -5.6602 -5.6534 -5.6414 -5.6367 -1.4303 -1.4035 0.2634 0.2728 0.2875 0.3071 5.9999 6.0001 6.5736 6.5738 6.7231 6.7241 7.5804 7.6051 7.9789 8.0085 8.0912 8.0952 10.1929 10.1962 10.2065 10.2069 10.2587 10.2633 14.4875 14.4911 14.5537 14.5541 14.5803 14.5820 17.0343 17.0647 k =-0.5000 0.4989 0.3772 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8492 -22.8486 -22.2065 -22.2064 -22.1870 -22.1863 -14.1459 -14.1459 -5.6874 -5.6746 -5.6701 -5.6591 -5.6529 -5.6483 -1.4143 -1.3851 0.2834 0.2914 0.3087 0.3324 6.0129 6.0132 6.5732 6.5735 6.7606 6.7617 7.5618 7.5885 7.9556 7.9883 8.0857 8.0895 10.1658 10.1679 10.1779 10.1782 10.2564 10.2599 14.4674 14.4711 14.5336 14.5341 14.5735 14.5751 17.0316 17.0600 k =-0.5000 0.4989 0.3646 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8488 -22.8482 -22.2065 -22.2065 -22.1860 -22.1852 -14.1480 -14.1480 -5.6984 -5.6849 -5.6787 -5.6654 -5.6620 -5.6587 -1.3967 -1.3653 0.3049 0.3115 0.3323 0.3599 6.0254 6.0258 6.5728 6.5731 6.8031 6.8044 7.5397 7.5677 7.9328 7.9679 8.0794 8.0832 10.1366 10.1380 10.1472 10.1473 10.2541 10.2568 14.4461 14.4498 14.5122 14.5127 14.5663 14.5678 17.0255 17.0513 k =-0.5000 0.4989 0.3520 ( 2752 PWs) bands (ev): -46.1166 -46.1166 -22.8485 -22.8478 -22.2066 -22.2066 -22.1849 -22.1841 -14.1501 -14.1501 -5.7123 -5.7015 -5.6841 -5.6724 -5.6698 -5.6676 -1.3776 -1.3443 0.3275 0.3330 0.3584 0.3895 6.0371 6.0375 6.5724 6.5727 6.8507 6.8521 7.5139 7.5424 7.9112 7.9478 8.0723 8.0760 10.1059 10.1065 10.1147 10.1148 10.2517 10.2539 14.4237 14.4275 14.4896 14.4901 14.5587 14.5600 17.0146 17.0376 k =-0.5000 0.4989 0.3395 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8480 -22.8473 -22.2067 -22.2067 -22.1837 -22.1828 -14.1524 -14.1524 -5.7286 -5.7201 -5.6896 -5.6796 -5.6772 -5.6754 -1.3573 -1.3221 0.3513 0.3558 0.3869 0.4212 6.0477 6.0482 6.5720 6.5722 6.9031 6.9047 7.4840 7.5121 7.8914 7.9286 8.0643 8.0680 10.0739 10.0740 10.0808 10.0811 10.2493 10.2511 14.4005 14.4044 14.4660 14.4666 14.5506 14.5519 16.9975 17.0176 k =-0.5000 0.4989 0.3269 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8476 -22.8468 -22.2068 -22.2068 -22.1825 -22.1816 -14.1548 -14.1548 -5.7467 -5.7397 -5.6954 -5.6867 -5.6845 -5.6829 -1.3357 -1.2990 0.3761 0.3798 0.4176 0.4546 6.0572 6.0578 6.5715 6.5718 6.9602 6.9619 7.4499 7.4768 7.8737 7.9105 8.0554 8.0591 10.0400 10.0412 10.0459 10.0467 10.2468 10.2483 14.3766 14.3807 14.4417 14.4423 14.5421 14.5433 16.9729 16.9901 k =-0.5000 0.4989 0.3143 ( 2744 PWs) bands (ev): -46.1167 -46.1167 -22.8471 -22.8463 -22.2069 -22.2069 -22.1812 -22.1802 -14.1573 -14.1573 -5.7662 -5.7603 -5.7015 -5.6936 -5.6918 -5.6903 -1.3130 -1.2750 0.4018 0.4048 0.4504 0.4898 6.0657 6.0663 6.5710 6.5713 7.0214 7.0234 7.4118 7.4366 7.8582 7.8938 8.0455 8.0494 10.0050 10.0076 10.0106 10.0123 10.2441 10.2454 14.3522 14.3565 14.4168 14.4174 14.5333 14.5344 16.9396 16.9542 k =-0.5000 0.4989 0.3017 ( 2740 PWs) bands (ev): -46.1168 -46.1168 -22.8466 -22.8458 -22.2070 -22.2069 -22.1798 -22.1788 -14.1598 -14.1598 -5.7866 -5.7815 -5.7079 -5.7004 -5.6990 -5.6979 -1.2894 -1.2502 0.4283 0.4308 0.4851 0.5265 6.0730 6.0737 6.5705 6.5709 7.0861 7.0885 7.3702 7.3921 7.8449 7.8785 8.0348 8.0388 9.9689 9.9722 9.9765 9.9785 10.2414 10.2425 14.3276 14.3320 14.3914 14.3921 14.5242 14.5252 16.8972 16.9094 k =-0.5000 0.4989 0.2892 ( 2736 PWs) bands (ev): -46.1168 -46.1168 -22.8461 -22.8453 -22.2070 -22.2070 -22.1784 -22.1774 -14.1625 -14.1625 -5.8077 -5.8032 -5.7144 -5.7071 -5.7062 -5.7055 -1.2650 -1.2249 0.4555 0.4576 0.5214 0.5646 6.0793 6.0801 6.5700 6.5704 7.1526 7.1562 7.3264 7.3443 7.8336 7.8647 8.0233 8.0274 9.9323 9.9357 9.9434 9.9452 10.2387 10.2396 14.3028 14.3074 14.3658 14.3665 14.5148 14.5158 16.8455 16.8558 k =-0.5000 0.4989 0.2766 ( 2736 PWs) bands (ev): -46.1169 -46.1169 -22.8456 -22.8448 -22.2071 -22.2071 -22.1770 -22.1760 -14.1651 -14.1651 -5.8292 -5.8253 -5.7213 -5.7138 -5.7134 -5.7133 -1.2398 -1.1991 0.4833 0.4851 0.5593 0.6038 6.0846 6.0854 6.5695 6.5699 7.2124 7.2215 7.2887 7.2979 7.8240 7.8524 8.0110 8.0155 9.8954 9.8989 9.9111 9.9127 10.2359 10.2366 14.2780 14.2828 14.3400 14.3407 14.5053 14.5063 16.7851 16.7939 k =-0.5000 0.4989 0.2640 ( 2732 PWs) bands (ev): -46.1169 -46.1169 -22.8451 -22.8442 -22.2072 -22.2072 -22.1756 -22.1745 -14.1678 -14.1678 -5.8511 -5.8475 -5.7283 -5.7211 -5.7204 -5.7203 -1.2142 -1.1731 0.5115 0.5131 0.5985 0.6441 6.0890 6.0899 6.5690 6.5694 7.2069 7.2244 7.3128 7.3154 7.8162 7.8414 7.9984 8.0031 9.8588 9.8624 9.8797 9.8811 10.2331 10.2337 14.2534 14.2585 14.3143 14.3150 14.4957 14.4966 16.7169 16.7246 k =-0.5000 0.4989 0.2515 ( 2732 PWs) bands (ev): -46.1169 -46.1169 -22.8446 -22.8437 -22.2073 -22.2073 -22.1741 -22.1731 -14.1706 -14.1706 -5.8730 -5.8697 -5.7354 -5.7289 -5.7272 -5.7269 -1.1881 -1.1469 0.5401 0.5414 0.6388 0.6851 6.0926 6.0937 6.5685 6.5690 7.1580 7.1716 7.3817 7.3838 7.8102 7.8318 7.9858 7.9909 9.8226 