Program PWSCF v.5.1.1 starts on 10Oct2015 at 22:56:28 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 2112 445 76 Max 55 20 7 2119 470 80 Sum 2625 949 293 101521 22083 3727 bravais-lattice index = 14 lattice parameter (alat) = 7.5950 a.u. unit-cell volume = 435.5846 (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)= 7.594976 celldm(2)= 1.000000 celldm(3)= 0.994248 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.002416 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.002416 0.999997 0.000000 ) a(3) = ( 0.000000 0.000000 0.994248 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.002416 -0.000000 ) b(2) = ( 0.000000 1.000003 -0.000000 ) b(3) = ( 0.000000 0.000000 1.005785 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089071 0.0089286 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178141 0.0178572 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0267212 0.0267858 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0356282 0.0357144 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0445353 0.0446430 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0534423 0.0535716 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0623494 0.0625002 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0712564 0.0714288 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0801635 0.0803574 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890705 0.0892860 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0979776 0.0982146 -0.0000000), wk = 0.0021008 k( 13) = ( 0.1068847 0.1071432 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1157917 0.1160718 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1246988 0.1250004 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1336058 0.1339290 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1425129 0.1428576 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1514199 0.1517862 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1603270 0.1607148 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1692340 0.1696433 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1781411 0.1785720 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1870482 0.1875005 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1959552 0.1964291 -0.0000000), wk = 0.0021008 k( 24) = ( 0.2048623 0.2053577 -0.0000000), wk = 0.0021008 k( 25) = ( 0.2137693 0.2142863 -0.0000000), wk = 0.0021008 k( 26) = ( 0.2226764 0.2232149 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2315834 0.2321435 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2404905 0.2410721 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2493975 0.2500007 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2583046 0.2589293 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2672117 0.2678579 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2761187 0.2767865 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2850258 0.2857151 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2939328 0.2946437 -0.0000000), wk = 0.0021008 k( 35) = ( 0.3028399 0.3035723 -0.0000000), wk = 0.0021008 k( 36) = ( 0.3117469 0.3125009 -0.0000000), wk = 0.0021008 k( 37) = ( 0.3206540 0.3214295 -0.0000000), wk = 0.0021008 k( 38) = ( 0.3295611 0.3303581 -0.0000000), wk = 0.0021008 k( 39) = ( 0.3384681 0.3392867 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3473752 0.3482153 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3562822 0.3571439 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3651893 0.3660725 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3740963 0.3750011 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3830034 0.3839297 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3919104 0.3928583 -0.0000000), wk = 0.0021008 k( 46) = ( 0.4008175 0.4017869 -0.0000000), wk = 0.0021008 k( 47) = ( 0.4097246 0.4107155 -0.0000000), wk = 0.0021008 k( 48) = ( 0.4186316 0.4196441 -0.0000000), wk = 0.0021008 k( 49) = ( 0.4275387 0.4285727 -0.0000000), wk = 0.0021008 k( 50) = ( 0.4364457 0.4375013 -0.0000000), wk = 0.0021008 k( 51) = ( 0.4453528 0.4464299 -0.0000000), wk = 0.0021008 k( 52) = ( 0.4542598 0.4553585 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4631669 0.4642871 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4720739 0.4732157 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4809810 0.4821443 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4898881 0.4910729 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4987951 0.5000015 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4987951 0.5000015 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4860055 0.5000015 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4732159 0.5000015 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4604262 0.5000015 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4476366 0.5000015 -0.0000000), wk = 0.0021008 k( 63) = ( 0.4348470 0.5000015 -0.0000000), wk = 0.0021008 k( 64) = ( 0.4220574 0.5000015 -0.0000000), wk = 0.0021008 k( 65) = ( 0.4092678 0.5000015 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3964782 0.5000015 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3836885 0.5000015 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3708989 0.5000015 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3581093 0.5000015 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3453197 0.5000015 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3325301 0.5000015 -0.0000000), wk = 0.0021008 k( 72) = ( 0.3197405 0.5000015 -0.0000000), wk = 0.0021008 k( 73) = ( 0.3069508 0.5000015 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2941612 0.5000015 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2813716 0.5000015 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2685820 0.5000015 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2557924 0.5000015 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2430027 0.5000015 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2302131 0.5000015 -0.0000000), wk = 0.0021008 k( 80) = ( 0.2174235 0.5000015 -0.0000000), wk = 0.0021008 k( 81) = ( 0.2046339 0.5000015 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1918443 0.5000015 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1790547 0.5000015 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1662650 0.5000015 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1534754 0.5000015 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406858 0.5000015 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1278962 0.5000015 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1151066 0.5000015 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1023169 0.5000015 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0895273 0.5000015 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0767377 0.5000015 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0639481 0.5000015 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0511585 0.5000015 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0383689 0.5000015 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0255792 0.5000015 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0127896 0.5000015 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000015 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000015 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000015 0.0125723), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000015 0.0251446), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000015 0.0377170), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000015 0.0502893), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000015 0.0628616), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000015 0.0754339), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000015 0.0880062), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000015 0.1005785), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000015 0.1131509), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000015 0.1257232), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000015 0.1382955), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000015 0.1508678), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000015 0.1634401), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000015 0.1760124), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000015 0.1885848), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000015 0.2011571), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000015 0.2137294), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000015 0.2263017), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000015 0.2388740), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000015 0.2514463), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000015 0.2640187), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000015 0.2765910), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000015 0.2891633), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000015 0.3017356), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000015 0.3143079), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000015 0.3268803), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000015 0.3394526), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000015 0.3520249), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000015 0.3645972), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000015 0.3771695), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000015 0.3897418), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000015 0.4023142), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000015 0.4148865), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000015 0.4274588), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000015 0.4400311), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000015 0.4526034), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000015 0.4651757), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000015 0.4777481), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000015 0.4903204), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000015 0.5028927), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000015 0.5028927), wk = 0.0021008 k( 140) = ( 0.0127896 0.5000015 0.5028927), wk = 0.0021008 k( 141) = ( 0.0255792 0.5000015 0.5028927), wk = 0.0021008 k( 142) = ( 0.0383689 0.5000015 0.5028927), wk = 0.0021008 k( 143) = ( 0.0511585 0.5000015 0.5028927), wk = 0.0021008 k( 144) = ( 0.0639481 0.5000015 0.5028927), wk = 0.0021008 k( 145) = ( 0.0767377 0.5000015 0.5028927), wk = 0.0021008 k( 146) = ( 0.0895273 0.5000015 0.5028927), wk = 0.0021008 k( 147) = ( 0.1023169 0.5000015 0.5028927), wk = 0.0021008 k( 148) = ( 0.1151066 0.5000015 0.5028927), wk = 0.0021008 k( 149) = ( 0.1278962 0.5000015 0.5028927), wk = 0.0021008 k( 150) = ( 0.1406858 0.5000015 0.5028927), wk = 0.0021008 k( 151) = ( 0.1534754 0.5000015 0.5028927), wk = 0.0021008 k( 152) = ( 0.1662650 0.5000015 0.5028927), wk = 0.0021008 k( 153) = ( 0.1790547 0.5000015 0.5028927), wk = 0.0021008 k( 154) = ( 0.1918443 0.5000015 0.5028927), wk = 0.0021008 k( 155) = ( 0.2046339 0.5000015 0.5028927), wk = 0.0021008 k( 156) = ( 0.2174235 0.5000015 0.5028927), wk = 0.0021008 k( 157) = ( 0.2302131 0.5000015 0.5028927), wk = 0.0021008 k( 158) = ( 0.2430027 0.5000015 0.5028927), wk = 0.0021008 k( 159) = ( 0.2557924 0.5000015 0.5028927), wk = 0.0021008 k( 160) = ( 0.2685820 0.5000015 0.5028927), wk = 0.0021008 k( 161) = ( 0.2813716 0.5000015 0.5028927), wk = 0.0021008 k( 162) = ( 0.2941612 0.5000015 0.5028927), wk = 0.0021008 k( 163) = ( 0.3069508 0.5000015 0.5028927), wk = 0.0021008 k( 164) = ( 0.3197405 0.5000015 0.5028927), wk = 0.0021008 k( 165) = ( 0.3325301 0.5000015 0.5028927), wk = 0.0021008 k( 166) = ( 0.3453197 0.5000015 0.5028927), wk = 0.0021008 k( 167) = ( 0.3581093 0.5000015 0.5028927), wk = 0.0021008 k( 168) = ( 0.3708989 0.5000015 0.5028927), wk = 0.0021008 k( 169) = ( 0.3836885 0.5000015 0.5028927), wk = 0.0021008 k( 170) = ( 0.3964782 0.5000015 0.5028927), wk = 0.0021008 k( 171) = ( 0.4092678 0.5000015 0.5028927), wk = 0.0021008 k( 172) = ( 0.4220574 0.5000015 0.5028927), wk = 0.0021008 k( 173) = ( 0.4348470 0.5000015 0.5028927), wk = 0.0021008 k( 174) = ( 0.4476366 0.5000015 0.5028927), wk = 0.0021008 k( 175) = ( 0.4604262 0.5000015 0.5028927), wk = 0.0021008 k( 176) = ( 0.4732159 0.5000015 0.5028927), wk = 0.0021008 k( 177) = ( 0.4860055 0.5000015 0.5028927), wk = 0.0021008 k( 178) = ( 0.4987951 0.5000015 0.5028927), wk = 0.0021008 k( 179) = ( 0.4987951 0.5000015 0.5028927), wk = 0.0021008 k( 180) = ( 0.4898881 0.4910729 0.5028927), wk = 0.0021008 k( 181) = ( 0.4809810 0.4821443 0.5028927), wk = 0.0021008 k( 182) = ( 0.4720739 0.4732157 0.5028927), wk = 0.0021008 k( 183) = ( 0.4631669 0.4642871 0.5028927), wk = 0.0021008 k( 184) = ( 0.4542598 0.4553585 0.5028927), wk = 0.0021008 k( 185) = ( 0.4453528 0.4464299 0.5028927), wk = 0.0021008 k( 186) = ( 0.4364457 0.4375013 0.5028927), wk = 0.0021008 k( 187) = ( 0.4275387 0.4285727 0.5028927), wk = 0.0021008 k( 188) = ( 0.4186316 0.4196441 0.5028927), wk = 0.0021008 k( 189) = ( 0.4097246 0.4107155 0.5028927), wk = 0.0021008 k( 190) = ( 0.4008175 0.4017869 0.5028927), wk = 0.0021008 k( 191) = ( 0.3919104 0.3928583 0.5028927), wk = 0.0021008 k( 192) = ( 0.3830034 0.3839297 0.5028927), wk = 0.0021008 k( 193) = ( 0.3740963 0.3750011 0.5028927), wk = 0.0021008 k( 194) = ( 0.3651893 0.3660725 0.5028927), wk = 0.0021008 k( 195) = ( 0.3562822 0.3571439 0.5028927), wk = 0.0021008 k( 196) = ( 0.3473752 0.3482153 0.5028927), wk = 0.0021008 k( 197) = ( 0.3384681 0.3392867 0.5028927), wk = 0.0021008 k( 198) = ( 0.3295611 0.3303581 0.5028927), wk = 0.0021008 k( 199) = ( 0.3206540 0.3214295 0.5028927), wk = 0.0021008 k( 200) = ( 0.3117469 0.3125009 0.5028927), wk = 0.0021008 k( 201) = ( 0.3028399 0.3035723 0.5028927), wk = 0.0021008 k( 202) = ( 0.2939328 0.2946437 0.5028927), wk = 0.0021008 k( 203) = ( 0.2850258 0.2857151 0.5028927), wk = 0.0021008 k( 204) = ( 0.2761187 0.2767865 0.5028927), wk = 0.0021008 