9.8262 9.8493 9.8506 10.2303 10.2308 14.2292 14.2346 14.2887 14.2895 14.4859 14.4869 16.6419 16.6489 k =-0.5000 0.4989 0.2389 ( 2732 PWs) bands (ev): -46.1170 -46.1170 -22.8441 -22.8432 -22.2074 -22.2074 -22.1727 -22.1717 -14.1733 -14.1733 -5.8948 -5.8918 -5.7426 -5.7366 -5.7339 -5.7334 -1.1619 -1.1208 0.5688 0.5699 0.6800 0.7267 6.0956 6.0967 6.5681 6.5685 7.1029 7.1133 7.4532 7.4557 7.8062 7.8238 7.9739 7.9797 9.7871 9.7908 9.8201 9.8214 10.2275 10.2278 14.2056 14.2113 14.2634 14.2642 14.4762 14.4772 16.5615 16.5680 k =-0.5000 0.4989 0.2263 ( 2736 PWs) bands (ev): -46.1170 -46.1170 -22.8436 -22.8428 -22.2075 -22.2075 -22.1713 -22.1702 -14.1760 -14.1760 -5.9164 -5.9137 -5.7498 -5.7442 -5.7403 -5.7398 -1.1356 -1.0949 0.5974 0.5984 0.7218 0.7687 6.0980 6.0991 6.5676 6.5681 7.0456 7.0532 7.5215 7.5253 7.8047 7.8177 7.9644 7.9709 9.7525 9.7563 9.7923 9.7936 10.2247 10.2250 14.1826 14.1886 14.2385 14.2394 14.4666 14.4675 16.4767 16.4829 k =-0.5000 0.4989 0.2137 ( 2732 PWs) bands (ev): -46.1171 -46.1171 -22.8431 -22.8423 -22.2076 -22.2076 -22.1698 -22.1688 -14.1786 -14.1786 -5.9377 -5.9351 -5.7570 -5.7517 -5.7466 -5.7460 -1.1094 -1.0693 0.6259 0.6268 0.7641 0.8108 6.0998 6.1010 6.5671 6.5676 6.9870 6.9922 7.5820 7.5883 7.8063 7.8137 7.9604 7.9676 9.7191 9.7230 9.7661 9.7674 10.2219 10.2222 14.1604 14.1668 14.2142 14.2152 14.4571 14.4580 16.3887 16.3948 k =-0.5000 0.4989 0.2012 ( 2724 PWs) bands (ev): -46.1171 -46.1171 -22.8426 -22.8418 -22.2077 -22.2077 -22.1683 -22.1674 -14.1812 -14.1812 -5.9584 -5.9561 -5.7640 -5.7591 -5.7527 -5.7521 -1.0835 -1.0443 0.6540 0.6548 0.8065 0.8527 6.1012 6.1025 6.5667 6.5672 6.9280 6.9310 7.6292 7.6391 7.8099 7.8116 7.9676 7.9748 9.6871 9.6909 9.7415 9.7428 10.2192 10.2194 14.1392 14.1459 14.1905 14.1917 14.4478 14.4487 16.2985 16.3045 k =-0.5000 0.4989 0.1886 ( 2728 PWs) bands (ev): -46.1171 -46.1171 -22.8421 -22.8414 -22.2078 -22.2078 -22.1670 -22.1660 -14.1838 -14.1838 -5.9786 -5.9764 -5.7708 -5.7662 -5.7586 -5.7579 -1.0580 -1.0199 0.6816 0.6822 0.8488 0.8942 6.1023 6.1036 6.5663 6.5668 6.8690 6.8701 7.6598 7.6730 7.8092 7.8114 7.9932 7.9989 9.6564 9.6602 9.7185 9.7199 10.2166 10.2167 14.1190 14.1261 14.1677 14.1690 14.4387 14.4396 16.2071 16.2131 k =-0.5000 0.4989 0.1760 ( 2732 PWs) bands (ev): -46.1172 -46.1172 -22.8417 -22.8409 -22.2079 -22.2079 -22.1656 -22.1647 -14.1862 -14.1862 -5.9980 -5.9960 -5.7774 -5.7731 -5.7642 -5.7636 -1.0331 -0.9963 0.7084 0.7090 0.8907 0.9349 6.1030 6.1044 6.5659 6.5665 6.8101 6.8106 7.6758 7.6906 7.8034 7.8068 8.0385 8.0419 9.6274 9.6310 9.6973 9.6987 10.2141 10.2142 14.1001 14.1075 14.1458 14.1472 14.4299 14.4308 16.1154 16.1215 k =-0.5000 0.4989 0.1634 ( 2732 PWs) bands (ev): -46.1172 -46.1172 -22.8413 -22.8405 -22.2080 -22.2080 -22.1643 -22.1634 -14.1886 -14.1886 -6.0166 -6.0148 -5.7836 -5.7796 -5.7696 -5.7690 -1.0090 -0.9738 0.7344 0.7349 0.9319 0.9747 6.1035 6.1049 6.5654 6.5661 6.7516 6.7534 7.6823 7.6970 7.7933 7.7965 8.0977 8.0992 9.6001 9.6036 9.6778 9.6792 10.2117 10.2117 14.0825 14.0902 14.1249 14.1265 14.4215 14.4223 16.0244 16.0305 k =-0.5000 0.4989 0.1509 ( 2736 PWs) bands (ev): -46.1172 -46.1172 -22.8408 -22.8402 -22.2081 -22.2081 -22.1631 -22.1623 -14.1908 -14.1908 -6.0342 -6.0325 -5.7896 -5.7859 -5.7747 -5.7741 -0.9857 -0.9523 0.7593 0.7598 0.9720 1.0131 6.1038 6.1053 6.5650 6.5658 6.6949 6.6979 7.6834 7.6972 7.7800 7.7827 8.1640 8.1642 9.5746 9.5779 9.6601 9.6615 10.2094 10.2094 14.0663 14.0743 14.1052 14.1070 14.4135 14.4143 15.9350 15.9411 k =-0.5000 0.4989 0.1383 ( 2740 PWs) bands (ev): -46.1173 -46.1173 -22.8405 -22.8398 -22.2082 -22.2082 -22.1619 -22.1611 -14.1929 -14.1929 -6.0508 -6.0492 -5.7952 -5.7918 -5.7794 -5.7789 -0.9636 -0.9322 0.7830 0.7834 1.0109 1.0498 6.1039 6.1055 6.5643 6.5655 6.6406 6.6447 7.6817 7.6942 7.7650 7.7672 8.2322 8.2327 9.5509 9.5540 9.6440 9.6454 10.2072 10.2072 14.0515 14.0598 14.0868 14.0887 14.4059 14.4067 15.8480 15.8541 k =-0.5000 0.4989 0.1257 ( 2742 PWs) bands (ev): -46.1173 -46.1173 -22.8401 -22.8395 -22.2083 -22.2083 -22.1608 -22.1601 -14.1949 -14.1949 -6.0662 -6.0648 -5.8004 -5.7972 -5.7839 -5.7834 -0.9426 -0.9134 0.8052 0.8056 1.0480 1.0846 6.1039 6.1055 6.5627 6.5651 6.5892 6.5952 7.6784 7.6896 7.7492 7.7510 8.3003 8.3012 9.5291 9.5320 9.6295 9.6309 10.2052 10.2052 14.0383 14.0467 14.0698 14.0719 14.3988 14.3996 15.7644 15.7704 k =-0.5000 0.4989 0.1132 ( 2750 PWs) bands (ev): -46.1173 -46.1173 -22.8398 -22.8392 -22.2084 -22.2084 -22.1598 -22.1591 -14.1967 -14.1967 -6.0804 -6.0792 -5.8051 -5.8023 -5.7880 -5.7875 -0.9231 -0.8962 0.8259 0.8262 1.0832 1.1171 6.1038 6.1054 6.5407 6.5420 6.5653 6.5678 7.6742 7.6841 7.7335 7.7349 8.3663 8.3675 9.5093 9.5119 9.6166 9.6180 10.2033 10.2033 14.0265 14.0350 14.0544 14.0566 14.3923 14.3930 15.6850 15.6909 k =-0.5000 0.4989 0.1006 ( 2748 PWs) bands (ev): -46.1174 -46.1174 -22.8395 -22.8390 -22.2084 -22.2084 -22.1588 -22.1582 -14.1984 -14.1984 -6.0933 -6.0922 -5.8095 -5.8069 -5.7917 -5.7913 -0.9050 -0.8807 0.8449 0.8451 1.1160 1.1470 6.1037 6.1053 6.4964 6.4996 6.5650 6.5656 7.6698 7.6784 7.7182 7.7195 8.4288 8.4302 9.4914 9.4938 9.6052 9.6066 10.2016 10.2017 14.0161 14.0244 14.0408 14.0430 14.3864 14.3870 15.6108 15.6165 k =-0.5000 0.4989 0.0880 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8391 -22.8387 -22.2085 -22.2085 -22.1579 -22.1574 -14.1999 -14.1999 -6.1048 -6.1039 -5.8133 -5.8111 -5.7950 -5.7946 -0.8885 -0.8669 0.8620 0.8622 1.1462 1.1739 6.1035 6.1051 6.4562 6.4597 6.5648 6.5651 7.6654 7.6728 7.7040 7.7050 8.4868 8.4882 9.4756 9.4776 9.5953 9.5966 10.2001 10.2001 14.0071 14.0148 14.0293 14.0313 14.3810 14.3817 15.5426 15.5480 k =-0.5000 0.4989 0.0754 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8389 -22.8385 -22.2085 -22.2085 -22.1571 -22.1567 -14.2012 -14.2012 -6.1150 -6.1141 -5.8167 -5.8147 -5.7979 -5.7976 -0.8737 -0.8550 0.8771 0.8773 1.1734 1.1977 6.1033 6.1048 6.4206 6.4239 6.5646 6.5648 7.6612 7.6675 7.6910 7.6919 8.5392 8.5406 9.4617 9.4634 9.5867 9.5880 10.1987 10.1988 13.9992 14.0060 14.0200 14.0215 14.3764 14.3769 15.4814 15.4863 k =-0.5000 0.4989 0.0629 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8386 -22.8383 -22.2086 -22.2086 -22.1565 -22.1561 -14.2023 -14.2023 -6.1236 -6.1229 -5.8195 -5.8179 -5.8004 -5.8001 -0.8608 -0.8450 0.8901 0.8902 1.1973 1.2179 6.1031 6.1045 6.3899 6.3928 6.5645 6.5646 7.6575 7.6626 7.6796 7.6803 8.5852 8.5865 9.4499 9.4513 9.5796 9.5807 10.1976 10.1977 13.9924 13.9978 14.0129 14.0136 14.3724 14.3729 15.4279 15.4322 k =-0.5000 0.4989 0.0503 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8384 -22.8382 -22.2086 -22.2086 -22.1559 -22.1556 -14.2033 -14.2033 -6.1307 -6.1302 -5.8218 -5.8205 -5.8024 -5.8022 -0.8498 -0.8370 0.9009 0.9010 1.2177 1.2344 6.1029 6.1042 6.3643 6.3668 6.5644 6.5644 7.6542 7.6583 7.6700 7.6707 8.6240 8.6252 9.4402 9.4413 9.5738 9.5748 10.1967 10.1967 13.9867 13.9907 14.0077 14.0078 14.3691 14.3695 15.3830 15.3866 k =-0.5000 0.4989 0.0377 ( 2736 PWs) bands (ev): -46.1174 -46.1174 -22.8383 -22.8381 -22.2087 -22.2087 -22.1554 -22.1552 -14.2040 -14.2040 -6.1363 -6.1359 -5.8236 -5.8226 -5.8040 -5.8038 -0.8408 -0.8311 0.9094 0.9094 1.2343 1.2470 6.1028 6.1038 6.3443 6.3462 6.5643 6.5643 7.6516 7.6547 7.6625 7.6630 8.6550 8.6559 9.4325 9.4334 9.5693 9.5701 10.1959 10.1960 13.9821 13.9849 14.0037 14.0040 14.3665 14.3668 15.3473 15.3502 k =-0.5000 0.4989 0.0251 ( 2732 PWs) bands (ev): -46.1175 -46.1175 -22.8381 -22.8380 -22.2087 -22.2087 -22.1551 -22.1549 -14.2045 -14.2045 -6.1402 -6.1400 -5.8248 -5.8242 -5.8051 -5.8050 -0.8338 -0.8274 0.9155 0.9155 1.2470 1.2555 6.1028 6.1035 6.3300 6.3313 6.5643 6.5643 7.6497 7.6518 7.6572 7.6575 8.6777 8.6783 9.4271 9.4276 9.5662 9.5667 10.1954 10.1954 13.9788 13.9805 14.0011 14.0014 14.3647 14.3649 15.3216 15.3235 k =-0.5000 0.4989 0.0126 ( 2724 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8379 -22.2087 -22.2087 -22.1548 -22.1547 -14.2048 -14.2048 -6.1426 -6.1425 -5.8255 -5.8252 -5.8058 -5.8057 -0.8290 -0.8258 0.9192 0.9192 1.2555 1.2598 6.1029 6.1033 6.3214 6.3221 6.5642 6.5642 7.6486 7.6496 7.6542 7.6543 8.6915 8.6918 9.4238 9.4241 9.5644 9.5646 10.1951 10.1951 13.9769 13.9777 13.9997 13.9999 14.3636 14.3637 15.3061 15.3071 k =-0.5000 0.4989 0.0000 ( 2728 PWs) bands (ev): -46.1175 -46.1175 -22.8380 -22.8380 -22.2087 -22.2087 -22.1547 -22.1547 -14.2049 -14.2049 -6.1433 -6.1433 -5.8256 -5.8256 -5.8060 -5.8060 -0.8263 -0.8263 0.9204 0.9204 1.2598 1.2598 6.1030 6.1030 6.3188 6.3188 6.5642 6.5642 7.6485 7.6485 7.6533 7.6533 8.6962 8.6962 9.4228 9.4228 9.5638 9.5638 10.1950 10.1950 13.9765 13.9765 13.9993 13.9993 14.3633 14.3633 15.3013 15.3013 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8240 -22.1794 -22.1794 -22.1569 -22.1569 -14.2749 -14.2749 -6.7632 -6.7632 -5.8318 -5.8318 -5.5120 -5.5120 -0.7263 -0.7263 1.1731 1.1731 1.3169 1.3169 6.3993 6.3993 7.6014 7.6014 7.6179 7.6179 8.2410 8.2410 8.3050 8.3050 8.6075 8.6075 8.7131 8.7131 9.4088 9.4088 9.5036 9.5036 12.6180 12.6180 13.9382 13.9382 14.0151 14.0151 14.5205 14.5205 k =-0.0089 0.0089 0.5029 ( 2762 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8240 -22.1795 -22.1795 -22.1569 -22.1569 -14.2748 -14.2748 -6.7624 -6.7624 -5.8317 -5.8317 -5.5123 -5.5123 -0.7265 -0.7265 1.1730 1.1730 1.3163 1.3163 6.3990 6.3990 7.6016 7.6016 7.6176 7.6176 8.2300 8.2300 8.3003 8.3003 8.6147 8.6147 8.7219 8.7219 9.4058 9.4058 9.5019 9.5019 12.6204 12.6204 13.9383 13.9383 14.0152 14.0152 14.5239 14.5239 k =-0.0179 0.0178 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8240 -22.8240 -22.1795 -22.1795 -22.1570 -22.1570 -14.2745 -14.2745 -6.7602 -6.7602 -5.8312 -5.8312 -5.5134 -5.5134 -0.7271 -0.7271 1.1726 1.1726 1.3144 1.3144 6.3980 6.3980 7.6023 7.6023 7.6168 7.6168 8.1992 8.1992 8.2872 8.2872 8.6343 8.6344 8.7462 8.7462 9.3969 9.3969 9.4968 9.4968 12.6275 12.6275 13.9386 13.9386 14.0155 14.0155 14.5339 14.5339 k =-0.0268 0.0267 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8241 -22.8241 -22.1795 -22.1795 -22.1572 -22.1572 -14.2739 -14.2739 -6.7564 -6.7564 -5.8305 -5.8305 -5.5152 -5.5152 -0.7280 -0.7280 1.1720 1.1720 1.3113 1.3113 6.3964 6.3964 7.6033 7.6033 7.6155 7.6155 8.1541 8.1541 8.2682 8.2682 8.6630 8.6630 8.7820 8.7820 9.3821 9.3821 9.4885 9.4885 12.6393 12.6393 13.9391 13.9391 14.0159 14.0159 14.5505 14.5505 k =-0.0357 0.0356 0.5029 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8243 -22.8243 -22.1796 -22.1796 -22.1575 -22.1575 -14.2731 -14.2731 -6.7511 -6.7511 -5.8295 -5.8295 -5.5176 -5.5176 -0.7293 -0.7293 1.1709 1.1709 1.3072 1.3072 6.3941 6.3941 7.6040 7.6040 7.6141 7.6141 8.0995 8.0995 8.2457 8.2457 8.6977 8.6977 8.8251 8.8251 9.3617 9.3617 9.4770 9.4770 12.6556 12.6556 13.9400 13.9400 14.0165 14.0165 14.5735 14.5735 k =-0.0446 0.0445 0.5029 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8244 -22.8244 -22.1797 -22.1797 -22.1578 -22.1578 -14.2721 -14.2721 -6.7443 -6.7443 -5.8282 -5.8282 -5.5207 -5.5207 -0.7311 -0.7311 1.1693 1.1693 1.3020 1.3020 6.3913 6.3913 7.6036 7.6036 7.6136 7.6136 8.0390 8.0390 8.2212 8.2212 8.7367 8.7367 8.8721 8.8721 9.3357 9.3357 9.4629 9.4629 12.6763 12.6763 13.9411 13.9411 14.0173 14.0173 14.6029 14.6029 k =-0.0536 0.0534 0.5029 ( 2754 PWs) bands (ev): -46.1183 -46.1183 -22.8247 -22.8247 -22.1798 -22.1798 -22.1582 -22.1582 -14.2708 -14.2708 -6.7361 -6.7361 -5.8267 -5.8267 -5.5245 -5.5245 -0.7334 -0.7334 1.1668 1.1668 1.2961 1.2961 6.3879 6.3879 7.6012 7.6012 7.6146 7.6146 7.9749 7.9749 8.1959 8.1959 8.7789 8.7789 8.9211 8.9211 9.3045 9.3045 9.4462 9.4462 12.7012 12.7012 13.9426 13.9426 14.0184 14.0184 14.6382 14.6382 k =-0.0625 0.0624 0.5029 ( 2758 PWs) bands (ev): -46.1183 -46.1183 -22.8250 -22.8250 -22.1799 -22.1799 -22.1588 -22.1588 -14.2694 -14.2694 -6.7264 -6.7264 -5.8248 -5.8248 -5.5288 -5.5288 -0.7362 -0.7362 1.1634 1.1634 1.2896 1.2896 6.3840 6.3840 7.5972 7.5972 7.6166 7.6166 7.9085 7.9085 8.1706 8.1706 8.8234 8.8234 8.9706 8.9706 9.2684 9.2684 9.4275 9.4275 12.7300 12.7300 13.9446 13.9446 14.0197 14.0197 14.6794 14.6794 k =-0.0714 0.0713 0.5029 ( 2754 PWs) bands (ev): -46.1182 -46.1182 -22.8252 -22.8252 -22.1801 -22.1801 -22.1593 -22.1593 -14.2677 -14.2677 -6.7152 -6.7152 -5.8227 -5.8227 -5.5336 -5.5336 -0.7396 -0.7396 1.1586 1.1586 1.2827 1.2827 6.3797 6.3797 7.5920 7.5920 7.6189 7.6189 7.8412 7.8412 8.1459 8.1459 8.8698 8.8698 9.0198 9.0198 9.2277 9.2277 9.4072 9.4072 12.7625 12.7625 13.9471 13.9471 14.0215 14.0215 14.7261 14.7261 k =-0.0804 0.0802 0.5029 ( 2748 PWs) bands (ev): -46.1182 -46.1182 -22.8255 -22.8255 -22.1802 -22.1802 -22.1599 -22.1599 -14.2659 -14.2659 -6.7026 -6.7026 -5.8204 -5.8204 -5.5389 -5.5389 -0.7437 -0.7437 1.1521 1.1521 1.2757 1.2757 6.3749 6.3749 7.5858 7.5858 7.6210 7.6210 7.7737 7.7737 8.1220 8.1220 8.9177 8.9177 9.0682 9.0682 9.1829 9.1829 9.3858 9.3858 12.7984 12.7984 13.9501 13.9501 14.0237 14.0237 14.7780 14.7780 k =-0.0893 0.0891 0.5029 ( 2748 PWs) bands (ev): -46.1182 -46.1182 -22.8259 -22.8259 -22.1804 -22.1804 -22.1606 -22.1606 -14.2638 -14.2638 -6.6887 -6.6887 -5.8177 -5.8177 -5.5446 -5.5446 -0.7485 -0.7485 1.1437 1.1437 1.2689 1.2689 6.3698 6.3698 7.5787 7.5787 7.6228 7.6228 7.7067 7.7067 8.0991 8.0991 8.9666 8.9666 9.1140 9.1140 9.1358 9.1358 9.3637 9.3637 12.8374 12.8374 13.9538 13.9538 14.0263 14.0263 14.8348 14.8348 k =-0.0982 0.0980 0.5029 ( 2756 PWs) bands (ev): -46.1182 -46.1182 -22.8264 -22.8264 -22.1807 -22.1807 -22.1615 -22.1615 -14.2615 -14.2615 -6.6734 -6.6734 -5.8148 -5.8148 -5.5507 -5.5507 -0.7541 -0.7541 1.1332 1.1332 1.2623 1.2623 6.3645 6.3645 7.5703 7.5703 7.6235 7.6235 7.6414 7.6414 8.0775 8.0775 9.0159 9.0159 9.0820 9.0820 9.1624 9.1624 9.3415 9.3415 12.8794 12.8794 13.9583 13.9583 14.0295 14.0295 14.8961 14.8961 k =-0.1071 0.1069 0.5029 ( 2758 PWs) bands (ev): -46.1181 -46.1181 -22.8268 -22.8268 -22.1809 -22.1809 -22.1623 -22.1623 -14.2591 -14.2591 -6.6567 -6.6567 -5.8117 -5.8117 -5.5570 -5.5570 -0.7606 -0.7606 1.1204 1.1204 1.2559 1.2559 6.3589 6.3589 7.5577 7.5577 7.5804 7.5804 7.6239 7.6239 8.0571 8.0571 9.0239 9.0239 9.0699 9.0699 9.2068 9.2068 9.3198 9.3198 12.9238 12.9238 13.9635 13.9635 14.0333 14.0333 14.9616 14.9616 k =-0.1161 0.1158 0.5029 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8273 -22.8273 -22.1811 -22.1811 -22.1632 -22.1632 -14.2565 -14.2565 -6.6387 -6.6387 -5.8084 -5.8084 -5.5635 -5.5635 -0.7679 -0.7679 1.1054 1.1054 1.2497 1.2497 6.3532 6.3532 7.5108 7.5108 7.5554 7.5554 7.6224 7.6224 8.0381 8.0381 8.9677 8.9677 9.1197 9.1197 9.2494 9.2494 9.2995 9.2995 12.9706 12.9706 13.9695 13.9695 14.0378 14.0378 15.0310 15.0310 k =-0.1250 0.1247 0.5029 ( 2750 PWs) bands (ev): -46.1181 -46.1181 -22.8278 -22.8278 -22.1813 -22.1813 -22.1641 -22.1641 -14.2537 -14.2537 -6.6195 -6.6195 -5.8048 -5.8048 -5.5702 -5.5702 -0.7762 -0.7762 1.0882 1.0882 1.2433 1.2433 6.3473 6.3473 7.4522 7.4522 7.5438 7.5438 7.6194 7.6194 8.0204 8.0204 8.9083 8.9083 9.1709 9.1709 9.2763 9.2763 9.2951 9.2951 13.0194 13.0194 13.9764 13.9764 14.0430 14.0430 15.1038 15.1038 k =-0.1339 0.1336 0.5029 ( 2750 PWs) bands (ev): -46.1180 -46.1180 -22.8283 -22.8283 -22.1816 -22.1816 -22.1651 -22.1651 -14.2508 -14.2508 -6.5991 -6.5991 -5.8010 -5.8010 -5.5769 -5.5769 -0.7855 -0.7855 1.0692 1.0692 1.2365 1.2365 6.3415 6.3415 7.3959 7.3959 7.5318 7.5318 7.6143 7.6143 8.0041 8.0041 8.8473 8.8473 9.2224 9.2224 9.2614 9.2614 9.3332 9.3332 13.0699 13.0699 13.9842 13.9842 14.0490 14.0490 15.1798 15.1798 k =-0.1429 0.1425 0.5029 ( 2750 PWs) bands (ev): -46.1180 -46.1180 -22.8289 -22.8289 -22.1819 -22.1819 -22.1662 -22.1662 -14.2477 -14.2477 -6.5775 -6.5775 -5.7970 -5.7970 -5.5837 -5.5837 -0.7958 -0.7958 1.0483 1.0483 1.2290 1.2290 6.3356 6.3356 7.3429 7.3429 7.5190 7.5190 7.6070 7.6070 7.9890 7.9890 8.7852 8.7852 9.2471 9.2471 9.2739 9.2739 9.3720 9.3720 13.1218 13.1218 13.9930 13.9930 14.0559 14.0559 15.2585 15.2585 k =-0.1518 0.1514 0.5029 ( 2748 PWs) bands (ev): -46.1179 -46.1179 -22.8295 -22.8295 -22.1822 -22.1822 -22.1673 -22.1673 -14.2445 -14.2445 -6.5548 -6.5548 -5.7927 -5.7927 -5.5903 -5.5903 -0.8071 -0.8071 1.0259 1.0259 1.2206 1.2206 6.3298 6.3298 7.2938 7.2938 7.5050 7.5050 7.5972 7.5972 7.9753 7.9753 8.7227 8.7227 9.2357 9.2357 9.3250 9.3250 9.4096 9.4096 13.1750 13.1750 14.0027 14.0027 14.0637 14.0637 15.3398 15.3398 k =-0.1607 0.1603 0.5029 ( 2750 PWs) bands (ev): -46.1179 -46.1179 -22.8301 -22.8301 -22.1825 -22.1825 -22.1685 -22.1685 -14.2412 -14.2412 -6.5311 -6.5311 -5.7884 -5.7884 -5.5969 -5.5969 -0.8195 -0.8195 1.0021 1.0021 1.2108 1.2108 6.3240 6.3240 7.2489 7.2489 7.4896 7.4896 7.5847 7.5847 7.9627 7.9627 8.6602 8.6602 9.2276 9.2276 9.3756 9.3756 9.4461 9.4461 13.2291 13.2291 14.0133 14.0133 14.0724 14.0724 15.4231 15.4231 k =-0.1696 0.1693 0.5029 ( 2746 PWs) bands (ev): -46.1178 -46.1178 -22.8307 -22.8307 -22.1828 -22.1828 -22.1697 -22.1697 -14.2377 -14.2377 -6.5063 -6.5063 -5.7838 -5.7838 -5.6032 -5.6032 -0.8330 -0.8330 0.9771 0.9771 1.1995 1.1995 6.3184 6.3184 7.2086 7.2086 7.4728 7.4728 7.5693 7.5693 7.9512 7.9512 8.5983 8.5983 9.2234 9.2234 9.4254 9.4254 9.4817 9.4817 13.2840 13.2840 14.0249 14.0249 14.0822 14.0822 15.5083 15.5083 k =-0.1786 0.1782 0.5029 ( 2746 PWs) bands (ev): -46.1178 -46.1178 -22.8314 -22.8314 -22.1831 -22.1831 -22.1709 -22.1709 -14.2342 -14.2342 -6.4805 -6.4805 -5.7791 -5.7791 -5.6092 -5.6092 -0.8474 -0.8474 0.9510 0.9510 1.1865 1.1865 6.3129 6.3129 7.1731 7.1731 7.4543 7.4543 7.5510 7.5510 7.9407 7.9407 8.5377 8.5377 9.2231 9.2231 9.4741 9.4741 9.5165 9.5165 13.3394 13.3394 14.0374 14.0374 14.0929 14.0929 15.5949 15.5949 k =-0.1875 0.1871 0.5029 ( 2750 PWs) bands (ev): -46.1177 -46.1177 -22.8321 -22.8321 -22.1834 -22.1834 -22.1722 -22.1722 -14.2306 -14.2306 -6.4539 -6.4539 -5.7742 -5.7742 -5.6150 -5.6150 -0.8629 -0.8629 0.9240 0.9240 1.1716 1.1716 6.3075 6.3075 7.1427 7.1427 7.4339 7.4339 7.5297 7.5297 7.9311 7.9311 8.4789 8.4789 9.2270 9.2270 9.5209 9.5209 9.5515 9.5515 13.3951 13.3951 14.0509 14.0509 14.1047 14.1047 15.6827 15.6827 k =-0.1964 0.1960 0.5029 ( 2754 PWs) bands (ev): -46.1177 -46.1177 -22.8328 -22.8328 -22.1838 -22.1838 -22.1736 -22.1736 -14.2268 -14.2268 -6.4265 -6.4265 -5.7692 -5.7692 -5.6203 -5.6203 -0.8795 -0.8795 0.8962 0.8962 1.1545 1.1545 6.3022 6.3022 7.1176 7.1176 7.4115 7.4115 7.5055 7.5055 7.9222 7.9222 8.4225 8.4225 9.2350 9.2350 9.5638 9.5638 9.5883 9.5883 13.4508 13.4508 14.0652 14.0652 14.1175 14.1175 15.7713 15.7713 k =-0.2054 0.2049 0.5029 ( 2750 PWs) bands (ev): -46.1176 -46.1176 -22.8335 -22.8335 -22.1841 -22.1841 -22.1749 -22.1749 -14.2231 -14.2231 -6.3982 -6.3982 -5.7641 -5.7641 -5.6252 -5.6252 -0.8969 -0.8969 0.8677 0.8677 1.1353 1.1353 6.2971 6.2971 7.0979 7.0979 7.3868 7.3868 7.4787 7.4787 7.9140 7.9140 8.3692 8.3692 9.2473 9.2473 9.6009 9.6009 9.6290 9.6290 13.5065 13.5065 14.0804 14.0804 14.1313 14.1313 15.8605 15.8605 k =-0.2143 0.2138 0.5029 ( 2746 PWs) bands (ev): -46.1176 -46.1176 -22.8342 -22.8342 -22.1844 -22.1844 -22.1762 -22.1762 -14.2192 -14.2192 -6.3693 -6.3693 -5.7589 -5.7589 -5.6297 -5.6297 -0.9153 -0.9153 0.8386 0.8386 1.1138 1.1138 6.2920 6.2920 7.0837 7.0837 7.3597 7.3597 7.4493 7.4493 7.9064 7.9064 8.3195 8.3195 9.2636 9.2636 9.6336 9.6336 9.6721 9.6721 13.5620 13.5620 14.0965 14.0965 14.1462 14.1462 15.9499 15.9499 k =-0.2232 0.2227 0.5029 ( 2746 PWs) bands (ev): -46.1175 -46.1175 -22.8350 -22.8350 -22.1848 -22.1848 -22.1775 -22.1775 -14.2154 -14.2154 -6.3398 -6.3398 -5.7536 -5.7536 -5.6336 -5.6336 -0.9346 -0.9346 0.8091 0.8091 1.0900 1.0900 6.2870 6.2870 7.0749 7.0749 7.3301 7.3301 7.4175 7.4175 7.8991 7.8991 8.2740 8.2740 9.2837 9.2837 9.6642 9.6642 9.7153 9.7153 13.6170 13.6170 