k( 205) = ( 0.2672117 0.2678579 0.5028927), wk = 0.0021008 k( 206) = ( 0.2583046 0.2589293 0.5028927), wk = 0.0021008 k( 207) = ( 0.2493975 0.2500007 0.5028927), wk = 0.0021008 k( 208) = ( 0.2404905 0.2410721 0.5028927), wk = 0.0021008 k( 209) = ( 0.2315834 0.2321435 0.5028927), wk = 0.0021008 k( 210) = ( 0.2226764 0.2232149 0.5028927), wk = 0.0021008 k( 211) = ( 0.2137693 0.2142863 0.5028927), wk = 0.0021008 k( 212) = ( 0.2048623 0.2053577 0.5028927), wk = 0.0021008 k( 213) = ( 0.1959552 0.1964291 0.5028927), wk = 0.0021008 k( 214) = ( 0.1870482 0.1875005 0.5028927), wk = 0.0021008 k( 215) = ( 0.1781411 0.1785720 0.5028927), wk = 0.0021008 k( 216) = ( 0.1692340 0.1696433 0.5028927), wk = 0.0021008 k( 217) = ( 0.1603270 0.1607148 0.5028927), wk = 0.0021008 k( 218) = ( 0.1514199 0.1517862 0.5028927), wk = 0.0021008 k( 219) = ( 0.1425129 0.1428576 0.5028927), wk = 0.0021008 k( 220) = ( 0.1336058 0.1339290 0.5028927), wk = 0.0021008 k( 221) = ( 0.1246988 0.1250004 0.5028927), wk = 0.0021008 k( 222) = ( 0.1157917 0.1160718 0.5028927), wk = 0.0021008 k( 223) = ( 0.1068847 0.1071432 0.5028927), wk = 0.0021008 k( 224) = ( 0.0979776 0.0982146 0.5028927), wk = 0.0021008 k( 225) = ( 0.0890705 0.0892860 0.5028927), wk = 0.0021008 k( 226) = ( 0.0801635 0.0803574 0.5028927), wk = 0.0021008 k( 227) = ( 0.0712564 0.0714288 0.5028927), wk = 0.0021008 k( 228) = ( 0.0623494 0.0625002 0.5028927), wk = 0.0021008 k( 229) = ( 0.0534423 0.0535716 0.5028927), wk = 0.0021008 k( 230) = ( 0.0445353 0.0446430 0.5028927), wk = 0.0021008 k( 231) = ( 0.0356282 0.0357144 0.5028927), wk = 0.0021008 k( 232) = ( 0.0267212 0.0267858 0.5028927), wk = 0.0021008 k( 233) = ( 0.0178141 0.0178572 0.5028927), wk = 0.0021008 k( 234) = ( 0.0089071 0.0089286 0.5028927), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5028927), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5028927), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4903204), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4777481), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4651757), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4526034), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4400311), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4274588), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4148865), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4023142), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3897418), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3771695), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3645972), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3520249), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3394526), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3268803), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3143079), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3017356), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2891633), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2765910), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2640187), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2514463), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2388740), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2263017), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2137294), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2011571), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1885848), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1760124), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1634401), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1508678), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1382955), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1257232), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1131509), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1005785), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0880062), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0754339), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0628616), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0502893), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0377170), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0251446), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125723), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089070 0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178141 0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267211 0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0356281 0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0445351 0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0534422 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0623492 0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0712562 0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0801633 0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0890703 0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0979773 0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1068844 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1157914 0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1246984 0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1336054 0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1425125 0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1514195 0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1603265 0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1692336 0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1781406 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1870476 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1959546 0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2048617 0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2137687 0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2226757 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2315828 0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2404898 0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2493968 0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2583039 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2672109 0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2761179 0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2850249 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2939320 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3028390 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3117460 0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3206531 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3295601 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3384671 0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3473742 0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3562812 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3651882 0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3740952 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3830023 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3919093 0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4008163 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4097234 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4186304 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4275374 0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4364444 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4453515 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4542585 0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4631655 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4720726 0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4809796 0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4898866 0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.4987936 0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.4987936 0.0000000), wk = 0.0021008 k( 335) = ( -0.4987951 0.5000015 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4987951 0.5000015 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4987951 0.5000015 0.0125723), wk = 0.0021008 k( 338) = ( -0.4987951 0.5000015 0.0251446), wk = 0.0021008 k( 339) = ( -0.4987951 0.5000015 0.0377170), wk = 0.0021008 k( 340) = ( -0.4987951 0.5000015 0.0502893), wk = 0.0021008 k( 341) = ( -0.4987951 0.5000015 0.0628616), wk = 0.0021008 k( 342) = ( -0.4987951 0.5000015 0.0754339), wk = 0.0021008 k( 343) = ( -0.4987951 0.5000015 0.0880062), wk = 0.0021008 k( 344) = ( -0.4987951 0.5000015 0.1005785), wk = 0.0021008 k( 345) = ( -0.4987951 0.5000015 0.1131509), wk = 0.0021008 k( 346) = ( -0.4987951 0.5000015 0.1257232), wk = 0.0021008 k( 347) = ( -0.4987951 0.5000015 0.1382955), wk = 0.0021008 k( 348) = ( -0.4987951 0.5000015 0.1508678), wk = 0.0021008 k( 349) = ( -0.4987951 0.5000015 0.1634401), wk = 0.0021008 k( 350) = ( -0.4987951 0.5000015 0.1760124), wk = 0.0021008 k( 351) = ( -0.4987951 0.5000015 0.1885848), wk = 0.0021008 k( 352) = ( -0.4987951 0.5000015 0.2011571), wk = 0.0021008 k( 353) = ( -0.4987951 0.5000015 0.2137294), wk = 0.0021008 k( 354) = ( -0.4987951 0.5000015 0.2263017), wk = 0.0021008 k( 355) = ( -0.4987951 0.5000015 0.2388740), wk = 0.0021008 k( 356) = ( -0.4987951 0.5000015 0.2514463), wk = 0.0021008 k( 357) = ( -0.4987951 0.5000015 0.2640187), wk = 0.0021008 k( 358) = ( -0.4987951 0.5000015 0.2765910), wk = 0.0021008 k( 359) = ( -0.4987951 0.5000015 0.2891633), wk = 0.0021008 k( 360) = ( -0.4987951 0.5000015 0.3017356), wk = 0.0021008 k( 361) = ( -0.4987951 0.5000015 0.3143079), wk = 0.0021008 k( 362) = ( -0.4987951 0.5000015 0.3268803), wk = 0.0021008 k( 363) = ( -0.4987951 0.5000015 0.3394526), wk = 0.0021008 k( 364) = ( -0.4987951 0.5000015 0.3520249), wk = 0.0021008 k( 365) = ( -0.4987951 0.5000015 0.3645972), wk = 0.0021008 k( 366) = ( -0.4987951 0.5000015 0.3771695), wk = 0.0021008 k( 367) = ( -0.4987951 0.5000015 0.3897418), wk = 0.0021008 k( 368) = ( -0.4987951 0.5000015 0.4023142), wk = 0.0021008 k( 369) = ( -0.4987951 0.5000015 0.4148865), wk = 0.0021008 k( 370) = ( -0.4987951 0.5000015 0.4274588), wk = 0.0021008 k( 371) = ( -0.4987951 0.5000015 0.4400311), wk = 0.0021008 k( 372) = ( -0.4987951 0.5000015 0.4526034), wk = 0.0021008 k( 373) = ( -0.4987951 0.5000015 0.4651757), wk = 0.0021008 k( 374) = ( -0.4987951 0.5000015 0.4777481), wk = 0.0021008 k( 375) = ( -0.4987951 0.5000015 0.4903204), wk = 0.0021008 k( 376) = ( -0.4987951 0.5000015 0.5028927), wk = 0.0021008 k( 377) = ( -0.4987951 0.5000015 0.5028927), wk = 0.0021008 k( 378) = ( -0.5000000 0.4987936 0.5028927), wk = 0.0021008 k( 379) = ( -0.5000000 0.4987936 0.5028927), wk = 0.0021008 k( 380) = ( -0.5000000 0.4987936 0.4903204), wk = 0.0021008 k( 381) = ( -0.5000000 0.4987936 0.4777481), wk = 0.0021008 k( 382) = ( -0.5000000 0.4987936 0.4651757), wk = 0.0021008 k( 383) = ( -0.5000000 0.4987936 0.4526034), wk = 0.0021008 k( 384) = ( -0.5000000 0.4987936 0.4400311), wk = 0.0021008 k( 385) = ( -0.5000000 0.4987936 0.4274588), wk = 0.0021008 k( 386) = ( -0.5000000 0.4987936 0.4148865), wk = 0.0021008 k( 387) = ( -0.5000000 0.4987936 0.4023142), wk = 0.0021008 k( 388) = ( -0.5000000 0.4987936 0.3897418), wk = 0.0021008 k( 389) = ( -0.5000000 0.4987936 0.3771695), wk = 0.0021008 k( 390) = ( -0.5000000 0.4987936 0.3645972), wk = 0.0021008 k( 391) = ( -0.5000000 0.4987936 0.3520249), wk = 0.0021008 k( 392) = ( -0.5000000 0.4987936 0.3394526), wk = 0.0021008 k( 393) = ( -0.5000000 0.4987936 0.3268803), wk = 0.0021008 k( 394) = ( -0.5000000 0.4987936 0.3143079), wk = 0.0021008 k( 395) = ( -0.5000000 0.4987936 0.3017356), wk = 0.0021008 k( 396) = ( -0.5000000 0.4987936 0.2891633), wk = 0.0021008 k( 397) = ( -0.5000000 0.4987936 0.2765910), wk = 0.0021008 k( 398) = ( -0.5000000 0.4987936 0.2640187), wk = 0.0021008 k( 399) = ( -0.5000000 0.4987936 0.2514463), wk = 0.0021008 k( 400) = ( -0.5000000 0.4987936 0.2388740), wk = 0.0021008 k( 401) = ( -0.5000000 0.4987936 0.2263017), wk = 0.0021008 k( 402) = ( -0.5000000 0.4987936 0.2137294), wk = 0.0021008 k( 403) = ( -0.5000000 0.4987936 0.2011571), wk = 0.0021008 k( 404) = ( -0.5000000 0.4987936 0.1885848), wk = 0.0021008 k( 405) = ( -0.5000000 0.4987936 0.1760124), wk = 0.0021008 k( 406) = ( -0.5000000 0.4987936 0.1634401), wk = 0.0021008 k( 407) = ( -0.5000000 0.4987936 0.1508678), wk = 0.0021008 k( 408) = ( -0.5000000 0.4987936 0.1382955), wk = 0.0021008 k( 409) = ( -0.5000000 0.4987936 0.1257232), wk = 0.0021008 k( 410) = ( -0.5000000 0.4987936 0.1131509), wk = 0.0021008 k( 411) = ( -0.5000000 0.4987936 0.1005785), wk = 0.0021008 k( 412) = ( -0.5000000 0.4987936 0.0880062), wk = 0.0021008 k( 413) = ( -0.5000000 0.4987936 0.0754339), wk = 0.0021008 k( 414) = ( -0.5000000 0.4987936 0.0628616), wk = 0.0021008 k( 415) = ( -0.5000000 0.4987936 0.0502893), wk = 0.0021008 k( 416) = ( -0.5000000 0.4987936 0.0377170), wk = 0.0021008 k( 417) = ( -0.5000000 0.4987936 0.0251446), wk = 0.0021008 k( 418) = ( -0.5000000 0.4987936 0.0125723), wk = 0.0021008 k( 419) = ( -0.5000000 0.4987936 0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5028927), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089070 0.5028927), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178141 0.5028927), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267211 0.5028927), wk = 0.0021008 k( 424) = ( -0.0357143 0.0356281 0.5028927), wk = 0.0021008 k( 425) = ( -0.0446429 0.0445351 0.5028927), wk = 0.0021008 k( 426) = ( -0.0535714 0.0534422 0.5028927), wk = 0.0021008 k( 427) = ( -0.0625000 0.0623492 0.5028927), wk = 0.0021008 k( 428) = ( -0.0714286 0.0712562 0.5028927), wk = 0.0021008 k( 429) = ( -0.0803571 0.0801633 0.5028927), wk = 0.0021008 k( 430) = ( -0.0892857 0.0890703 0.5028927), wk = 0.0021008 k( 431) = ( -0.0982143 0.0979773 0.5028927), wk = 0.0021008 k( 432) = ( -0.1071429 0.1068844 0.5028927), wk = 0.0021008 k( 433) = ( -0.1160714 0.1157914 0.5028927), wk = 0.0021008 k( 434) = ( -0.1250000 0.1246984 0.5028927), wk = 0.0021008 k( 435) = ( -0.1339286 0.1336054 0.5028927), wk = 0.0021008 k( 436) = ( -0.1428571 0.1425125 0.5028927), wk = 0.0021008 k( 437) = ( -0.1517857 0.1514195 0.5028927), wk = 0.0021008 k( 438) = ( -0.1607143 0.1603265 0.5028927), wk = 0.0021008 k( 439) = ( -0.1696429 0.1692336 0.5028927), wk = 0.0021008 k( 440) = ( -0.1785714 0.1781406 0.5028927), wk = 0.0021008 k( 441) = ( -0.1875000 0.1870476 0.5028927), wk = 0.0021008 k( 442) = ( -0.1964286 0.1959546 0.5028927), wk = 0.0021008 k( 443) = ( -0.2053571 0.2048617 0.5028927), wk = 0.0021008 k( 444) = ( -0.2142857 0.2137687 0.5028927), wk = 0.0021008 k( 445) = ( -0.2232143 0.2226757 0.5028927), wk = 0.0021008 k( 446) = ( -0.2321429 0.2315828 0.5028927), wk = 0.0021008 k( 447) = ( -0.2410714 0.2404898 0.5028927), wk = 0.0021008 k( 448) = ( -0.2500000 0.2493968 0.5028927), wk = 0.0021008 k( 449) = ( -0.2589286 0.2583039 0.5028927), wk = 0.0021008 k( 450) = ( -0.2678571 0.2672109 0.5028927), wk = 0.0021008 k( 451) = ( -0.2767857 0.2761179 0.5028927), wk = 0.0021008 k( 452) = ( -0.2857143 0.2850249 0.5028927), wk = 0.0021008 k( 453) = ( -0.2946429 0.2939320 0.5028927), wk = 0.0021008 k( 454) = ( -0.3035714 0.3028390 0.5028927), wk = 0.0021008 k( 455) = ( -0.3125000 0.3117460 0.5028927), wk = 0.0021008 k( 456) = ( -0.3214286 0.3206531 0.5028927), wk = 0.0021008 k( 457) = ( -0.3303571 0.3295601 0.5028927), wk = 0.0021008 k( 458) = ( -0.3392857 0.3384671 0.5028927), wk = 0.0021008 k( 459) = ( -0.3482143 0.3473742 0.5028927), wk = 0.0021008 k( 460) = ( -0.3571429 0.3562812 0.5028927), wk = 0.0021008 k( 461) = ( -0.3660714 0.3651882 0.5028927), wk = 0.0021008 k( 462) = ( -0.3750000 0.3740952 0.5028927), wk = 0.0021008 k( 463) = ( -0.3839286 0.3830023 0.5028927), wk = 0.0021008 k( 464) = ( -0.3928571 0.3919093 0.5028927), wk = 0.0021008 k( 465) = ( -0.4017857 0.4008163 0.5028927), wk = 0.0021008 k( 466) = ( -0.4107143 0.4097234 0.5028927), wk = 0.0021008 k( 467) = ( -0.4196429 0.4186304 0.5028927), wk = 0.0021008 k( 468) = ( -0.4285714 0.4275374 0.5028927), wk = 0.0021008 k( 469) = ( -0.4375000 0.4364444 0.5028927), wk = 0.0021008 k( 470) = ( -0.4464286 0.4453515 0.5028927), wk = 0.0021008 k( 471) = ( -0.4553571 0.4542585 0.5028927), wk = 0.0021008 k( 472) = ( -0.4642857 0.4631655 0.5028927), wk = 0.0021008 k( 473) = ( -0.4732143 0.4720726 0.5028927), wk = 0.0021008 k( 474) = ( -0.4821429 0.4809796 0.5028927), wk = 0.0021008 k( 475) = ( -0.4910714 0.4898866 0.5028927), wk = 0.0021008 k( 476) = ( -0.5000000 0.4987936 0.5028927), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0089071 0.0089071 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0178141 0.0178141 0.0000000), wk = 0.0021008 k( 4) = ( 0.0267212 0.0267212 0.0000000), wk = 0.0021008 k( 5) = ( 0.0356282 0.0356282 0.0000000), wk = 0.0021008 k( 6) = ( 0.0445353 0.0445353 0.0000000), wk = 0.0021008 k( 7) = ( 0.0534423 0.0534423 0.0000000), wk = 0.0021008 k( 8) = ( 0.0623494 0.0623494 0.0000000), wk = 0.0021008 k( 9) = ( 0.0712564 0.0712564 0.0000000), wk = 0.0021008 k( 10) = ( 0.0801635 0.0801635 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0890705 0.0890705 0.0000000), wk = 0.0021008 k( 12) = ( 0.0979776 0.0979776 0.0000000), wk = 0.0021008 k( 13) = ( 0.1068847 0.1068847 0.0000000), wk = 0.0021008 k( 14) = ( 0.1157917 0.1157917 0.0000000), wk = 0.0021008 k( 15) = ( 0.1246988 0.1246988 0.0000000), wk = 0.0021008 k( 16) = ( 0.1336058 0.1336058 0.0000000), wk = 0.0021008 k( 17) = ( 0.1425129 0.1425129 0.0000000), wk = 0.0021008 k( 18) = ( 0.1514199 0.1514199 0.0000000), wk = 0.0021008 k( 19) = ( 0.1603270 0.1603270 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1692340 0.1692340 0.0000000), wk = 0.0021008 k( 21) = ( 0.1781411 0.1781411 0.0000000), wk = 0.0021008 k( 22) = ( 0.1870482 0.1870482 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1959552 0.1959552 0.0000000), wk = 0.0021008 k( 24) = ( 0.2048623 0.2048623 0.0000000), wk = 0.0021008 k( 25) = ( 0.2137693 0.2137693 0.0000000), wk = 0.0021008 k( 26) = ( 0.2226764 0.2226764 0.0000000), wk = 0.0021008 k( 27) = ( 0.2315834 0.2315834 0.0000000), wk = 0.0021008 k( 28) = ( 0.2404905 0.2404905 0.0000000), wk = 0.0021008 k( 29) = ( 0.2493975 0.2493975 0.0000000), wk = 0.0021008 k( 30) = ( 0.2583046 0.2583046 0.0000000), wk = 0.0021008 k( 31) = ( 0.2672117 0.2672117 0.0000000), wk = 0.0021008 k( 32) = ( 0.2761187 0.2761187 0.0000000), wk = 0.0021008 k( 33) = ( 0.2850258 0.2850258 0.0000000), wk = 0.0021008 k( 34) = ( 0.2939328 0.2939328 0.0000000), wk = 0.0021008 k( 35) = ( 0.3028399 0.3028399 0.0000000), wk = 0.0021008 k( 36) = ( 0.3117469 0.3117469 0.0000000), wk = 0.0021008 k( 37) = ( 0.3206540 0.3206540 0.0000000), wk = 0.0021008 k( 38) = ( 0.3295611 0.3295611 0.0000000), wk = 0.0021008 k( 39) = ( 0.3384681 0.3384681 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3473752 0.3473752 0.0000000), wk = 0.0021008 k( 41) = ( 0.3562822 0.3562822 0.0000000), wk = 0.0021008 k( 42) = ( 0.3651893 0.3651893 0.0000000), wk = 0.0021008 k( 43) = ( 0.3740963 0.3740963 0.0000000), wk = 0.0021008 k( 44) = ( 0.3830034 0.3830034 0.0000000), wk = 0.0021008 k( 45) = ( 0.3919104 0.3919104 0.0000000), wk = 0.0021008 k( 46) = ( 0.4008175 0.4008175 0.0000000), wk = 0.0021008 k( 47) = ( 0.4097246 0.4097246 0.0000000), wk = 0.0021008 k( 48) = ( 0.4186316 0.4186316 0.0000000), wk = 0.0021008 k( 49) = ( 0.4275387 0.4275387 0.0000000), wk = 0.0021008 k( 50) = ( 0.4364457 0.4364457 0.0000000), wk = 0.0021008 k( 51) = ( 0.4453528 0.4453528 0.0000000), wk = 0.0021008 k( 52) = ( 0.4542598 0.4542598 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4631669 0.4631669 0.0000000), wk = 0.0021008 k( 54) = ( 0.4720739 0.4720739 0.0000000), wk = 0.0021008 k( 55) = ( 0.4809810 0.4809810 0.0000000), wk = 0.0021008 k( 56) = ( 0.4898881 0.4898881 0.0000000), wk = 0.0021008 k( 57) = ( 0.4987951 0.4987951 0.0000000), wk = 0.0021008 k( 58) = ( 0.4987951 0.4987951 0.0000000), wk = 0.0021008 k( 59) = ( 0.4860055 0.4988260 0.0000000), wk = 0.0021008 k( 60) = ( 0.4732159 0.4988569 0.0000000), wk = 0.0021008 k( 61) = ( 0.4604262 0.4988878 0.0000000), wk = 0.0021008 k( 62) = ( 0.4476366 0.4989187 0.0000000), wk = 0.0021008 k( 63) = ( 0.4348470 0.4989496 0.0000000), wk = 0.0021008 k( 64) = ( 0.4220574 0.4989805 0.0000000), wk = 0.0021008 k( 65) = ( 0.4092678 0.4990114 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3964782 0.4990423 0.0000000), wk = 0.0021008 k( 67) = ( 0.3836885 0.4990732 0.0000000), wk = 0.0021008 k( 68) = ( 0.3708989 0.4991041 0.0000000), wk = 0.0021008 k( 69) = ( 0.3581093 0.4991350 0.0000000), wk = 0.0021008 k( 70) = ( 0.3453197 0.4991658 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3325301 0.4991967 0.0000000), wk = 0.0021008 k( 72) = ( 0.3197405 0.4992276 0.0000000), wk = 0.0021008 k( 73) = ( 0.3069508 0.4992585 0.0000000), wk = 0.0021008 k( 74) = ( 0.2941612 0.4992894 0.0000000), wk = 0.0021008 k( 75) = ( 0.2813716 0.4993203 0.0000000), wk = 0.0021008 k( 76) = ( 0.2685820 0.4993512 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2557924 0.4993821 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2430027 0.4994130 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2302131 0.4994439 0.0000000), wk = 0.0021008 k( 80) = ( 0.2174235 0.4994748 0.0000000), wk = 0.0021008 k( 81) = ( 0.2046339 0.4995057 0.0000000), wk = 0.0021008 k( 82) = ( 0.1918443 0.4995366 0.0000000), wk = 0.0021008 k( 83) = ( 0.1790547 0.4995675 0.0000000), wk = 0.0021008 k( 84) = ( 0.1662650 0.4995984 0.0000000), wk = 0.0021008 k( 85) = ( 0.1534754 0.4996293 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1406858 0.4996602 0.0000000), wk = 0.0021008 k( 87) = ( 0.1278962 0.4996910 0.0000000), wk = 0.0021008 k( 88) = ( 0.1151066 0.4997219 -0.0000000), wk = 0.0021008 k( 89) = ( 0.1023169 0.4997528 0.0000000), wk = 0.0021008 k( 90) = ( 0.0895273 0.4997837 0.0000000), wk = 0.0021008 k( 91) = ( 0.0767377 0.4998146 0.0000000), wk = 0.0021008 k( 92) = ( 0.0639481 0.4998455 0.0000000), wk = 0.0021008 k( 93) = ( 0.0511585 0.4998764 0.0000000), wk = 0.0021008 k( 94) = ( 0.0383689 0.4999073 0.0000000), wk = 0.0021008 k( 95) = ( 0.0255792 0.4999382 0.0000000), wk = 0.0021008 k( 96) = ( 0.0127896 0.4999691 0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0021008 k( 136) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021008 k( 137) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0021008 k( 138) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 140) = ( 0.0127896 0.4999691 0.5000000), wk = 0.0021008 k( 141) = ( 0.0255792 0.4999382 0.5000000), wk = 0.0021008 k( 142) = ( 0.0383689 0.4999073 0.5000000), wk = 0.0021008 k( 143) = ( 0.0511585 0.4998764 0.5000000), wk = 0.0021008 k( 144) = ( 0.0639481 0.4998455 0.5000000), wk = 0.0021008 k( 145) = ( 0.0767377 0.4998146 0.5000000), wk = 0.0021008 k( 146) = ( 0.0895273 0.4997837 0.5000000), wk = 0.0021008 k( 147) = ( 0.1023169 0.4997528 0.5000000), wk = 0.0021008 k( 148) = ( 0.1151066 0.4997219 0.5000000), wk = 0.0021008 k( 149) = ( 0.1278962 0.4996910 0.5000000), wk = 0.0021008 k( 150) = ( 0.1406858 0.4996602 0.5000000), wk = 0.0021008 k( 151) = ( 0.1534754 0.4996293 0.5000000), wk = 0.0021008 k( 152) = ( 0.1662650 0.4995984 0.5000000), wk = 0.0021008 k( 153) = ( 0.1790547 0.4995675 0.5000000), wk = 0.0021008 k( 154) = ( 0.1918443 0.4995366 0.5000000), wk = 0.0021008 k( 155) = ( 0.2046339 0.4995057 0.5000000), wk = 0.0021008 k( 156) = ( 0.2174235 0.4994748 0.5000000), wk = 0.0021008 k( 157) = ( 0.2302131 0.4994439 0.5000000), wk = 0.0021008 k( 158) = ( 0.2430027 0.4994130 0.5000000), wk = 0.0021008 k( 159) = ( 0.2557924 0.4993821 0.5000000), wk = 0.0021008 k( 160) = ( 0.2685820 0.4993512 0.5000000), wk = 0.0021008 k( 161) = ( 0.2813716 0.4993203 0.5000000), wk = 0.0021008 k( 162) = ( 0.2941612 0.4992894 0.5000000), wk = 0.0021008 k( 163) = ( 0.3069508 0.4992585 0.5000000), wk = 0.0021008 k( 164) = ( 0.3197405 0.4992276 0.5000000), wk = 0.0021008 k( 165) = ( 0.3325301 0.4991967 0.5000000), wk = 0.0021008 k( 166) = ( 0.3453197 0.4991658 0.5000000), wk = 0.0021008 k( 167) = ( 0.3581093 0.4991350 0.5000000), wk = 0.0021008 k( 168) = ( 0.3708989 0.4991041 0.5000000), wk = 0.0021008 k( 169) = ( 0.3836885 0.4990732 0.5000000), wk = 0.0021008 k( 170) = ( 0.3964782 0.4990423 0.5000000), wk = 0.0021008 k( 171) = ( 0.4092678 0.4990114 0.5000000), wk = 0.0021008 k( 172) = ( 0.4220574 0.4989805 0.5000000), wk = 0.0021008 k( 173) = ( 0.4348470 0.4989496 0.5000000), wk = 0.0021008 k( 174) = ( 0.4476366 0.4989187 0.5000000), wk = 0.0021008 k( 175) = ( 0.4604262 0.4988878 0.5000000), wk = 0.0021008 k( 176) = ( 0.4732159 0.4988569 0.5000000), wk = 0.0021008 k( 177) = ( 0.4860055 0.4988260 0.5000000), wk = 0.0021008 k( 178) = ( 0.4987951 0.4987951 0.5000000), wk = 0.0021008 k( 179) = ( 0.4987951 0.4987951 0.5000000), wk = 0.0021008 k( 180) = ( 0.4898881 0.4898881 0.5000000), wk = 0.0021008 k( 181) = ( 0.4809810 0.4809810 0.5000000), wk = 0.0021008 k( 182) = ( 0.4720739 0.4720739 0.5000000), wk = 0.0021008 k( 183) = ( 0.4631669 0.4631669 0.5000000), wk = 0.0021008 k( 184) = ( 0.4542598 0.4542598 0.5000000), wk = 0.0021008 k( 185) = ( 0.4453528 0.4453528 0.5000000), wk = 0.0021008 k( 186) = ( 0.4364457 0.4364457 0.5000000), wk = 0.0021008 k( 187) = ( 0.4275387 0.4275387 0.5000000), wk = 0.0021008 k( 188) = ( 0.4186316 0.4186316 0.5000000), wk = 0.0021008 k( 189) = ( 0.4097246 0.4097246 0.5000000), wk = 0.0021008 k( 190) = ( 0.4008175 0.4008175 0.5000000), wk = 0.0021008 k( 191) = ( 0.3919104 0.3919104 0.5000000), wk = 0.0021008 k( 192) = ( 0.3830034 0.3830034 0.5000000), wk = 0.0021008 k( 193) = ( 0.3740963 0.3740963 0.5000000), wk = 0.0021008 k( 194) = ( 0.3651893 0.3651893 0.5000000), wk = 0.0021008 k( 195) = ( 0.3562822 0.3562822 0.5000000), wk = 0.0021008 k( 196) = ( 0.3473752 0.3473752 0.5000000), wk = 0.0021008 k( 197) = ( 0.3384681 0.3384681 0.5000000), wk = 0.0021008 k( 198) = ( 0.3295611 0.3295611 0.5000000), wk = 0.0021008 k( 199) = ( 0.3206540 0.3206540 0.5000000), wk = 0.0021008 k( 200) = ( 0.3117469 0.3117469 0.5000000), wk = 0.0021008 k( 201) = ( 0.3028399 0.3028399 0.5000000), wk = 0.0021008 k( 202) = ( 0.2939328 0.2939328 0.5000000), wk = 0.0021008 k( 203) = ( 0.2850258 0.2850258 0.5000000), wk = 0.0021008 k( 204) = ( 0.2761187 0.2761187 0.5000000), wk = 0.0021008 k( 205) = ( 0.2672117 0.2672117 0.5000000), wk = 0.0021008 k( 206) = ( 0.2583046 0.2583046 0.5000000), wk = 0.0021008 k( 207) = ( 0.2493975 0.2493975 0.5000000), wk = 0.0021008 k( 208) = ( 0.2404905 0.2404905 0.5000000), wk = 0.0021008 k( 209) = ( 0.2315834 0.2315834 0.5000000), wk = 0.0021008 k( 210) = ( 0.2226764 0.2226764 0.5000000), wk = 0.0021008 k( 211) = ( 0.2137693 0.2137693 0.5000000), wk = 0.0021008 k( 212) = ( 0.2048623 0.2048623 0.5000000), wk = 0.0021008 k( 213) = ( 0.1959552 0.1959552 0.5000000), wk = 0.0021008 k( 214) = ( 0.1870482 0.1870482 0.5000000), wk = 0.0021008 k( 215) = ( 0.1781411 0.1781411 0.5000000), wk = 0.0021008 k( 216) = ( 0.1692340 0.1692340 0.5000000), wk = 0.0021008 k( 217) = ( 0.1603270 0.1603270 0.5000000), wk = 0.0021008 k( 218) = ( 0.1514199 0.1514199 0.5000000), wk = 0.0021008 k( 219) = ( 0.1425129 0.1425129 0.5000000), wk = 0.0021008 k( 220) = ( 0.1336058 0.1336058 0.5000000), wk = 0.0021008 k( 221) = ( 0.1246988 0.1246988 0.5000000), wk = 0.0021008 k( 222) = ( 0.1157917 0.1157917 0.5000000), wk = 0.0021008 k( 223) = ( 0.1068847 0.1068847 0.5000000), wk = 0.0021008 k( 224) = ( 0.0979776 0.0979776 0.5000000), wk = 0.0021008 k( 225) = ( 0.0890705 0.0890705 0.5000000), wk = 0.0021008 k( 226) = ( 0.0801635 0.0801635 0.5000000), wk = 0.0021008 k( 227) = ( 0.0712564 0.0712564 0.5000000), wk = 0.0021008 k( 228) = ( 0.0623494 0.0623494 0.5000000), wk = 0.0021008 k( 229) = ( 0.0534423 0.0534423 0.5000000), wk = 0.0021008 k( 230) = ( 0.0445353 0.0445353 0.5000000), wk = 0.0021008 k( 231) = ( 0.0356282 0.0356282 0.5000000), wk = 0.0021008 k( 232) = ( 0.0267212 0.0267212 0.5000000), wk = 0.0021008 k( 233) = ( 0.0178141 0.0178141 0.5000000), wk = 0.0021008 k( 234) = ( 0.0089071 0.0089071 0.5000000), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0021008 k( 270) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021008 k( 271) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021008 