14.1133 14.1133 14.1620 14.1620 16.0392 16.0392 k =-0.2321 0.2316 0.5029 ( 2738 PWs) bands (ev): -46.1175 -46.1175 -22.8357 -22.8357 -22.1851 -22.1851 -22.1789 -22.1789 -14.2115 -14.2115 -6.3098 -6.3098 -5.7482 -5.7482 -5.6370 -5.6370 -0.9547 -0.9547 0.7792 0.7792 1.0639 1.0639 6.2820 6.2820 7.0715 7.0715 7.2980 7.2980 7.3838 7.3838 7.8921 7.8921 8.2331 8.2331 9.3075 9.3075 9.6935 9.6935 9.7577 9.7577 13.6714 13.6714 14.1308 14.1308 14.1788 14.1788 16.1280 16.1280 k =-0.2411 0.2405 0.5029 ( 2742 PWs) bands (ev): -46.1174 -46.1174 -22.8364 -22.8364 -22.1855 -22.1855 -22.1803 -22.1803 -14.2075 -14.2075 -6.2793 -6.2793 -5.7428 -5.7428 -5.6398 -5.6398 -0.9756 -0.9756 0.7492 0.7492 1.0356 1.0356 6.2769 6.2769 7.0732 7.0732 7.2634 7.2634 7.3484 7.3484 7.8853 7.8853 8.1971 8.1971 9.3347 9.3347 9.7220 9.7220 9.7990 9.7990 13.7251 13.7251 14.1490 14.1490 14.1965 14.1965 16.2161 16.2161 k =-0.2500 0.2494 0.5029 ( 2740 PWs) bands (ev): -46.1174 -46.1174 -22.8372 -22.8372 -22.1858 -22.1858 -22.1816 -22.1816 -14.2036 -14.2036 -6.2484 -6.2484 -5.7374 -5.7374 -5.6420 -5.6420 -0.9972 -0.9972 0.7190 0.7190 1.0052 1.0052 6.2717 6.2717 7.0797 7.0797 7.2268 7.2268 7.3115 7.3115 7.8787 7.8787 8.1661 8.1661 9.3650 9.3650 9.7498 9.7498 9.8388 9.8388 13.7780 13.7780 14.1678 14.1678 14.2150 14.2150 16.3031 16.3031 k =-0.2589 0.2583 0.5029 ( 2740 PWs) bands (ev): -46.1173 -46.1173 -22.8380 -22.8380 -22.1862 -22.1862 -22.1830 -22.1830 -14.1997 -14.1997 -6.2173 -6.2173 -5.7319 -5.7319 -5.6437 -5.6437 -1.0194 -1.0194 0.6888 0.6888 0.9728 0.9728 6.2662 6.2662 7.0900 7.0900 7.1892 7.1892 7.2735 7.2735 7.8722 7.8722 8.1401 8.1401 9.3980 9.3980 9.7772 9.7772 9.8772 9.8772 13.8299 13.8299 14.1871 14.1871 14.2342 14.2342 16.3886 16.3886 k =-0.2679 0.2672 0.5029 ( 2742 PWs) bands (ev): -46.1173 -46.1173 -22.8387 -22.8387 -22.1865 -22.1865 -22.1844 -22.1844 -14.1958 -14.1958 -6.1860 -6.1860 -5.7264 -5.7264 -5.6447 -5.6447 -1.0421 -1.0421 0.6587 0.6587 0.9385 0.9385 6.2603 6.2603 7.1001 7.1001 7.1546 7.1546 7.2347 7.2347 7.8661 7.8661 8.1189 8.1189 9.4336 9.4336 9.8041 9.8041 9.9140 9.9140 13.8807 13.8807 14.2069 14.2069 14.2542 14.2542 16.4722 16.4722 k =-0.2768 0.2762 0.5029 ( 2742 PWs) bands (ev): -46.1172 -46.1172 -22.8395 -22.8395 -22.1869 -22.1869 -22.1857 -22.1857 -14.1920 -14.1920 -6.1546 -6.1546 -5.7210 -5.7210 -5.6450 -5.6450 -1.0653 -1.0653 0.6288 0.6288 0.9026 0.9026 6.2539 6.2539 7.0881 7.0881 7.1451 7.1451 7.1954 7.1954 7.8605 7.8605 8.1020 8.1020 9.4712 9.4712 9.8307 9.8307 9.9492 9.9492 13.9303 13.9303 14.2271 14.2271 14.2747 14.2747 16.5534 16.5534 k =-0.2857 0.2851 0.5029 ( 2734 PWs) bands (ev): -46.1172 -46.1172 -22.8402 -22.8402 -22.1873 -22.1873 -22.1869 -22.1869 -14.1882 -14.1882 -6.1232 -6.1232 -5.7156 -5.7156 -5.6448 -5.6448 -1.0889 -1.0889 0.5992 0.5992 0.8653 0.8653 6.2469 6.2469 7.0513 7.0513 7.1558 7.1558 7.1635 7.1635 7.8556 7.8556 8.0889 8.0889 9.5108 9.5108 9.8570 9.8570 9.9828 9.9828 13.9787 13.9787 14.2475 14.2475 14.2957 14.2957 16.6318 16.6318 k =-0.2946 0.2940 0.5029 ( 2734 PWs) bands (ev): -46.1171 -46.1171 -22.8409 -22.8409 -22.1885 -22.1885 -22.1874 -22.1874 -14.1845 -14.1845 -6.0919 -6.0919 -5.7102 -5.7102 -5.6440 -5.6440 -1.1127 -1.1127 0.5700 0.5700 0.8268 0.8268 6.2391 6.2391 7.0097 7.0097 7.1163 7.1163 7.1898 7.1898 7.8517 7.8517 8.0792 8.0792 9.5518 9.5518 9.8831 9.8831 10.0147 10.0147 14.0258 14.0258 14.2681 14.2681 14.3170 14.3170 16.7068 16.7068 k =-0.3036 0.3029 0.5029 ( 2734 PWs) bands (ev): -46.1170 -46.1170 -22.8416 -22.8416 -22.1897 -22.1897 -22.1878 -22.1878 -14.1808 -14.1808 -6.0608 -6.0608 -5.7049 -5.7049 -5.6426 -5.6426 -1.1368 -1.1368 0.5413 0.5413 0.7874 0.7874 6.2303 6.2303 6.9676 6.9676 7.0770 7.0770 7.2201 7.2201 7.8490 7.8490 8.0724 8.0724 9.5941 9.5941 9.9091 9.9091 10.0450 10.0450 14.0714 14.0714 14.2889 14.2889 14.3387 14.3387 16.7778 16.7778 k =-0.3125 0.3118 0.5029 ( 2734 PWs) bands (ev): -46.1170 -46.1170 -22.8423 -22.8423 -22.1910 -22.1910 -22.1881 -22.1881 -14.1772 -14.1772 -6.0300 -6.0300 -5.6997 -5.6997 -5.6407 -5.6407 -1.1610 -1.1610 0.5132 0.5132 0.7474 0.7474 6.2205 6.2205 6.9260 6.9260 7.0382 7.0382 7.2529 7.2529 7.8478 7.8478 8.0678 8.0678 9.6373 9.6373 9.9350 9.9350 10.0736 10.0736 14.1156 14.1156 14.3096 14.3096 14.3604 14.3604 16.8442 16.8442 k =-0.3214 0.3207 0.5029 ( 2738 PWs) bands (ev): -46.1170 -46.1170 -22.8431 -22.8431 -22.1923 -22.1923 -22.1885 -22.1885 -14.1737 -14.1737 -5.9997 -5.9997 -5.6946 -5.6946 -5.6383 -5.6383 -1.1851 -1.1851 0.4857 0.4857 0.7070 0.7070 6.2094 6.2094 6.8859 6.8859 7.0001 7.0001 7.2876 7.2876 7.8483 7.8483 8.0653 8.0653 9.6811 9.6811 9.9607 9.9607 10.1005 10.1005 14.1582 14.1582 14.3303 14.3303 14.3822 14.3822 16.9050 16.9050 k =-0.3304 0.3296 0.5029 ( 2730 PWs) bands (ev): -46.1169 -46.1169 -22.8437 -22.8437 -22.1934 -22.1934 -22.1887 -22.1887 -14.1703 -14.1703 -5.9699 -5.9699 -5.6896 -5.6896 -5.6354 -5.6354 -1.2092 -1.2092 0.4590 0.4590 0.6666 0.6666 6.1969 6.1969 6.8477 6.8477 6.9628 6.9628 7.3233 7.3233 7.8506 7.8506 8.0642 8.0642 9.7252 9.7252 9.9865 9.9865 10.1258 10.1258 14.1992 14.1992 14.3508 14.3508 14.4039 14.4039 16.9595 16.9595 k =-0.3393 0.3385 0.5029 ( 2738 PWs) bands (ev): -46.1169 -46.1169 -22.8444 -22.8444 -22.1947 -22.1947 -22.1891 -22.1891 -14.1670 -14.1670 -5.9407 -5.9407 -5.6847 -5.6847 -5.6322 -5.6322 -1.2330 -1.2330 0.4331 0.4331 0.6263 0.6263 6.1830 6.1830 6.8119 6.8119 6.9265 6.9265 7.3593 7.3593 7.8550 7.8550 8.0645 8.0645 9.7693 9.7693 10.0121 10.0121 10.1495 10.1495 14.2385 14.2385 14.3711 14.3711 14.4253 14.4253 17.0068 17.0068 k =-0.3482 0.3474 0.5029 ( 2738 PWs) bands (ev): -46.1168 -46.1168 -22.8450 -22.8450 -22.1958 -22.1958 -22.1893 -22.1893 -14.1638 -14.1638 -5.9123 -5.9123 -5.6799 -5.6799 -5.6285 -5.6285 -1.2565 -1.2565 0.4081 0.4081 0.5865 0.5865 6.1676 6.1676 6.7789 6.7789 6.8915 6.8915 7.3949 7.3949 7.8617 7.8617 8.0657 8.0657 9.8131 9.8131 10.0376 10.0376 10.1717 10.1717 14.2762 14.2762 14.3910 14.3910 14.4464 14.4464 17.0460 17.0460 k =-0.3571 0.3563 0.5029 ( 2742 PWs) bands (ev): -46.1168 -46.1168 -22.8457 -22.8457 -22.1969 -22.1969 -22.1896 -22.1896 -14.1608 -14.1608 -5.8848 -5.8848 -5.6753 -5.6753 -5.6246 -5.6246 -1.2796 -1.2796 0.3841 0.3841 0.5475 0.5475 6.1508 6.1508 6.7488 6.7488 6.8577 6.8577 7.4293 7.4293 7.8708 7.8708 8.0677 8.0677 9.8564 9.8564 10.0630 10.0630 10.1923 10.1923 14.3120 14.3120 14.4104 14.4104 14.4670 14.4670 17.0765 17.0765 k =-0.3661 0.3652 0.5029 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8463 -22.8463 -22.1980 -22.1980 -22.1899 -22.1899 -14.1579 -14.1579 -5.8583 -5.8583 -5.6709 -5.6709 -5.6204 -5.6204 -1.3021 -1.3021 0.3612 0.3612 0.5095 0.5095 6.1327 6.1327 6.7218 6.7218 6.8255 6.8255 7.4619 7.4619 7.8825 7.8825 8.0703 8.0703 9.8988 9.8988 10.0882 10.0882 10.2114 10.2114 14.3461 14.3461 14.4293 14.4293 14.4870 14.4870 17.0980 17.0980 k =-0.3750 0.3741 0.5029 ( 2748 PWs) bands (ev): -46.1167 -46.1167 -22.8468 -22.8468 -22.1990 -22.1990 -22.1902 -22.1902 -14.1552 -14.1552 -5.8328 -5.8328 -5.6667 -5.6667 -5.6160 -5.6160 -1.3239 -1.3239 0.3394 0.3394 0.4727 0.4727 6.1135 6.1135 6.6979 6.6979 6.7948 6.7948 7.4920 7.4920 7.8966 7.8966 8.0734 8.0734 9.9400 9.9400 10.1131 10.1131 10.2291 10.2291 14.3783 14.3783 14.4476 14.4476 14.5062 14.5062 17.1106 17.1106 k =-0.3839 0.3831 0.5029 ( 2740 PWs) bands (ev): -46.1167 -46.1167 -22.8473 -22.8473 -22.1998 -22.1998 -22.1904 -22.1904 -14.1526 -14.1526 -5.8086 -5.8086 -5.6626 -5.6626 -5.6116 -5.6116 -1.3449 -1.3449 0.3188 0.3188 0.4375 0.4375 6.0936 6.0936 6.6770 6.6770 6.7658 6.7658 7.5192 7.5192 7.9133 7.9133 8.0767 8.0767 9.9799 9.9799 10.1377 10.1377 10.2453 10.2453 14.4086 14.4086 14.4651 14.4651 14.5247 14.5247 17.1150 17.1150 k =-0.3929 0.3920 0.5029 ( 2744 PWs) bands (ev): -46.1166 -46.1166 -22.8478 -22.8478 -22.2007 -22.2007 -22.1906 -22.1906 -14.1502 -14.1502 -5.7857 -5.7857 -5.6587 -5.6587 -5.6070 -5.6070 -1.3650 -1.3650 0.2995 0.2995 0.4040 0.4040 6.0733 6.0733 6.6588 6.6588 6.7386 6.7386 7.5433 7.5433 7.9321 7.9321 8.0803 8.0803 10.0181 10.0181 10.1617 10.1617 10.2601 10.2601 14.4369 14.4369 14.4818 14.4818 14.5422 14.5422 17.1124 17.1124 k =-0.4018 0.4009 0.5029 ( 2748 PWs) bands (ev): -46.1166 -46.1166 -22.8483 -22.8483 -22.2016 -22.2016 -22.1908 -22.1908 -14.1479 -14.1479 -5.7643 -5.7643 -5.6551 -5.6551 -5.6025 -5.6025 -1.3840 -1.3840 0.2814 0.2814 0.3724 0.3724 6.0530 6.0530 6.6433 6.6433 6.7133 6.7133 7.5642 7.5642 7.9526 7.9526 8.0839 8.0839 10.0544 10.0544 10.1850 10.1850 10.2737 10.2737 14.4631 14.4631 14.4976 14.4976 14.5587 14.5587 17.1041 17.1041 k =-0.4107 0.4098 0.5029 ( 2744 PWs) bands (ev): -46.1166 -46.1166 -22.8487 -22.8487 -22.2023 -22.2023 -22.1910 -22.1910 -14.1458 -14.1458 -5.7444 -5.7444 -5.6517 -5.6517 -5.5981 -5.5981 -1.4019 -1.4019 0.2647 0.2647 0.3431 0.3431 6.0330 6.0330 6.6301 6.6301 6.6899 6.6899 7.5820 7.5820 7.9741 7.9741 8.0875 8.0875 10.0885 10.0885 10.2074 10.2074 10.2859 10.2859 14.4873 14.4873 14.5124 14.5124 14.5741 14.5741 17.0917 17.0917 k =-0.4196 0.4187 0.5029 ( 2744 PWs) bands (ev): -46.1165 -46.1165 -22.8491 -22.8491 -22.2030 -22.2030 -22.1912 -22.1912 -14.1439 -14.1439 -5.7262 -5.7262 -5.6484 -5.6484 -5.5939 -5.5939 -1.4185 -1.4185 0.2493 0.2493 0.3160 0.3160 6.0138 6.0138 6.6189 6.6189 6.6686 6.6686 7.5971 7.5971 7.9961 7.9961 8.0911 8.0911 10.1202 10.1202 10.2288 10.2288 10.2968 10.2968 14.5091 14.5091 14.5264 14.5264 14.5882 14.5882 17.0766 17.0766 k =-0.4286 0.4276 0.5029 ( 2744 PWs) bands (ev): -46.1165 -46.1165 -22.8495 -22.8495 -22.2036 -22.2036 -22.1914 -22.1914 -14.1422 -14.1422 -5.7097 -5.7097 -5.6454 -5.6454 -5.5899 -5.5899 -1.4337 -1.4337 0.2354 0.2354 0.2915 0.2915 5.9956 5.9956 6.6095 6.6095 6.6493 6.6493 7.6096 7.6096 8.0177 8.0177 8.0944 8.0944 10.1492 10.1492 10.2487 10.2487 10.3066 10.3066 14.5284 14.5284 14.5396 14.5396 14.6011 14.6011 17.0601 17.0601 k =-0.4375 0.4365 0.5029 ( 2748 PWs) bands (ev): -46.1165 -46.1165 -22.8498 -22.8498 -22.2042 -22.2042 -22.1915 -22.1915 -14.1407 -14.1407 -5.6951 -5.6951 -5.6426 -5.6426 -5.5861 -5.5861 -1.4474 -1.4474 0.2228 0.2228 0.2696 0.2696 5.9789 5.9789 6.6018 6.6018 6.6322 6.6322 7.6199 7.6199 8.0384 8.0384 8.0976 8.0976 10.1753 10.1753 10.2671 10.2671 10.3152 10.3152 14.5442 14.5442 14.5527 14.5527 14.6126 14.6126 17.0432 17.0432 k =-0.4464 0.4454 0.5029 ( 2764 PWs) bands (ev): -46.1165 -46.1165 -22.8501 -22.8501 -22.2047 -22.2047 -22.1917 -22.1917 -14.1394 -14.1394 -5.6825 -5.6825 -5.6400 -5.6400 -5.5827 -5.5827 -1.4595 -1.4595 0.2117 0.2117 0.2506 0.2506 5.9638 5.9638 6.5955 6.5955 6.6172 6.6172 7.6283 7.6283 8.0574 8.0574 8.1004 8.1004 10.1984 10.1984 10.2836 10.2836 10.3226 10.3226 14.5562 14.5562 14.5662 14.5662 14.6227 14.6227 17.0270 17.0270 k =-0.4554 0.4543 0.5029 ( 2780 PWs) bands (ev): -46.1165 -46.1165 -22.8505 -22.8505 -22.2052 -22.2052 -22.1918 -22.1918 -14.1382 -14.1382 -5.6720 -5.6720 -5.6374 -5.6374 -5.5797 -5.5797 -1.4699 -1.4699 0.2020 0.2020 0.2346 0.2346 5.9507 5.9507 6.5904 6.5904 6.6045 6.6045 7.6351 7.6351 8.0743 8.0743 8.1030 8.1030 10.2182 10.2182 10.2980 10.2980 10.3290 10.3290 14.5654 14.5654 14.5787 14.5787 14.6314 14.6314 17.0121 17.0121 k =-0.4643 0.4632 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8507 -22.8507 -22.2056 -22.2056 -22.1920 -22.1920 -14.1373 -14.1373 -5.6637 -5.6637 -5.6351 -5.6351 -5.5772 -5.5772 -1.4785 -1.4785 0.1938 0.1938 0.2216 0.2216 5.9397 5.9397 6.5864 6.5864 6.5941 6.5941 7.6403 7.6403 8.0886 8.0886 8.1052 8.1052 10.2346 10.2346 10.3100 10.3100 10.3343 10.3343 14.5727 14.5727 14.5893 14.5893 14.6385 14.6385 16.9991 16.9991 k =-0.4732 0.4721 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8509 -22.8509 -22.2059 -22.2059 -22.1921 -22.1921 -14.1366 -14.1366 -5.6576 -5.6576 -5.6328 -5.6328 -5.5752 -5.5752 -1.4853 -1.4853 0.1871 0.1871 0.2117 0.2117 5.9310 5.9310 6.5834 6.5834 6.5859 6.5859 7.6443 7.6443 8.0996 8.0996 8.1074 8.1074 10.2475 10.2475 10.3194 10.3194 10.3386 10.3386 14.5783 14.5783 14.5976 14.5976 14.6441 14.6441 16.9886 16.9886 k =-0.4821 0.4810 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8510 -22.8510 -22.2061 -22.2061 -22.1922 -22.1922 -14.1361 -14.1361 -5.6535 -5.6535 -5.6309 -5.6309 -5.5737 -5.5737 -1.4901 -1.4901 0.1821 0.1821 0.2049 0.2049 5.9247 5.9247 6.5801 6.5801 6.5813 6.5813 7.6471 7.6471 8.1056 8.1056 8.1111 8.1111 10.2568 10.2568 10.3260 10.3260 10.3419 10.3419 14.5824 14.5824 14.6037 14.6037 14.6481 14.6481 16.9808 16.9808 k =-0.4911 0.4899 0.5029 ( 2800 PWs) bands (ev): -46.1165 -46.1165 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1358 -14.1358 -5.6511 -5.6511 -5.6296 -5.6296 -5.5728 -5.5728 -1.4931 -1.4931 0.1789 0.1789 0.2008 0.2008 5.9208 5.9208 6.5766 6.5766 6.5801 6.5801 7.6487 7.6487 8.1073 8.1073 8.1152 8.1152 10.2624 10.2624 10.3299 10.3299 10.3440 10.3440 14.5848 14.5848 14.6073 14.6073 14.6506 14.6506 16.9760 16.9760 k =-0.5000 0.4989 0.5029 ( 2800 PWs) bands (ev): -46.1164 -46.1164 -22.8511 -22.8511 -22.2062 -22.2062 -22.1922 -22.1922 -14.1357 -14.1357 -5.6504 -5.6504 -5.6292 -5.6292 -5.5725 -5.5725 -1.4941 -1.4941 0.1779 0.1779 0.1995 0.1995 5.9196 5.9196 6.5754 6.5754 6.5797 6.5797 7.6492 7.6492 8.1077 8.1077 8.1167 8.1167 10.2643 10.2643 10.3312 10.3312 10.3448 10.3448 14.5856 14.5856 14.6085 14.6085 14.6514 14.6514 16.9744 16.9744 Writing output data file BaTiO3.save init_run : 4.05s CPU 13.36s WALL ( 1 calls) electrons : 740.39s CPU 748.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 740.37s CPU 748.34s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.64s WALL ( 1 calls) newd : 0.40s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 478 calls) cegterg : 710.40s CPU 715.62s WALL ( 1245 calls) Called by sum_band: Called by *egterg: h_psi : 266.55s CPU 278.39s WALL ( 21312 calls) s_psi : 30.59s CPU 31.11s WALL ( 21312 calls) g_psi : 0.65s CPU 0.69s WALL ( 19589 calls) cdiaghg : 306.02s CPU 301.04s WALL ( 20067 calls) cegterg:over : 63.05s CPU 59.61s WALL ( 19589 calls) cegterg:upda : 7.77s CPU 11.99s WALL ( 19589 calls) cegterg:last : 8.25s CPU 9.43s WALL ( 3176 calls) Called by h_psi: h_psi:vloc : 205.84s CPU 216.03s WALL ( 21312 calls) h_psi:vnl : 60.46s CPU 61.61s WALL ( 21312 calls) add_vuspsi : 18.41s CPU 22.97s WALL ( 21312 calls) General routines calbec : 41.99s CPU 38.50s WALL ( 21312 calls) fft : 0.17s CPU 1.10s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 191.75s CPU 197.94s WALL ( 1765968 calls) interpolate : 0.15s CPU 0.17s WALL ( 4 calls) davcio : 0.04s CPU 1.18s WALL ( 956 calls) Parallel routines fft_scatter : 137.65s CPU 141.06s WALL ( 1765991 calls) PWSCF : 13m22.53s CPU 14m54.67s WALL This run was terminated on: 1:33:14 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=