k( 272) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021008 k( 273) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0021008 k( 274) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021008 k( 275) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0021008 k( 276) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 278) = ( -0.0089286 0.0089286 -0.0000000), wk = 0.0021008 k( 279) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0021008 k( 280) = ( -0.0267857 0.0267857 -0.0000000), wk = 0.0021008 k( 281) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0021008 k( 282) = ( -0.0446429 0.0446429 -0.0000000), wk = 0.0021008 k( 283) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0021008 k( 284) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0021008 k( 285) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0021008 k( 286) = ( -0.0803571 0.0803571 -0.0000000), wk = 0.0021008 k( 287) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0021008 k( 288) = ( -0.0982143 0.0982143 -0.0000000), wk = 0.0021008 k( 289) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0021008 k( 290) = ( -0.1160714 0.1160714 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0021008 k( 292) = ( -0.1339286 0.1339286 -0.0000000), wk = 0.0021008 k( 293) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0021008 k( 294) = ( -0.1517857 0.1517857 -0.0000000), wk = 0.0021008 k( 295) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0021008 k( 296) = ( -0.1696429 0.1696429 -0.0000000), wk = 0.0021008 k( 297) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0021008 k( 298) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0021008 k( 299) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0021008 k( 300) = ( -0.2053571 0.2053571 -0.0000000), wk = 0.0021008 k( 301) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0021008 k( 302) = ( -0.2232143 0.2232143 0.0000000), wk = 0.0021008 k( 303) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0021008 k( 304) = ( -0.2410714 0.2410714 -0.0000000), wk = 0.0021008 k( 305) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021008 k( 306) = ( -0.2589286 0.2589286 0.0000000), wk = 0.0021008 k( 307) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0021008 k( 308) = ( -0.2767857 0.2767857 -0.0000000), wk = 0.0021008 k( 309) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0021008 k( 310) = ( -0.2946429 0.2946429 0.0000000), wk = 0.0021008 k( 311) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0021008 k( 312) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0021008 k( 313) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0021008 k( 314) = ( -0.3303571 0.3303571 0.0000000), wk = 0.0021008 k( 315) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0021008 k( 316) = ( -0.3482143 0.3482143 -0.0000000), wk = 0.0021008 k( 317) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0021008 k( 318) = ( -0.3660714 0.3660714 -0.0000000), wk = 0.0021008 k( 319) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0021008 k( 320) = ( -0.3839286 0.3839286 0.0000000), wk = 0.0021008 k( 321) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0021008 k( 322) = ( -0.4017857 0.4017857 0.0000000), wk = 0.0021008 k( 323) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0021008 k( 324) = ( -0.4196429 0.4196429 0.0000000), wk = 0.0021008 k( 325) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0021008 k( 326) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0021008 k( 327) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0021008 k( 328) = ( -0.4553571 0.4553571 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0021008 k( 330) = ( -0.4732143 0.4732143 -0.0000000), wk = 0.0021008 k( 331) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4910714 0.4910714 -0.0000000), wk = 0.0021008 k( 333) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 334) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4987951 0.5012049 0.0000000), wk = 0.0021008 k( 336) = ( -0.4987951 0.5012049 0.0000000), wk = 0.0021008 k( 337) = ( -0.4987951 0.5012049 0.0125000), wk = 0.0021008 k( 338) = ( -0.4987951 0.5012049 0.0250000), wk = 0.0021008 k( 339) = ( -0.4987951 0.5012049 0.0375000), wk = 0.0021008 k( 340) = ( -0.4987951 0.5012049 0.0500000), wk = 0.0021008 k( 341) = ( -0.4987951 0.5012049 0.0625000), wk = 0.0021008 k( 342) = ( -0.4987951 0.5012049 0.0750000), wk = 0.0021008 k( 343) = ( -0.4987951 0.5012049 0.0875000), wk = 0.0021008 k( 344) = ( -0.4987951 0.5012049 0.1000000), wk = 0.0021008 k( 345) = ( -0.4987951 0.5012049 0.1125000), wk = 0.0021008 k( 346) = ( -0.4987951 0.5012049 0.1250000), wk = 0.0021008 k( 347) = ( -0.4987951 0.5012049 0.1375000), wk = 0.0021008 k( 348) = ( -0.4987951 0.5012049 0.1500000), wk = 0.0021008 k( 349) = ( -0.4987951 0.5012049 0.1625000), wk = 0.0021008 k( 350) = ( -0.4987951 0.5012049 0.1750000), wk = 0.0021008 k( 351) = ( -0.4987951 0.5012049 0.1875000), wk = 0.0021008 k( 352) = ( -0.4987951 0.5012049 0.2000000), wk = 0.0021008 k( 353) = ( -0.4987951 0.5012049 0.2125000), wk = 0.0021008 k( 354) = ( -0.4987951 0.5012049 0.2250000), wk = 0.0021008 k( 355) = ( -0.4987951 0.5012049 0.2375000), wk = 0.0021008 k( 356) = ( -0.4987951 0.5012049 0.2500000), wk = 0.0021008 k( 357) = ( -0.4987951 0.5012049 0.2625000), wk = 0.0021008 k( 358) = ( -0.4987951 0.5012049 0.2750000), wk = 0.0021008 k( 359) = ( -0.4987951 0.5012049 0.2875000), wk = 0.0021008 k( 360) = ( -0.4987951 0.5012049 0.3000000), wk = 0.0021008 k( 361) = ( -0.4987951 0.5012049 0.3125000), wk = 0.0021008 k( 362) = ( -0.4987951 0.5012049 0.3250000), wk = 0.0021008 k( 363) = ( -0.4987951 0.5012049 0.3375000), wk = 0.0021008 k( 364) = ( -0.4987951 0.5012049 0.3500000), wk = 0.0021008 k( 365) = ( -0.4987951 0.5012049 0.3625000), wk = 0.0021008 k( 366) = ( -0.4987951 0.5012049 0.3750000), wk = 0.0021008 k( 367) = ( -0.4987951 0.5012049 0.3875000), wk = 0.0021008 k( 368) = ( -0.4987951 0.5012049 0.4000000), wk = 0.0021008 k( 369) = ( -0.4987951 0.5012049 0.4125000), wk = 0.0021008 k( 370) = ( -0.4987951 0.5012049 0.4250000), wk = 0.0021008 k( 371) = ( -0.4987951 0.5012049 0.4375000), wk = 0.0021008 k( 372) = ( -0.4987951 0.5012049 0.4500000), wk = 0.0021008 k( 373) = ( -0.4987951 0.5012049 0.4625000), wk = 0.0021008 k( 374) = ( -0.4987951 0.5012049 0.4750000), wk = 0.0021008 k( 375) = ( -0.4987951 0.5012049 0.4875000), wk = 0.0021008 k( 376) = ( -0.4987951 0.5012049 0.5000000), wk = 0.0021008 k( 377) = ( -0.4987951 0.5012049 0.5000000), wk = 0.0021008 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 379) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 380) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0021008 k( 381) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0021008 k( 382) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0021008 k( 383) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0021008 k( 384) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0021008 k( 385) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0021008 k( 386) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0021008 k( 387) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021008 k( 388) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0021008 k( 389) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021008 k( 390) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0021008 k( 391) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0021008 k( 392) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0021008 k( 393) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0021008 k( 394) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0021008 k( 395) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021008 k( 396) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0021008 k( 397) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0021008 k( 398) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0021008 k( 399) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021008 k( 400) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0021008 k( 401) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0021008 k( 402) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0021008 k( 403) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021008 k( 404) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0021008 k( 405) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0021008 k( 406) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0021008 k( 407) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0021008 k( 408) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0021008 k( 409) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021008 k( 410) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0021008 k( 411) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021008 k( 412) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0021008 k( 413) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0021008 k( 414) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0021008 k( 415) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0021008 k( 416) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0021008 k( 417) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0021008 k( 418) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0021008 k( 419) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 420) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 421) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0021008 k( 422) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0021008 k( 423) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0021008 k( 424) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0021008 k( 425) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0021008 k( 426) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0021008 k( 427) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0021008 k( 428) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0021008 k( 429) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0021008 k( 430) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0021008 k( 431) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0021008 k( 432) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0021008 k( 433) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0021008 k( 434) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021008 k( 435) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0021008 k( 436) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0021008 k( 437) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0021008 k( 438) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0021008 k( 439) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0021008 k( 440) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0021008 k( 441) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0021008 k( 442) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0021008 k( 443) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0021008 k( 444) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0021008 k( 445) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0021008 k( 446) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0021008 k( 447) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0021008 k( 448) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021008 k( 449) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0021008 k( 450) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0021008 k( 451) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0021008 k( 452) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0021008 k( 453) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0021008 k( 454) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0021008 k( 455) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0021008 k( 456) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0021008 k( 457) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0021008 k( 458) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0021008 k( 459) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0021008 k( 460) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0021008 k( 461) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0021008 k( 462) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021008 k( 463) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0021008 k( 464) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0021008 k( 465) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0021008 k( 466) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0021008 k( 467) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0021008 k( 468) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0021008 k( 469) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0021008 k( 470) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0021008 k( 471) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0021008 k( 472) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0021008 k( 473) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0021008 k( 474) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0021008 k( 475) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0021008 k( 476) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 101521 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22083 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 ( 2119) G-vector shells 0.01 Mb ( 1069) 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 45.1 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.3 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.6 secs Computing kpt #: 4 total cpu time spent up to now is 54.8 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.9 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.0 secs Computing kpt #: 7 total cpu time spent up to now is 62.7 secs Computing kpt #: 8 total cpu time spent up to now is 64.4 secs Computing kpt #: 9 total cpu time spent up to now is 66.1 secs Computing kpt #: 10 total cpu time spent up to now is 68.2 secs Computing kpt #: 11 total cpu time spent up to now is 70.3 secs Computing kpt #: 12 total cpu time spent up to now is 71.9 secs Computing kpt #: 13 total cpu time spent up to now is 73.5 secs Computing kpt #: 14 total cpu time spent up to now is 75.2 secs Computing kpt #: 15 total cpu time spent up to now is 76.6 secs Computing kpt #: 16 total cpu time spent up to now is 78.3 secs Computing kpt #: 17 total cpu time spent up to now is 79.8 secs Computing kpt #: 18 total cpu time spent up to now is 81.5 secs Computing kpt #: 19 total cpu time spent up to now is 82.7 secs Computing kpt #: 20 total cpu time spent up to now is 84.3 secs Computing kpt #: 21 total cpu time spent up to now is 85.9 secs Computing kpt #: 22 total cpu time spent up to now is 87.2 secs Computing kpt #: 23 total cpu time spent up to now is 88.4 secs Computing kpt #: 24 total cpu time spent up to now is 89.7 secs Computing kpt #: 25 total cpu time spent up to now is 90.9 secs Computing kpt #: 26 total cpu time spent up to now is 92.1 secs Computing kpt #: 27 total cpu time spent up to now is 93.3 secs Computing kpt #: 28 total cpu time spent up to now is 94.5 secs Computing kpt #: 29 total cpu time spent up to now is 95.8 secs Computing kpt #: 30 total cpu time spent up to now is 97.0 secs Computing kpt #: 31 total cpu time spent up to now is 98.2 secs Computing kpt #: 32 total cpu time spent up to now is 99.5 secs Computing kpt #: 33 total cpu time spent up to now is 100.7 secs Computing kpt #: 34 total cpu time spent up to now is 102.1 secs Computing kpt #: 35 total cpu time spent up to now is 103.3 secs Computing kpt #: 36 total cpu time spent up to now is 104.4 secs Computing kpt #: 37 total cpu time spent up to now is 105.6 secs Computing kpt #: 38 total cpu time spent up to now is 106.8 secs Computing kpt #: 39 total cpu time spent up to now is 108.2 secs Computing kpt #: 40 total cpu time spent up to now is 109.3 secs Computing kpt #: 41 total cpu time spent up to now is 110.5 secs Computing kpt #: 42 total cpu time spent up to now is 111.8 secs Computing kpt #: 43 total cpu time spent up to now is 113.2 secs Computing kpt #: 44 total cpu time spent up to now is 114.2 secs Computing kpt #: 45 total cpu time spent up to now is 115.4 secs Computing kpt #: 46 total cpu time spent up to now is 116.5 secs Computing kpt #: 47 total cpu time spent up to now is 117.6 secs Computing kpt #: 48 total cpu time spent up to now is 119.2 secs Computing kpt #: 49 total cpu time spent up to now is 120.3 secs Computing kpt #: 50 total cpu time spent up to now is 121.5 secs Computing kpt #: 51 total cpu time spent up to now is 122.4 secs Computing kpt #: 52 total cpu time spent up to now is 123.4 secs Computing kpt #: 53 total cpu time spent up to now is 124.5 secs Computing kpt #: 54 total cpu time spent up to now is 125.6 secs Computing kpt #: 55 total cpu time spent up to now is 126.7 secs Computing kpt #: 56 total cpu time spent up to now is 127.8 secs Computing kpt #: 57 total cpu time spent up to now is 128.8 secs Computing kpt #: 58 total cpu time spent up to now is 129.8 secs Computing kpt #: 59 total cpu time spent up to now is 130.8 secs Computing kpt #: 60 total cpu time spent up to now is 131.9 secs Computing kpt #: 61 total cpu time spent up to now is 132.9 secs Computing kpt #: 62 total cpu time spent up to now is 133.9 secs Computing kpt #: 63 total cpu time spent up to now is 134.9 secs Computing kpt #: 64 total cpu time spent up to now is 136.0 secs Computing kpt #: 65 total cpu time spent up to now is 137.2 secs Computing kpt #: 66 total cpu time spent up to now is 138.3 secs Computing kpt #: 67 total cpu time spent up to now is 139.4 secs Computing kpt #: 68 total cpu time spent up to now is 140.4 secs Computing kpt #: 69 total cpu time spent up to now is 141.6 secs Computing kpt #: 70 total cpu time spent up to now is 142.7 secs Computing kpt #: 71 total cpu time spent up to now is 143.9 secs Computing kpt #: 72 total cpu time spent up to now is 145.2 secs Computing kpt #: 73 total cpu time spent up to now is 146.3 secs Computing kpt #: 74 total cpu time spent up to now is 147.6 secs Computing kpt #: 75 total cpu time spent up to now is 148.8 secs Computing kpt #: 76 total cpu time spent up to now is 149.9 secs Computing kpt #: 77 total cpu time spent up to now is 151.1 secs Computing kpt #: 78 total cpu time spent up to now is 152.3 secs Computing kpt #: 79 total cpu time spent up to now is 154.1 secs Computing kpt #: 80 total cpu time spent up to now is 155.3 secs Computing kpt #: 81 total cpu time spent up to now is 156.7 secs Computing kpt #: 82 total cpu time spent up to now is 158.1 secs Computing kpt #: 83 total cpu time spent up to now is 159.4 secs Computing kpt #: 84 total cpu time spent up to now is 160.6 secs Computing kpt #: 85 total cpu time spent up to now is 161.8 secs Computing kpt #: 86 total cpu time spent up to now is 162.9 secs Computing kpt #: 87 total cpu time spent up to now is 164.1 secs Computing kpt #: 88 total cpu time spent up to now is 165.3 secs Computing kpt #: 89 total cpu time spent up to now is 166.7 secs Computing kpt #: 90 total cpu time spent up to now is 168.0 secs Computing kpt #: 91 total cpu time spent up to now is 169.3 secs Computing kpt #: 92 total cpu time spent up to now is 170.5 secs Computing kpt #: 93 total cpu time spent up to now is 171.7 secs Computing kpt #: 94 total cpu time spent up to now is 172.9 secs Computing kpt #: 95 total cpu time spent up to now is 174.2 secs Computing kpt #: 96 total cpu time spent up to now is 175.4 secs Computing kpt #: 97 total cpu time spent up to now is 176.6 secs Computing kpt #: 98 total cpu time spent up to now is 177.8 secs Computing kpt #: 99 total cpu time spent up to now is 179.1 secs Computing kpt #: 100 total cpu time spent up to now is 180.3 secs Computing kpt #: 101 total cpu time spent up to now is 181.5 secs Computing kpt #: 102 total cpu time spent up to now is 182.7 secs Computing kpt #: 103 total cpu time spent up to now is 184.3 secs Computing kpt #: 104 total cpu time spent up to now is 185.5 secs Computing kpt #: 105 total cpu time spent up to now is 186.8 secs Computing kpt #: 106 total cpu time spent up to now is 188.1 secs Computing kpt #: 107 total cpu time spent up to now is 189.3 secs Computing kpt #: 108 total cpu time spent up to now is 190.4 secs Computing kpt #: 109 total cpu time spent up to now is 191.7 secs Computing kpt #: 110 total cpu time spent up to now is 192.9 secs Computing kpt #: 111 total cpu time spent up to now is 194.1 secs Computing kpt #: 112 total cpu time spent up to now is 195.3 secs Computing kpt #: 113 total cpu time spent up to now is 196.5 secs Computing kpt #: 114 total cpu time spent up to now is 197.7 secs Computing kpt #: 115 total cpu time spent up to now is 198.9 secs Computing kpt #: 116 total cpu time spent up to now is 200.2 secs Computing kpt #: 117 total cpu time spent up to now is 201.4 secs Computing kpt #: 118 total cpu time spent up to now is 202.6 secs Computing kpt #: 119 total cpu time spent up to now is 203.9 secs Computing kpt #: 120 total cpu time spent up to now is 205.1 secs Computing kpt #: 121 total cpu time spent up to now is 206.3 secs Computing kpt #: 122 total cpu time spent up to now is 207.4 secs Computing kpt #: 123 total cpu time spent up to now is 208.6 secs Computing kpt #: 124 total cpu time spent up to now is 209.7 secs Computing kpt #: 125 total cpu time spent up to now is 211.0 secs Computing kpt #: 126 total cpu time spent up to now is 212.1 secs Computing kpt #: 127 total cpu time spent up to now is 213.2 secs Computing kpt #: 128 total cpu time spent up to now is 214.3 secs Computing kpt #: 129 total cpu time spent up to now is 215.5 secs Computing kpt #: 130 total cpu time spent up to now is 216.5 secs Computing kpt #: 131 total cpu time spent up to now is 217.6 secs Computing kpt #: 132 total cpu time spent up to now is 218.6 secs Computing kpt #: 133 total cpu time spent up to now is 220.2 secs Computing kpt #: 134 total cpu time spent up to now is 221.2 secs Computing kpt #: 135 total cpu time spent up to now is 222.5 secs Computing kpt #: 136 total cpu time spent up to now is 223.4 secs Computing kpt #: 137 total cpu time spent up to now is 224.5 secs Computing kpt #: 138 total cpu time spent up to now is 225.5 secs Computing kpt #: 139 total cpu time spent up to now is 226.5 secs Computing kpt #: 140 total cpu time spent up to now is 227.6 secs Computing kpt #: 141 total cpu time spent up to now is 228.7 secs Computing kpt #: 142 total cpu time spent up to now is 229.6 secs Computing kpt #: 143 total cpu time spent up to now is 230.7 secs Computing kpt #: 144 total cpu time spent up to now is 231.7 secs Computing kpt #: 145 total cpu time spent up to now is 232.7 secs Computing kpt #: 146 total cpu time spent up to now is 233.8 secs Computing kpt #: 147 total cpu time spent up to now is 234.9 secs Computing kpt #: 148 total cpu time spent up to now is 236.1 secs Computing kpt #: 149 total cpu time spent up to now is 237.3 secs Computing kpt #: 150 total cpu time spent up to now is 238.6 secs Computing kpt #: 151 total cpu time spent up to now is 239.8 secs Computing kpt #: 152 total cpu time spent up to now is 241.3 secs Computing kpt #: 153 total cpu time spent up to now is 242.6 secs Computing kpt #: 154 total cpu time spent up to now is 244.0 secs Computing kpt #: 155 total cpu time spent up to now is 245.3 secs Computing kpt #: 156 total cpu time spent up to now is 246.8 secs Computing kpt #: 157 total cpu time spent up to now is 248.3 secs Computing kpt #: 158 total cpu time spent up to now is 250.5 secs Computing kpt #: 159 total cpu time spent up to now is 252.1 secs Computing kpt #: 160 total cpu time spent up to now is 253.9 secs Computing kpt #: 161 total cpu time spent up to now is 255.6 secs Computing kpt #: 162 total cpu time spent up to now is 257.3 secs Computing kpt #: 163 total cpu time spent up to now is 259.0 secs Computing kpt #: 164 total cpu time spent up to now is 260.7 secs Computing kpt #: 165 total cpu time spent up to now is 262.5 secs Computing kpt #: 166 total cpu time spent up to now is 264.3 secs Computing kpt #: 167 total cpu time spent up to now is 266.3 secs Computing kpt #: 168 total cpu time spent up to now is 268.3 secs Computing kpt #: 169 total cpu time spent up to now is 270.2 secs Computing kpt #: 170 total cpu time spent up to now is 272.2 secs Computing kpt #: 171 total cpu time spent up to now is 274.2 secs Computing kpt #: 172 total cpu time spent up to now is 276.4 secs Computing kpt #: 173 total cpu time spent up to now is 278.4 secs Computing kpt #: 174 total cpu time spent up to now is 280.4 secs Computing kpt #: 175 total cpu time spent up to now is 282.4 secs Computing kpt #: 176 total cpu time spent up to now is 284.2 secs Computing kpt #: 177 total cpu time spent up to now is 286.3 secs Computing kpt #: 178 total cpu time spent up to now is 287.8 secs Computing kpt #: 179 total cpu time spent up to now is 289.3 secs Computing kpt #: 180 total cpu time spent up to now is 291.0 secs Computing kpt #: 181 total cpu time spent up to now is 292.9 secs Computing kpt #: 182 total cpu time spent up to now is 295.1 secs Computing kpt #: 183 total cpu time spent up to now is 297.1 secs Computing kpt #: 184 total cpu time spent up to now is 299.0 secs Computing kpt #: 185 total cpu time spent up to now is 301.0 secs Computing kpt #: 186 total cpu time spent up to now is 302.9 secs Computing kpt #: 187 total cpu time spent up to now is 304.7 secs Computing kpt #: 188 total cpu time spent up to now is 306.7 secs Computing kpt #: 189 total cpu time spent up to now is 308.4 secs Computing kpt #: 190 total cpu time spent up to now is 310.4 secs Computing kpt #: 191 total cpu time spent up to now is 312.4 secs Computing kpt #: 192 total cpu time spent up to now is 314.4 secs Computing kpt #: 193 total cpu time spent up to now is 316.4 secs Computing kpt #: 194 total cpu time spent up to now is 318.3 secs Computing kpt #: 195 total cpu time spent up to now is 320.3 secs Computing kpt #: 196 total cpu time spent up to now is 321.8 secs Computing kpt #: 197 total cpu time spent up to now is 323.5 secs Computing kpt #: 198 total cpu time spent up to now is 325.1 secs Computing kpt #: 199 total cpu time spent up to now is 326.5 secs Computing kpt #: 200 total cpu time spent up to now is 328.6 secs Computing kpt #: 201 total cpu time spent up to now is 330.1 secs Computing kpt #: 202 total cpu time spent up to now is 331.6 secs Computing kpt #: 203 total cpu time spent up to now is 332.8 secs Computing kpt #: 204 total cpu time spent up to now is 334.2 secs Computing kpt #: 205 total cpu time spent up to now is 335.5 secs Computing kpt #: 206 total cpu time spent up to now is 336.8 secs Computing kpt #: 207 total cpu time spent up to now is 338.1 secs Computing kpt #: 208 total cpu time spent up to now is 339.2 secs Computing kpt #: 209 total cpu time spent up to now is 340.6 secs Computing kpt #: 210 total cpu time spent up to now is 342.0 secs Computing kpt #: 211 total cpu time spent up to now is 343.2 secs Computing kpt #: 212 total cpu time spent up to now is 344.3 secs Computing kpt #: 213 total cpu time spent up to now is 345.7 secs Computing kpt #: 214 total cpu time spent up to now is 347.4 secs Computing kpt #: 215 total cpu time spent up to now is 348.8 secs Computing kpt #: 216 total cpu time spent up to now is 349.9 secs Computing kpt #: 217 total cpu time spent up to now is 351.2 secs Computing kpt #: 218 total cpu time spent up to now is 352.6 secs Computing kpt #: 219 total cpu time spent up to now is 353.8 secs Computing kpt #: 220 total cpu time spent up to now is 355.0 secs Computing kpt #: 221 total cpu time spent up to now is 356.2 secs Computing kpt #: 222 total cpu time spent up to now is 357.3 secs Computing kpt #: 223 total cpu time spent up to now is 358.5 secs Computing kpt #: 224 total cpu time spent up to now is 359.8 secs Computing kpt #: 225 total cpu time spent up to now is 361.0 secs Computing kpt #: 226 total cpu time spent up to now is 362.1 secs Computing kpt #: 227 total cpu time spent up to now is 363.3 secs Computing kpt #: 228 total cpu time spent up to now is 364.5 secs Computing kpt #: 229 total cpu time spent up to now is 365.7 secs Computing kpt #: 230 total cpu time spent up to now is 366.8 secs Computing kpt #: 231 total cpu time spent up to now is 367.9 secs Computing kpt #: 232 total cpu time spent up to now is 369.2 secs Computing kpt #: 233 total cpu time spent up to now is 370.4 secs Computing kpt #: 234 total cpu time spent up to now is 371.6 secs Computing kpt #: 235 total cpu time spent up to now is 372.7 secs Computing kpt #: 236 total cpu time spent up to now is 373.9 secs Computing kpt #: 237 total cpu time spent up to now is 375.7 secs Computing kpt #: 238 total cpu time spent up to now is 376.9 secs Computing kpt #: 239 total cpu time spent up to now is 378.2 secs Computing kpt #: 240 total cpu time spent up to now is 379.4 secs Computing kpt #: 241 total cpu time spent up to now is 380.6 secs Computing kpt #: 242 total cpu time spent up to now is 381.8 secs Computing kpt #: 243 total cpu time spent up to now is 383.0 secs Computing kpt #: 244 total cpu time spent up to now is 384.2 secs Computing kpt #: 245 total cpu time spent up to now is 385.4 secs Computing kpt #: 246 total cpu time spent up to now is 386.6 secs Computing kpt #: 247 total cpu time spent up to now is 387.8 secs Computing kpt #: 248 total cpu time spent up to now is 389.0 secs Computing kpt #: 249 total cpu time spent up to now is 390.2 secs Computing kpt #: 250 total cpu time spent up to now is 391.4 secs Computing kpt #: 251 total cpu time spent up to now is 392.6 secs Computing kpt #: 252 total cpu time spent up to now is 393.8 secs Computing kpt #: 253 total cpu time spent up to now is 395.3 secs Computing kpt #: 254 total cpu time spent up to now is 396.6 secs Computing kpt #: 255 total cpu time spent up to now is 397.8 secs Computing kpt #: 256 total cpu time spent up to now is 399.1 secs Computing kpt #: 257 total cpu time spent up to now is 400.3 secs Computing kpt #: 258 total cpu time spent up to now is 401.9 secs Computing kpt #: 259 total cpu time spent up to now is 403.3 secs Computing kpt #: 260 total cpu time spent up to now is 404.5 secs Computing kpt #: 261 total cpu time spent up to now is 406.2 secs Computing kpt #: 262 total cpu time spent up to now is 407.6 secs Computing kpt #: 263 total cpu time spent up to now is 408.9 secs Computing kpt #: 264 total cpu time spent up to now is 410.2 secs Computing kpt #: 265 total cpu time spent up to now is 411.8 secs Computing kpt #: 266 total cpu time spent up to now is 413.5 secs Computing kpt #: 267 total cpu time spent up to now is 415.3 secs Computing kpt #: 268 total cpu time spent up to now is 417.1 secs Computing kpt #: 269 total cpu time spent up to now is 419.2 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.5 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.8 secs Computing kpt #: 272 total cpu time spent up to now is 427.9 secs Computing kpt #: 273 total cpu time spent up to now is 430.0 secs Computing kpt #: 274 total cpu time spent up to now is 432.0 secs Computing kpt #: 275 total cpu time spent up to now is 433.9 secs Computing kpt #: 276 total cpu time spent up to now is 435.8 secs Computing kpt #: 277 total cpu time spent up to now is 437.8 secs Computing kpt #: 278 total cpu time spent up to now is 439.6 secs Computing kpt #: 279 total cpu time spent up to now is 441.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.9 secs Computing kpt #: 281 total cpu time spent up to now is 446.7 secs Computing kpt #: 282 total cpu time spent up to now is 448.5 secs Computing kpt #: 283 total cpu time spent up to now is 450.1 secs Computing kpt #: 284 total cpu time spent up to now is 451.7 secs Computing kpt #: 285 total cpu time spent up to now is 453.4 secs Computing kpt #: 286 total cpu time spent up to now is 455.3 secs Computing kpt #: 287 total cpu time spent up to now is 457.0 secs Computing kpt #: 288 total cpu time spent up to now is 458.3 secs Computing kpt #: 289 total cpu time spent up to now is 459.8 secs Computing kpt #: 290 total cpu time spent up to now is 461.2 secs Computing kpt #: 291 total cpu time spent up to now is 462.5 secs Computing kpt #: 292 total cpu time spent up to now is 463.8 secs Computing kpt #: 293 total cpu time spent up to now is 465.1 secs Computing kpt #: 294 total cpu time spent up to now is 466.4 secs Computing kpt #: 295 total cpu time spent up to now is 467.8 secs Computing kpt #: 296 total cpu time spent up to now is 469.1 secs Computing kpt #: 297 total cpu time spent up to now is 470.6 secs Computing kpt #: 298 total cpu time spent up to now is 471.9 secs Computing kpt #: 299 total cpu time spent up to now is 473.2 secs Computing kpt #: 300 total cpu time spent up to now is 474.5 secs Computing kpt #: 301 total cpu time spent up to now is 475.7 secs Computing kpt #: 302 total cpu time spent up to now is 477.1 secs Computing kpt #: 303 total cpu time spent up to now is 478.6 secs Computing kpt #: 304 total cpu time spent up to now is 479.8 secs Computing kpt #: 305 total cpu time spent up to now is 481.1 secs Computing kpt #: 306 total cpu time spent up to now is 482.9 secs Computing kpt #: 307 total cpu time spent up to now is 484.3 secs Computing kpt #: 308 total cpu time spent up to now is 485.6 secs Computing kpt #: 309 total cpu time spent up to now is 487.0 secs Computing kpt #: 310 total cpu time spent up to now is 488.3 secs Computing kpt #: 311 total cpu time spent up to now is 489.5 secs Computing kpt #: 312 total cpu time spent up to now is 490.9 secs Computing kpt #: 313 total cpu time spent up to now is 492.1 secs Computing kpt #: 314 total cpu time spent up to now is 493.3 secs Computing kpt #: 315 total cpu time spent up to now is 494.5 secs Computing kpt #: 316 total cpu time spent up to now is 495.8 secs Computing kpt #: 317 total cpu time spent up to now is 497.2 secs Computing kpt #: 318 total cpu time spent up to now is 498.3 secs Computing kpt #: 319 total cpu time spent up to now is 499.5 secs Computing kpt #: 320 total cpu time spent up to now is 500.7 secs Computing kpt #: 321 total cpu time spent up to now is 501.8 secs Computing kpt #: 322 total cpu time spent up to now is 503.2 secs Computing kpt #: 323 total cpu time spent up to now is 504.3 secs Computing kpt #: 324 total cpu time spent up to now is 505.4 secs Computing kpt #: 325 total cpu time spent up to now is 506.5 secs Computing kpt #: 326 total cpu time spent up to now is 507.4 secs Computing kpt #: 327 total cpu time spent up to now is 508.6 secs Computing kpt #: 328 total cpu time spent up to now is 509.7 secs Computing kpt #: 329 total cpu time spent up to now is 510.6 secs Computing kpt #: 330 total cpu time spent up to now is 511.7 secs Computing kpt #: 331 total cpu time spent up to now is 512.7 secs Computing kpt #: 332 total cpu time spent up to now is 513.8 secs Computing kpt #: 333 total cpu time spent up to now is 514.9 secs Computing kpt #: 334 total cpu time spent up to now is 515.9 secs Computing kpt #: 335 total cpu time spent up to now is 516.8 secs Computing kpt #: 336 total cpu time spent up to now is 517.9 secs Computing kpt #: 337 total cpu time spent up to now is 518.9 secs Computing kpt #: 338 total cpu time spent up to now is 519.9 secs Computing kpt #: 339 total cpu time spent up to now is 521.0 secs Computing kpt #: 340 total cpu time spent up to now is 522.0 secs Computing kpt #: 341 total cpu time spent up to now is 523.1 secs Computing kpt #: 342 total cpu time spent up to now is 524.1 secs Computing kpt #: 343 total cpu time spent up to now is 525.3 secs Computing kpt #: 344 total cpu time spent up to now is 526.5 secs Computing kpt #: 345 total cpu time spent up to now is 527.7 secs Computing kpt #: 346 total cpu time spent up to now is 529.0 secs Computing kpt #: 347 total cpu time spent up to now is 530.2 secs Computing kpt #: 348 total cpu time spent up to now is 531.6 secs Computing kpt #: 349 total cpu time spent up to now is 532.9 secs Computing kpt #: 350 total cpu time spent up to now is 534.3 secs Computing kpt #: 351 total cpu time spent up to now is 535.6 secs Computing kpt #: 352 total cpu time spent up to now is 537.0 secs Computing kpt #: 353 total cpu time spent up to now is 538.8 secs Computing kpt #: 354 total cpu time spent up to now is 540.4 secs Computing kpt #: 355 total cpu time spent up to now is 542.1 secs Computing kpt #: 356 total cpu time spent up to now is 543.8 secs Computing kpt #: 357 total cpu time spent up to now is 545.7 secs Computing kpt #: 358 total cpu time spent up to now is 547.6 secs Computing kpt #: 359 total cpu time spent up to now is 549.6 secs Computing kpt #: 360 total cpu time spent up to now is 551.8 secs Computing kpt #: 361 total cpu time spent up to now is 553.8 secs Computing kpt #: 362 total cpu time spent up to now is 557.0 secs Computing kpt #: 363 total cpu time spent up to now is 559.8 secs Computing kpt #: 364 total cpu time spent up to now is 562.8 secs Computing kpt #: 365 total cpu time spent up to now is 565.9 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.1 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.1 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.2 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.4 secs Computing kpt #: 370 total cpu time spent up to now is 582.4 secs Computing kpt #: 371 total cpu time spent up to now is 585.7 secs Computing kpt #: 372 total cpu time spent up to now is 587.9 secs Computing kpt #: 373 total cpu time spent up to now is 590.3 secs Computing kpt #: 374 total cpu time spent up to now is 592.2 secs Computing kpt #: 375 total cpu time spent up to now is 593.9 secs Computing kpt #: 376 total cpu time spent up to now is 595.3 secs Computing kpt #: 377 total cpu time spent up to now is 596.5 secs Computing kpt #: 378 total cpu time spent up to now is 598.4 secs Computing kpt #: 379 total cpu time spent up to now is 600.0 secs Computing kpt #: 380 total cpu time spent up to now is 602.0 secs Computing kpt #: 381 total cpu time spent up to now is 604.0 secs Computing kpt #: 382 total cpu time spent up to now is 606.0 secs Computing kpt #: 383 total cpu time spent up to now is 608.5 secs Computing kpt #: 384 total cpu time spent up to now is 610.9 secs Computing kpt #: 385 total cpu time spent up to now is 613.7 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.9 secs Computing kpt #: 387 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.0 secs Computing kpt #: 388 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.2 secs Computing kpt #: 389 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.4 secs Computing kpt #: 390 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.2 secs Computing kpt #: 391 total cpu time spent up to now is 634.3 secs Computing kpt #: 392 total cpu time spent up to now is 636.9 secs Computing kpt #: 393 total cpu time spent up to now is 639.3 secs Computing kpt #: 394 total cpu time spent up to now is 641.6 secs Computing kpt #: 395 total cpu time spent up to now is 643.6 secs Computing kpt #: 396 total cpu time spent up to now is 645.5 secs Computing kpt #: 397 total cpu time spent up to now is 647.5 secs Computing kpt #: 398 total cpu time spent up to now is 649.3 secs Computing kpt #: 399 total cpu time spent up to now is 651.2 secs Computing kpt #: 400 total cpu time spent up to now is 653.1 secs Computing kpt #: 401 total cpu time spent up to now is 654.9 secs Computing kpt #: 402 total cpu time spent up to now is 656.4 secs Computing kpt #: 403 total cpu time spent up to now is 657.7 secs Computing kpt #: 404 total cpu time spent up to now is 659.3 secs Computing kpt #: 405 total cpu time spent up to now is 660.8 secs Computing kpt #: 406 total cpu time spent up to now is 662.1 secs Computing kpt #: 407 total cpu time spent up to now is 663.4 secs Computing kpt #: 408 total cpu time spent up to now is 664.9 secs Computing kpt #: 409 total cpu time spent up to now is 666.0 secs Computing kpt #: 410 total cpu time spent up to now is 667.3 secs Computing kpt #: 411 total cpu time spent up to now is 668.5 secs Computing kpt #: 412 total cpu time spent up to now is 669.5 secs Computing kpt #: 413 total cpu time spent up to now is 670.6 secs Computing kpt #: 414 total cpu time spent up to now is 672.2 secs Computing kpt #: 415 total cpu time spent up to now is 673.4 secs Computing kpt #: 416 total cpu time spent up to now is 674.4 secs Computing kpt #: 417 total cpu time spent up to now is 675.3 secs Computing kpt #: 418 total cpu time spent up to now is 676.4 secs Computing kpt #: 419 total cpu time spent up to now is 677.4 secs Computing kpt #: 420 total cpu time spent up to now is 678.6 secs Computing kpt #: 421 total cpu time spent up to now is 679.8 secs Computing kpt #: 422 total cpu time spent up to now is 681.1 secs Computing kpt #: 423 total cpu time spent up to now is 682.3 secs Computing kpt #: 424 total cpu time spent up to now is 683.6 secs Computing kpt #: 425 total cpu time spent up to now is 684.9 secs Computing kpt #: 426 total cpu time spent up to now is 686.1 secs Computing kpt #: 427 total cpu time spent up to now is 687.3 secs Computing kpt #: 428 total cpu time spent up to now is 688.5 secs Computing kpt #: 429 total cpu time spent up to now is 689.8 secs Computing kpt #: 430 total cpu time spent up to now is 691.1 secs Computing kpt #: 431 total cpu time spent up to now is 692.3 secs Computing kpt #: 432 total cpu time spent up to now is 693.5 secs Computing kpt #: 433 total cpu time spent up to now is 694.7 secs Computing kpt #: 434 total cpu time spent up to now is 696.0 secs Computing kpt #: 435 total cpu time spent up to now is 697.2 secs Computing kpt #: 436 total cpu time spent up to now is 698.5 secs Computing kpt #: 437 total cpu time spent up to now is 699.7 secs Computing kpt #: 438 total cpu time spent up to now is 701.1 secs Computing kpt #: 439 total cpu time spent up to now is 702.4 secs Computing kpt #: 440 total cpu time spent up to now is 703.8 secs Computing kpt #: 441 total cpu time spent up to now is 705.3 secs Computing kpt #: 442 total cpu time spent up to now is 706.6 secs Computing kpt #: 443 total cpu time spent up to now is 707.8 secs Computing kpt #: 444 total cpu time spent up to now is 709.0 secs Computing kpt #: 445 total cpu time spent up to now is 710.5 secs Computing kpt #: 446 total cpu time spent up to now is 711.7 secs Computing kpt #: 447 total cpu time spent up to now is 713.2 secs Computing kpt #: 448 total cpu time spent up to now is 714.5 secs Computing kpt #: 449 total cpu time spent up to now is 716.0 secs Computing kpt #: 450 total cpu time spent up to now is 717.2 secs Computing kpt #: 451 total cpu time spent up to now is 718.6 secs Computing kpt #: 452 total cpu time spent up to now is 720.2 secs Computing kpt #: 453 total cpu time spent up to now is 721.7 secs Computing kpt #: 454 total cpu time spent up to now is 723.3 secs Computing kpt #: 455 total cpu time spent up to now is 724.9 secs Computing kpt #: 456 total cpu time spent up to now is 726.7 secs Computing kpt #: 457 total cpu time spent up to now is 728.7 secs Computing kpt #: 458 total cpu time spent up to now is 730.5 secs Computing kpt #: 459 total cpu time spent up to now is 732.3 secs Computing kpt #: 460 total cpu time spent up to now is 734.2 secs Computing kpt #: 461 total cpu time spent up to now is 736.4 secs Computing kpt #: 462 total cpu time spent up to now is 738.4 secs Computing kpt #: 463 total cpu time spent up to now is 740.4 secs Computing kpt #: 464 total cpu time spent up to now is 742.5 secs Computing kpt #: 465 total cpu time spent up to now is 744.5 secs Computing kpt #: 466 total cpu time spent up to now is 746.3 secs Computing kpt #: 467 total cpu time spent up to now is 748.2 secs Computing kpt #: 468 total cpu time spent up to now is 750.1 secs Computing kpt #: 469 total cpu time spent up to now is 752.3 secs Computing kpt #: 470 total cpu time spent up to now is 754.3 secs Computing kpt #: 471 total cpu time spent up to now is 756.3 secs Computing kpt #: 472 total cpu time spent up to now is 758.3 secs Computing kpt #: 473 total cpu time spent up to now is 760.2 secs Computing kpt #: 474 total cpu time spent up to now is 762.3 secs Computing kpt #: 475 total cpu time spent up to now is 763.6 secs Computing kpt #: 476 total cpu time spent up to now is 765.3 secs ethr = 2.50E-11, avg # of iterations = 38.0 total cpu time spent up to now is 765.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8689 -22.8689 -22.2196 -22.2196 -22.2032 -22.2032 -14.4801 -14.4801 -6.5711 -6.5711 -5.9133 -5.9133 -5.8880 -5.8880 -1.0223 -1.0223 0.8898 0.8898 0.8995 0.8995 7.8785 7.8785 8.0845 8.0845 8.1055 8.1055 9.0342 9.0342 9.0674 9.0674 9.1361 9.1361 9.8462 9.8462 9.9786 9.9786 10.0571 10.0571 12.2549 12.2549 12.3192 12.3192 12.5867 12.5867 14.4100 14.4100 k = 0.0089 0.0089-0.0000 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8690 -22.8690 -22.2196 -22.2196 -22.2032 -22.2032 -14.4800 -14.4800 -6.5712 -6.5712 -5.9133 -5.9133 -5.8880 -5.8880 -1.0219 -1.0219 0.8904 0.8904 0.8997 0.8997 7.8775 7.8775 8.0827 8.0827 8.1048 8.1048 9.0324 9.0324 9.0642 9.0642 9.1362 9.1362 9.8439 9.8439 9.9768 9.9768 10.0559 10.0559 12.2563 12.2563 12.3212 12.3212 12.5885 12.5885 14.4113 14.4113 k = 0.0178 0.0179-0.0000 ( 2783 PWs) bands (ev): -46.1784 -46.1784 -22.8690 -22.8690 -22.2198 -22.2198 -22.2032 -22.2032 -14.4794 -14.4794 -6.5712 -6.5712 -5.9132 -5.9132 -5.8879 -5.8879 -1.0208 -1.0208 0.8925 0.8925 0.9001 0.9001 7.8742 7.8742 8.0773 8.0773 8.1028 8.1028 9.0270 9.0270 9.0547 9.0547 9.1363 9.1363 9.8368 9.8368 9.9716 9.9716 10.0522 10.0522 12.2607 12.2607 12.3269 12.3269 12.5937 12.5937 14.4153 14.4153 k = 0.0267 0.0268-0.0000 ( 2783 PWs) bands (ev): -46.1784 -46.1784 -22.8691 -22.8691 -22.2200 -22.2200 -22.2033 -22.2033 -14.4786 -14.4786 -6.5712 -6.5712 -5.9131 -5.9131 -5.8877 -5.8877 -1.0191 -1.0191 0.8958 0.8958 0.9008 0.9008 7.8685 7.8685 8.0684 8.0684 8.0995 8.0995 9.0179 9.0179 9.0390 9.0390 9.1367 9.1367 9.8249 9.8249 9.9631 9.9631 10.0462 10.0462 12.2678 12.2678 12.3365 12.3365 12.6024 12.6024 14.4219 14.4219 k = 0.0356 0.0357-0.0000 ( 2777 PWs) bands (ev): -46.1784 -46.1784 -22.8693 -22.8693 -22.2202 -22.2202 -22.2033 -22.2033 -14.4773 -14.4773 -6.5713 -6.5713 -5.9130 -5.9130 -5.8875 -5.8875 -1.0166 -1.0166 0.8998 0.8998 0.9024 0.9024 7.8604 7.8604 8.0562 8.0562 8.0951 8.0951 9.0047 9.0047 9.0182 9.0182 9.1372 9.1372 9.8082 9.8082 9.9516 9.9516 10.0378 10.0378 12.2778 12.2778 12.3498 12.3498 12.6145 12.6145 14.4310 14.4310 k = 0.0445 0.0446-0.0000 ( 2773 PWs) bands (ev): -46.1784 -46.1784 -22.8695 -22.8695 -22.2205 -22.2205 -22.2034 -22.2034 -14.4758 -14.4758 -6.5714 -6.5714 -5.9128 -5.9128 -5.8871 -5.8871 -1.0135 -1.0135 0.9019 0.9019 0.9074 0.9074 7.8493 7.8493 8.0411 8.0411 8.0894 8.0894 8.9845 8.9845 8.9955 8.9955 9.1380 9.1380 9.7865 9.7865 9.9375 9.9375 10.0271 10.0271 12.2905 12.2905 12.3667 12.3667 12.6297 12.6297 14.4424 14.4424 k = 0.0534 0.0536-0.0000 ( 2777 PWs) bands (ev): -46.1783 -46.1783 -22.8697 -22.8697 -22.2210 -22.2210 -22.2035 -22.2035 -14.4739 -14.4739 -6.5715 -6.5715 -5.9126 -5.9126 -5.8866 -5.8866 -1.0098 -1.0098 0.9033 0.9033 0.9145 0.9145 7.8351 7.8351 8.0237 8.0237 8.0826 8.0826 8.9540 8.9540 8.9748 8.9748 9.1391 9.1391 9.7597 9.7598 9.9211 9.9211 10.0143 10.0143 12.3059 12.3059 12.3870 12.3870 12.6481 12.6481 14.4561 14.4561 k = 0.0623 0.0625-0.0000 ( 2781 PWs) bands (ev): -46.1783 -46.1783 -22.8700 -22.8700 -22.2215 -22.2215 -22.2036 -22.2036 -14.4717 -14.4717 -6.5715 -6.5715 -5.9124 -5.9124 -5.8860 -5.8860 -1.0055 -1.0055 0.9049 0.9049 0.9229 0.9229 7.8171 7.8171 8.0044 8.0044 8.0747 8.0747 8.9171 8.9171 8.9529 8.9529 9.1406 9.1406 9.7281 9.7281 9.9030 9.9030 9.9995 9.9995 12.3239 12.3239 12.4105 12.4105 12.6694 12.6694 14.4719 14.4719 k = 0.0713 0.0714-0.0000 ( 2781 PWs) bands (ev): -46.1783 -46.1783 -22.8704 -22.8704 -22.2221 -22.2221 -22.2038 -22.2038 -14.4692 -14.4692 -6.5717 -6.5717 -5.9121 -5.9121 -5.8852 -5.8852 -1.0007 -1.0007 0.9066 0.9066 0.9324 0.9324 7.7949 7.7949 7.9839 7.9839 8.0657 8.0657 8.8756 8.8756 8.9286 8.9286 9.1424 9.1424 9.6917 9.6917 9.8835 9.8835 9.9827 9.9827 12.3444 12.3444 12.4371 12.4371 12.6935 12.6935 14.4895 14.4895 k = 0.0802 0.0804-0.0000 ( 2779 PWs) bands (ev): -46.1783 -46.1783 -22.8707 -22.8707 -22.2227 -22.2227 -22.2040 -22.2040 -14.4664 -14.4664 -6.5718 -6.5718 -5.9118 -5.9118 -5.8841 -5.8841 -0.9955 -0.9955 0.9085 0.9085 0.9428 0.9428 7.7683 7.7684 7.9627 7.9627 8.0556 8.0556 8.8302 8.8302 8.9019 8.9019 9.1447 9.1447 9.6509 9.6509 9.8629 9.8629 9.9640 9.9641 12.3672 12.3672 12.4665 12.4665 12.7201 12.7201 14.5087 14.5087 k = 0.0891 0.0893-0.0000 ( 2779 PWs) bands (ev): -46.1783 -46.1783 -22.8711 -22.8711 -22.2234 -22.2234 -22.2041 -22.2041 -14.4632 -14.4632 -6.5718 -6.5718 -5.9115 -5.9115 -5.8828 -5.8828 -0.9899 -0.9899 0.9106 0.9106 0.9541 0.9541 7.7372 7.7372 7.9411 7.9411 8.0447 8.0447 8.7815 8.7815 8.8729 8.8729 9.1474 9.1474 9.6061 9.6061 9.8417 9.8417 9.9437 9.9437 12.3924 12.3924 12.4986 12.4986 12.7491 12.7491 14.5295 14.5295 k = 0.0980 0.0982-0.0000 ( 2783 PWs) bands (ev): -46.1782 -46.1782 -22.8716 -22.8716 -22.2242 -22.2242 -22.2043 -22.2043 -14.4599 -14.4599 -6.5719 -6.5719 -5.9111 -5.9111 -5.8812 -5.8812 -0.9839 -0.9839 0.9129 0.9129 0.9661 0.9661 7.7016 7.7016 7.9190 7.9190 8.0329 8.0329 8.7298 8.7298 8.8418 8.8418 9.1507 9.1507 9.5578 9.5578 9.8200 9.8201 9.9219 9.9219 12.4197 12.4197 12.5329 12.5329 12.7802 12.7803 14.5515 14.5515 k = 0.1069 0.1071-0.0000 ( 2779 PWs) bands (ev): -46.1782 -46.1782 -22.8721 -22.8721 -22.2250 -22.2250 -22.2045 -22.2045 -14.4562 -14.4562 -6.5719 -6.5719 -5.9106 -5.9106 -5.8794 -5.8794 -0.9777 -0.9777 0.9154 0.9154 0.9787 0.9787 7.6619 7.6619 7.8964 7.8964 8.0205 8.0205 8.6755 8.6755 8.8089 8.8089 9.1546 9.1546 9.5067 9.5067 9.7982 9.7982 9.8986 9.8986 12.4491 12.4491 12.5694 12.5694 12.8133 12.8133 14.5746 14.5746 k = 0.1158 0.1161-0.0000 ( 2777 PWs) bands (ev): -46.1782 -46.1782 -22.8726 -22.8726 -22.2259 -22.2259 -22.2048 -22.2048 -14.4523 -14.4523 -6.5719 -6.5719 -5.9102 -5.9102 -5.8772 -5.8772 -0.9712 -0.9712 0.9180 0.9180 0.9917 0.9917 7.6186 7.6186 7.8730 7.8730 8.0076 8.0076 8.6189 8.6189 8.7744 8.7744 9.1591 9.1591 9.4533 9.4533 9.7764 9.7764 9.8742 9.8742 12.4803 12.4803 12.6078 12.6078 12.8481 12.8481 14.5985 14.5985 k = 0.1247 0.1250-0.0000 ( 2773 PWs) bands (ev): -46.1781 -46.1781 -22.8731 -22.8731 -22.2268 -22.2268 -22.2050 -22.2050 -14.4482 -14.4482 -6.5717 -6.5717 -5.9097 -5.9097 -5.8747 -5.8746 -0.9647 -0.9647 0.9208 0.9208 1.0050 1.0050 7.5723 7.5723 7.8484 7.8484 7.9942 7.9942 8.5602 8.5602 8.7384 8.7384 9.1642 9.1642 9.3984 9.3984 9.7547 9.7547 9.8489 9.8489 12.5134 12.5134 12.6478 12.6478 12.8845 12.8845 14.6232 14.6232 k = 0.1336 0.1339-0.0000 ( 2771 PWs) bands (ev): -46.1781 -46.1781 -22.8737 -22.8737 -22.2278 -22.2278 -22.2053 -22.2053 -14.4439 -14.4439 -6.5714 -6.5714 -5.9091 -5.9091 -5.8718 -5.8718 -0.9580 -0.9580 0.9238 0.9238 1.0184 1.0184 7.5234 7.5234 7.8224 7.8224 7.9806 7.9806 8.4995 8.4995 8.7011 8.7011 9.1699 9.1699 9.3427 9.3427 9.7330 9.7330 9.8230 9.8230 12.5482 12.5482 12.6893 12.6893 12.9223 12.9223 14.6484 14.6484 k = 0.1425 0.1429-0.0000 ( 2767 PWs) bands (ev): -46.1780 -46.1780 -22.8743 -22.8743 -22.2289 -22.2289 -22.2055 -22.2055 -14.4393 -14.4393 -6.5710 -6.5710 -5.9085 -5.9085 -5.8686 -5.8686 -0.9514 -0.9514 0.9269 0.9269 1.0317 1.0317 7.4726 7.4726 7.7948 7.7948 7.9668 7.9668 8.4370 8.4370 8.6629 8.6629 9.1762 9.1762 9.2869 9.2869 9.7112 9.7112 9.7973 9.7973 12.5845 12.5845 12.7319 12.7319 12.9614 12.9614 14.6740 14.6740 k = 0.1514 0.1518-0.0000 ( 2763 PWs) bands (ev): -46.1780 -46.1780 -22.8749 -22.8749 -22.2300 -22.2300 -22.2058 -22.2058 -14.4346 -14.4346 -6.5703 -6.5703 -5.9079 -5.9079 -5.8651 -5.8651 -0.9447 -0.9447 0.9301 0.9301 1.0449 1.0449 7.4204 7.4204 7.7655 7.7655 7.9530 7.9530 8.3728 8.3728 8.6238 8.6238 9.1830 9.1830 9.2319 9.2320 9.6887 9.6887 9.7724 9.7724 12.6222 12.6222 12.7756 12.7756 13.0015 13.0015 14.6997 14.6997 k = 0.1603 0.1607-0.0000 ( 2762 PWs) bands (ev): -46.1779 -46.1779 -22.8756 -22.8756 -22.2311 -22.2311 -22.2061 -22.2061 -14.4298 -14.4298 -6.5694 -6.5694 -5.9072 -5.9072 -5.8612 -5.8612 -0.9382 -0.9382 0.9333 0.9333 1.0576 1.0576 7.3671 7.3671 7.7343 7.7343 7.9390 7.9390 8.3069 8.3069 8.5840 8.5840 9.1762 9.1762 9.1923 9.1923 9.6649 9.6649 9.7494 9.7494 12.6612 12.6612 12.8200 12.8200 13.0426 13.0426 14.7256 14.7256 k = 0.1692 0.1696-0.0000 ( 2762 PWs) bands (ev): -46.1779 -46.1779 -22.8763 -22.8763 -22.2323 -22.2323 -22.2064 -22.2064 -14.4248 -14.4248 -6.5682 -6.5682 -5.9065 -5.9065 -5.8571 -5.8571 -0.9318 -0.9318 0.9367 0.9367 1.0699 1.0699 7.3132 7.3132 7.7014 7.7014 7.9250 7.9250 8.2396 8.2396 8.5438 8.5438 9.1254 9.1254 9.1993 9.1993 9.6390 9.6390 9.7293 9.7293 12.7013 12.7013 12.8650 12.8650 13.0845 13.0845 14.7514 14.7514 k = 0.1781 0.1786-0.0000 ( 2756 PWs) bands (ev): -46.1778 -46.1778 -22.8770 -22.8770 -22.2335 -22.2335 -22.2067 -22.2067 -14.4196 -14.4196 -6.5667 -6.5667 -5.9057 -5.9057 -5.8527 -5.8527 -0.9257 -0.9257 0.9401 0.9401 1.0815 1.0815 7.2590 7.2591 7.6666 7.6666 7.9109 7.9109 8.1709 8.1709 8.5032 8.5032 9.0762 9.0762 9.2077 9.2077 9.6107 9.6107 9.7128 9.7128 12.7425 12.7425 12.9104 12.9104 13.1271 13.1271 14.7770 14.7770 k = 0.1870 0.1875-0.0000 ( 2760 PWs) bands (ev): -46.1778 -46.1778 -22.8777 -22.8777 -22.2348 -22.2348 -22.2070 -22.2070 -14.4144 -14.4144 -6.5647 -6.5647 -5.9050 -5.9050 -5.8480 -5.8480 -0.9198 -0.9198 0.9436 0.9436 1.0923 1.0923 7.2050 7.2050 7.6302 7.6302 7.8964 7.8964 8.1011 8.1011 8.4624 8.4624 9.0301 9.0301 9.2165 9.2165 9.5799 9.5799 9.7000 9.7000 12.7845 12.7845 12.9560 12.9560 13.1704 13.1704 14.8024 14.8024 k = 0.1960 0.1964-0.0000 ( 2760 PWs) bands (ev): -46.1778 -46.1778 -22.8785 -22.8785 -22.2360 -22.2360 -22.2074 -22.2074 -14.4092 -14.4092 -6.5624 -6.5624 -5.9041 -5.9041 -5.8432 -5.8432 -0.9142 -0.9142 0.9470 0.9470 1.1023 1.1023 7.1512 7.1512 7.5923 7.5923 7.8809 7.8809 8.0309 8.0309 8.4216 8.4216 8.9876 8.9876 9.2255 9.2255 9.5471 9.5471 9.6908 9.6908 12.8272 12.8272 13.0016 13.0016 13.2142 13.2142 14.8274 14.8274 k = 0.2049 0.2054-0.0000 ( 2756 PWs) bands (ev): -46.1777 -46.1777 -22.8792 -22.8792 -22.2373 -22.2373 -22.2077 -22.2077 -14.4038 -14.4038 -6.5595 -6.5595 -5.9033 -5.9033 -5.8382 -5.8382 -0.9089 -0.9089 0.9503 0.9503 1.1112 1.1112 7.0981 7.0981 7.5530 7.5531 7.8627 7.8627 7.9625 7.9625 8.3809 8.3809 8.9493 8.9493 9.2347 9.2347 9.5128 9.5128 9.6849 9.6849 12.8706 12.8706 13.0472 13.0472 13.2584 13.2584 14.8519 14.8519 k = 0.2138 0.2143-0.0000 ( 2756 PWs) bands (ev): -46.1777 -46.1777 -22.8800 -22.8800 -22.2386 -22.2386 -22.2080 -22.2080 -14.3984 -14.3984 -6.5561 -6.5561 -5.9024 -5.9024 -5.8331 -5.8331 -0.9039 -0.9039 0.9536 0.9536 1.1191 1.1191 7.0457 7.0457 7.5126 7.5126 7.8340 7.8340 7.9034 7.9034 8.3403 8.3403 8.9153 8.9153 9.2440 9.2440 9.4772 9.4773 9.6821 9.6821 12.9145 12.9145 13.0926 13.0926 13.3029 13.3029 14.8759 14.8759 k = 0.2227 0.2232-0.0000 ( 2760 PWs) bands (ev): -46.1776 -46.1776 -22.8808 -22.8808 -22.2400 -22.2400 -22.2084 -22.2084 -14.3930 -14.3930 -6.5521 -6.5521 -5.9015 -5.9015 -5.8280 -5.8280 -0.8994 -0.8994 0.9567 0.9567 1.1259 1.1259 6.9941 6.9941 7.4712 7.4712 7.7810 7.7810 7.8680 7.8680 8.3002 8.3002 8.8861 8.8861 9.2531 9.2531 9.4409 9.4409 9.6822 9.6822 12.9587 12.9587 13.1376 13.1376 13.3476 13.3476 14.8992 14.8992 k = 0.2316 0.2321-0.0000 ( 2754 PWs) bands (ev): -46.1775 -46.1775 -22.8816 -22.8816 -22.2413 -22.2413 -22.2087 -22.2087 -14.3877 -14.3877 -6.5474 -6.5474 -5.9006 -5.9006 -5.8229 -5.8229 -0.8953 -0.8953 0.9597 0.9597 1.1315 1.1315 6.9436 6.9436 7.4289 7.4289 7.7120 7.7120 7.8481 7.8481 8.2604 8.2604 8.8617 8.8617 9.2619 9.2619 9.4042 9.4042 9.6851 9.6851 13.0031 13.0031 13.1821 13.1821 13.3924 13.3924 14.9219 14.9219 k = 0.2405 0.2411-0.0000 ( 2758 PWs) bands (ev): -46.1775 -46.1775 -22.8824 -22.8824 -22.2427 -22.2427 -22.2091 -22.2091 -14.3823 -14.3823 -6.5421 -6.5421 -5.8996 -5.8996 -5.8179 -5.8179 -0.8916 -0.8916 0.9623 0.9623 1.1361 1.1361 6.8942 6.8942 7.3861 7.3861 7.6380 7.6380 7.8329 7.8329 8.2212 8.2212 8.8424 8.8424 9.2700 9.2700 9.3675 9.3675 9.6905 9.6905 13.0476 13.0476 13.2260 13.2260 13.4373 13.4373 14.9439 14.9439 k = 0.2494 0.2500-0.0000 ( 2758 PWs) bands (ev): -46.1774 -46.1774 -22.8832 -22.8832 -22.2441 -22.2441 -22.2094 -22.2094 -14.3770 -14.3770 -6.5361 -6.5361 -5.8987 -5.8987 -5.8131 -5.8131 -0.8883 -0.8883 0.9646 0.9646 1.1396 1.1396 6.8460 6.8460 7.3428 7.3429 7.5624 7.5624 7.8195 7.8195 8.1827 8.1827 8.8282 8.8282 9.2757 9.2757 9.3327 9.3327 9.6983 9.6983 13.0921 13.0921 13.2691 13.2691 13.4821 13.4821 14.9650 14.9650 k = 0.2583 0.2589-0.0000 ( 2750 PWs) bands (ev): -46.1774 -46.1774 -22.8840 -22.8840 -22.2454 -22.2454 -22.2097 -22.2097 -14.3717 -14.3717 -6.5293 -6.5293 -5.8977 -5.8977 -5.8085 -5.8085 -0.8856 -0.8856 0.9665 0.9665 1.1421 1.1421 6.7990 6.7990 7.2994 7.2994 7.4863 7.4863 7.8069 7.8069 8.1448 8.1448 8.8191 8.8191 9.2705 9.2705 9.3086 9.3086 9.7084 9.7084 13.1365 13.1365 13.3115 13.3115 13.5267 13.5267 14.9853 14.9853 k = 0.2672 0.2679-0.0000 ( 2750 PWs) bands (ev): -46.1773 -46.1773 -22.8848 -22.8848 -22.2467 -22.2467 -22.2100 -22.2100 -14.3665 -14.3665 -6.5218 -6.5218 -5.8967 -5.8967 -5.8042 -5.8042 -0.8832 -0.8832 0.9678 0.9678 1.1438 1.1438 6.7532 6.7533 7.2559 7.2559 7.4103 7.4103 7.7949 7.7949 8.1078 8.1078 8.8151 8.8151 9.2427 9.2427 9.3068 9.3068 9.7205 9.7205 13.1805 13.1805 13.3529 13.3529 13.5710 13.5710 15.0048 15.0048 k = 0.2761 0.2768-0.0000 ( 2750 PWs) bands (ev): -46.1773 -46.1773 -22.8856 -22.8856 -22.2481 -22.2481 -22.2104 -22.2104 -14.3614 -14.3614 -6.5135 -6.5135 -5.8957 -5.8957 -5.8002 -5.8002 -0.8814 -0.8814 0.9685 0.9685 1.1448 1.1448 6.7087 6.7087 7.2125 7.2125 7.3349 7.3349 7.7833 7.7833 8.0716 8.0716 8.8160 8.8160 9.2072 9.2072 9.3126 9.3126 9.7345 9.7345 13.2241 13.2241 13.3933 13.3933 13.6149 13.6149 15.0234 15.0234 k = 0.2850 0.2857-0.0000 ( 2746 PWs) bands (ev): -46.1772 -46.1772 -22.8864 -22.8864 -22.2494 -22.2494 -22.2107 -22.2107 -14.3564 -14.3564 -6.5043 -6.5043 -5.8947 -5.8947 -5.7967 -5.7967 -0.8800 -0.8800 0.9685 0.9685 1.1453 1.1453 6.6655 6.6655 7.1694 7.1694 7.2605 7.2605 7.7722 7.7722 8.0364 8.0364 8.8217 8.8217 9.1704 9.1704 9.3199 9.3199 9.7502 9.7502 13.2672 13.2672 13.4327 13.4327 13.6584 13.6584 15.0410 15.0410 k = 0.2939 0.2946-0.0000 ( 2750 PWs) bands (ev): -46.1772 -46.1772 -22.8872 -22.8872 -22.2507 -22.2507 -22.2110 -22.2110 -14.3515 -14.3515 -6.4944 -6.4944 -5.8937 -5.8937 -5.7937 -5.7937 -0.8790 -0.8790 0.9677 0.9677 1.1453 1.1453 6.6234 6.6234 7.1266 7.1266 7.1874 7.1874 7.7614 7.7614 8.0022 8.0022 8.8320 8.8320 9.1334 9.1334 9.3276 9.3276 9.7673 9.7673 13.3097 13.3097 13.4709 13.4709 13.7012 13.7012 15.0578 15.0578 k = 0.3028 0.3036-0.0000 ( 2746 PWs) bands (ev): -46.1771 -46.1771 -22.8879 -22.8879 -22.2519 -22.2519 -22.2113 -22.2113 -14.3467 -14.3467 -6.4837 -6.4837 -5.8927 -5.8927 -5.7913 -5.7913 -0.8785 -0.8785 0.9659 0.9659 1.1452 1.1452 6.5826 6.5826 7.0838 7.0838 7.1166 7.1166 7.7511 7.7511 7.9691 7.9691 8.8466 8.8466 9.0968 9.0968 9.3353 9.3353 9.7855 9.7855 13.3514 13.3514 13.5079 13.5079 13.7433 13.7433 15.0735 15.0735 k = 0.3117 0.3125-0.0000 ( 2746 PWs) bands (ev): -46.1771 -46.1771 -22.8887 -22.8887 -22.2532 -22.2532 -22.2116 -22.2116 -14.3421 -14.3421 -6.4723 -6.4723 -5.8917 -5.8917 -5.7894 -5.7894 -0.8784 -0.8784 0.9632 0.9632 1.1451 1.1451 6.5431 6.5431 7.0364 7.0364 7.0529 7.0529 7.7411 7.7411 7.9370 7.9370 8.8652 8.8652 9.0608 9.0608 9.3430 9.3430 9.8048 9.8048 13.3922 13.3922 13.5436 13.5436 13.7845 13.7845 15.0883 15.0883 k = 0.3207 0.3214-0.0000 ( 2748 PWs) bands (ev): -46.1770 -46.1770 -22.8894 -22.8894 -22.2544 -22.2544 -22.2119 -22.2119 -14.3376 -14.3376 -6.4600 -6.4600 -5.8907 -5.8907 -5.7883 -5.7883 -0.8787 -0.8787 0.9595 0.9595 1.1451 1.1451 6.5047 6.5047 6.9739 6.9739 7.0073 7.0073 7.7315 7.7315 7.9062 7.9062 8.8875 8.8875 9.0254 9.0254 9.3507 9.3507 9.8248 9.8248 13.4320 13.4320 13.5779 13.5779 13.8248 13.8248 15.1022 15.1022 k = 0.3296 0.3304-0.0000 ( 2744 PWs) bands (ev): -46.1770 -46.1770 -22.8901 -22.8901 -22.2556 -22.2556 -22.2122 -22.2122 -14.3333 -14.3333 -6.4470 -6.4470 -5.8897 -5.8897 -5.7878 -5.7878 -0.8794 -0.8794 0.9548 0.9548 1.1453 1.1453 6.4676 6.4676 6.9091 6.9091 6.9675 6.9675 7.7223 7.7223 7.8766 7.8766 8.9130 8.9130 8.9910 8.9910 9.3583 9.3583 9.8453 9.8453 13.4707 13.4707 13.6109 13.6109 13.8639 13.8639 15.1150 15.1150 k = 0.3385 0.3393-0.0000 ( 2736 PWs) bands (ev): -46.1769 -46.1769 -22.8908 -22.8908 -22.2567 -22.2567 -22.2124 -22.2124 -14.3292 -14.3292 -6.4334 -6.4334 -5.8888 -5.8888 -5.7881 -5.7881 -0.8804 -0.8804 0.9492 0.9492 1.1458 1.1458 6.4316 6.4316 6.8462 6.8462 6.9296 6.9296 7.7135 7.7135 7.8482 7.8482 8.9401 8.9401 8.9590 8.9590 9.3659 9.3659 9.8662 9.8662 13.5081 13.5081 13.6425 13.6425 13.9018 13.9018 15.1270 15.1270 k = 0.3474 0.3482-0.0000 ( 2736 PWs) bands (ev): -46.1769 -46.1769 -22.8914 -22.8914 -22.2578 -22.2578 -22.2127 -22.2127 -14.3253 -14.3253 -6.4191 -6.4191 -5.8879 -5.8879 -5.7891 -5.7891 -0.8818 -0.8818 0.9428 0.9428 1.1466 1.1466 6.3968 6.3968 6.7858 6.7858 6.8932 6.8932 7.7052 7.7052 7.8212 7.8212 8.9238 8.9238 8.9738 8.9738 9.3735 9.3735 9.8872 9.8872 13.5443 13.5443 13.6725 13.6725 13.9384 13.9384 15.1380 15.1380 k = 0.3563 0.3571-0.0000 ( 2744 PWs) bands (ev): -46.1768 -46.1768 -22.8921 -22.8921 -22.2589 -22.2589 -22.2130 -22.2130 -14.3216 -14.3216 -6.4042 -6.4042 -5.8870 -5.8870 -5.7910 -5.7910 -0.8834 -0.8834 0.9357 0.9357 1.1478 1.1478 6.3631 6.3631 6.7284 6.7284 6.8583 6.8583 7.6973 7.6973 7.7955 7.7955 8.8929 8.8929 9.0064 9.0064 9.3811 9.3811 9.9081 9.9081 13.5790 13.5790 13.7011 13.7011 13.9736 13.9736 15.1480 15.1480 k = 0.3652 0.3661-0.0000 ( 2746 PWs) bands (ev): -46.1768 -46.1768 -22.8927 -22.8927 -22.2599 -22.2599 -22.2132 -22.2132 -14.3180 -14.3180 -6.3889 -6.3889 -5.8862 -5.8862 -5.7937 -5.7937 -0.8852 -0.8852 0.9281 0.9281 1.1493 1.1493 6.3306 6.3306 6.6741 6.6741 6.8251 6.8251 7.6897 7.6897 7.7712 7.7712 8.8630 8.8630 9.0408 9.0408 9.3886 9.3886 9.9287 9.9287 13.6122 13.6122 13.7281 13.7281 14.0071 14.0071 15.1572 15.1572 k = 0.3741 0.3750-0.0000 ( 2742 PWs) bands (ev): -46.1768 -46.1768 -22.8933 -22.8933 -22.2609 -22.2609 -22.2134 -22.2134 -14.3147 -14.3147 -6.3731 -6.3731 -5.8854 -5.8854 -5.7971 -5.7971 -0.8872 -0.8872 0.9201 0.9201 1.1510 1.1510 6.2994 6.2994 6.6232 6.6232 6.7935 6.7935 7.6827 7.6827 7.7483 7.7483 8.8344 8.8344 9.0761 9.0761 9.3962 9.3962 9.9490 9.9490 13.6437 13.6437 13.7535 13.7535 14.0390 14.0390 15.1655 15.1655 k = 0.3830 0.3839-0.0000 ( 2740 PWs) bands (ev): -46.1767 -46.1767 -22.8939 -22.8939 -22.2618 -22.2618 -22.2137 -22.2137 -14.3116 -14.3116 -6.3570 -6.3570 -5.8847 -5.8847 -5.8013 -5.8013 -0.8894 -0.8894 0.9118 0.9118 1.1529 1.1529 6.2693 6.2693 6.5757 6.5757 6.7637 6.7637 7.6761 7.6761 7.7268 7.7268 8.8073 8.8073 9.1117 9.1117 9.4038 9.4038 9.9686 9.9686 13.6735 13.6735 13.7773 13.7773 14.0691 14.0691 15.1729 15.1729 k = 0.3919 0.3929-0.0000 ( 2750 PWs) bands (ev): -46.1767 -46.1767 -22.8944 -22.8944 -22.2627 -22.2627 -22.2139 -22.2139 -14.3087 -14.3087 -6.3407 -6.3407 -5.8840 -5.8840 -5.8062 -5.8062 -0.8916 -0.8916 0.9036 0.9036 1.1549 1.1549 6.2406 6.2406 6.5319 6.5319 6.7358 6.7358 7.6699 7.6699 7.7068 7.7068 8.7818 8.7818 9.1471 9.1471 9.4115 9.4115 9.9875 9.9875 13.7015 13.7015 13.7994 13.7994 14.0973 14.0973 15.1795 15.1795 k = 0.4008 0.4018-0.0000 ( 2750 PWs) bands (ev): -46.1767 -46.1767 -22.8949 -22.8949 -22.2635 -22.2635 -22.2141 -22.2141 -14.3060 -14.3060 -6.3243 -6.3243 -5.8834 -5.8834 -5.8118 -5.8118 -0.8939 -0.8939 0.8954 0.8954 1.1571 1.1571 6.2132 6.2132 6.4918 6.4918 6.7098 6.7098 7.6642 7.6642 7.6884 7.6884 8.7580 8.7580 9.1816 9.1816 9.4194 9.4194 10.0055 10.0055 13.7276 13.7276 13.8199 13.8199 14.1235 14.1235 15.1854 15.1854 k = 0.4097 0.4107-0.0000 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8954 -22.8954 -22.2643 -22.2643 -22.2143 -22.2143 -14.3035 -14.3035 -6.3080 -6.3080 -5.8828 -5.8828 -5.8179 -5.8179 -0.8962 -0.8962 0.8875 0.8875 1.1592 1.1592 6.1872 6.1872 6.4554 6.4554 6.6858 6.6858 7.6590 7.6590 7.6714 7.6714 8.7359 8.7359 9.2144 9.2144 9.4276 9.4276 10.0224 10.0224 13.7518 13.7518 13.8387 13.8387 14.1477 14.1477 15.1905 15.1905 k = 0.4186 0.4196-0.0000 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8958 -22.8958 -22.2649 -22.2649 -22.2144 -22.2144 -14.3012 -14.3012 -6.2920 -6.2920 -5.8824 -5.8824 -5.8245 -5.8245 -0.8985 -0.8985 0.8799 0.8799 1.1613 1.1613 6.1629 6.1629 6.4229 6.4229 6.6639 6.6639 7.6540 7.6540 7.6563 7.6563 8.7157 8.7157 9.2451 9.2451 9.4362 9.4362 10.0382 10.0382 13.7739 13.7739 13.8558 13.8558 14.1697 14.1697 15.1950 15.1950 k = 0.4275 0.4286-0.0000 ( 2750 PWs) bands (ev): -46.1766 -46.1766 -22.8961 -22.8961 -22.2655 -22.2655 -22.2146 -22.2146 -14.2992 -14.2992 -6.2764 -6.2764 -5.8821 -5.8821 -5.8313 -5.8313 -0.9006 -0.9006 0.8728 0.8728 1.1634 1.1634 6.1404 6.1404 6.3940 6.3940 6.6441 6.6441 7.6419 7.6419 7.6501 7.6501 8.6974 8.6974 9.2729 9.2729 9.4452 9.4452 10.0527 10.0527 13.7939 13.7939 13.8712 13.8712 14.1896 14.1896 15.1989 15.1989 k = 0.4364 0.4375-0.0000 ( 2752 PWs) bands (ev): -46.1766 -46.1766 -22.8965 -22.8965 -22.2661 -22.2661 -22.2147 -22.2147 -14.2974 -14.2974 -6.2616 -6.2616 -5.8819 -5.8819 -5.8382 -5.8382 -0.9027 -0.9027 0.8664 0.8664 1.1653 1.1653 6.1199 6.1199 6.3688 6.3688 6.6265 6.6265 7.6297 7.6297 7.6463 7.6463 8.6810 8.6810 9.2973 9.2973 9.4548 9.4548 10.0658 10.0658 13.8117 13.8117 13.8848 13.8848 14.2072 14.2072 15.2021 15.2021 k = 0.4454 0.4464-0.0000 ( 2748 PWs) bands (ev): -46.1765 -46.1765 -22.8968 -22.8968 -22.2665 -22.2665 -22.2148 -22.2148 -14.2959 -14.2959 -6.2476 -6.2476 -5.8819 -5.8819 -5.8450 -5.8450 -0.9045 -0.9045 0.8606 0.8606 1.1670 1.1670 6.1015 6.1015 6.3472 6.3472 6.6111 6.6111 7.6190 7.6190 7.6430 7.6430 8.6666 8.6666 9.3180 9.3180 9.4647 9.4647 10.0773 10.0773 13.8273 13.8273 13.8967 13.8967 14.2226 14.2226 15.2048 15.2048 k = 0.4543 0.4554-0.0000 ( 2748 PWs) bands (ev): -46.1765 -46.1765 -22.8970 -22.8970 -22.2669 -22.2669 -22.2149 -22.2149 -14.2946 -14.2946 -6.2349 -6.2349 -5.8822 -5.8822 -5.8512 -5.8512 -0.9061 -0.9061 0.8555 0.8555 1.1685 1.1685 6.0855 6.0855 6.3291 6.3291 6.5979 6.5979 7.6098 7.6098 7.6402 7.6402 8.6544 8.6544 9.3348 9.3348 9.4748 9.4748 10.0873 10.0873 13.8406 13.8406 13.9068 13.9068 14.2356 14.2356 15.2071 15.2071 k = 0.4632 0.4643-0.0000 ( 2750 PWs) bands (ev): -46.1765 -46.1765 -22.8972 -22.8972 -22.2673 -22.2673 -22.2150 -22.2150 -14.2935 -14.2935 -6.2238 -6.2238 -5.8827 -5.8827 -5.8567 -5.8567 -0.9075 -0.9075 0.8513 0.8513 1.1698 1.1698 6.0721 6.0721 6.3144 6.3144 6.5870 6.5871 7.6023 7.6023 7.6379 7.6379 8.6442 8.6442 9.3478 9.3478 9.4844 9.4844 10.0956 10.0956 13.8516 13.8516 13.9152 13.9152 14.2464 14.2464 15.2088 15.2088 k = 0.4721 0.4732-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8973 -22.8973 -22.2674 -22.2674 -22.2150 -22.2150 -14.2926 -14.2926 -6.2146 -6.2146 -5.8835 -5.8835 -5.8610 -5.8610 -0.9086 -0.9086 0.8479 0.8479 1.1709 1.1709 6.0614 6.0614 6.3029 6.3029 6.5785 6.5785 7.5964 7.5964 7.6361 7.6361 8.6362 8.6362 9.3574 9.3574 9.4929 9.4929 10.1022 10.1022 13.8603 13.8603 13.9217 13.9217 14.2549 14.2549 15.2102 15.2102 k = 0.4810 0.4821-0.0000 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8974 -22.8974 -22.2677 -22.2677 -22.2150 -22.2150 -14.2920 -14.2920 -6.2076 -6.2076 -5.8845 -5.8845 -5.8640 -5.8640 -0.9095 -0.9095 0.8455 0.8455 1.1716 1.1716 6.0535 6.0535 6.2947 6.2947 6.5723 6.5723 7.5921 7.5921 7.6348 7.6348 8.6304 8.6304 9.3640 9.3640 9.4996 9.4996 10.1070 10.1070 13.8666 13.8666 13.9265 13.9265 14.2610 14.2610 15.2112 15.2112 k = 0.4899 0.4911-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2916 -14.2916 -6.2031 -6.2031 -5.8854 -5.8854 -5.8658 -5.8658 -0.9100 -0.9100 0.8439 0.8439 1.1721 1.1721 6.0486 6.0486 6.2896 6.2896 6.5684 6.5684 7.5895 7.5895 7.6340 7.6340 8.6268 8.6268 9.3680 9.3680 9.5041 9.5041 10.1100 10.1100 13.8705 13.8705 13.9294 13.9294 14.2648 14.2648 15.2117 15.2117 k = 0.4988 0.5000-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0467 6.0467 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3694 9.3694 9.5058 9.5058 10.1112 10.1112 13.8720 13.8720 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k = 0.4988 0.5000-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0467 6.0467 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3694 9.3694 9.5058 9.5058 10.1112 10.1112 13.8720 13.8720 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k = 0.4860 0.5000-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2677 -22.2151 -22.2150 -14.2916 -14.2916 -6.2036 -6.2025 -5.8881 -5.8824 -5.8684 -5.8635 -0.9116 -0.9084 0.8413 0.8465 1.1714 1.1729 6.0484 6.0484 6.2887 6.2893 6.5689 6.5691 7.5889 7.5891 7.6343 7.6345 8.6267 8.6267 9.3676 9.3685 9.5039 9.5043 10.1100 10.1102 13.8702 13.8711 13.9289 13.9299 14.2646 14.2651 15.2117 15.2117 k = 0.4732 0.5000-0.0000 ( 2739 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8974 -22.2678 -22.2676 -22.2151 -22.2150 -14.2920 -14.2920 -6.2086 -6.2064 -5.8895 -5.8785 -5.8693 -5.8600 -0.9126 -0.9063 0.8402 0.8506 1.1702 1.1731 6.0529 6.0529 6.2920 6.2933 6.5747 6.5750 7.5902 7.5905 7.6365 7.6369 8.6302 8.6303 9.3633 9.3651 9.4990 9.5000 10.1070 10.1074 13.8658 13.8677 13.9254 13.9273 14.2607 14.2615 15.2109 15.2110 k = 0.4604 0.5000-0.0000 ( 2741 PWs) bands (ev): -46.1765 -46.1765 -22.8974 -22.8972 -22.2676 -22.2673 -22.2150 -22.2149 -14.2926 -14.2926 -6.2162 -6.2130 -5.8898 -5.8747 -5.8687 -5.8559 -0.9134 -0.9039 0.8402 0.8557 1.1687 1.1731 6.0602 6.0602 6.2975 6.2994 6.5843 6.5846 7.5919 7.5924 7.6405 7.6410 8.6359 8.6360 9.3566 9.3593 9.4913 9.4927 10.1023 10.1028 13.8583 13.8609 13.9207 13.9235 14.2544 14.2557 15.2097 15.2097 k = 0.4476 0.5000-0.0000 ( 2743 PWs) bands (ev): -46.1765 -46.1765 -22.8973 -22.8971 -22.2674 -22.2670 -22.2150 -22.2149 -14.2935 -14.2935 -6.2262 -6.2222 -5.8891 -5.8723 -5.8653 -5.8514 -0.9137 -0.9013 0.8411 0.8616 1.1670 1.1727 6.0699 6.0700 6.3052 6.3075 6.5979 6.5982 7.5936 7.5941 7.6468 7.6475 8.6438 8.6439 9.3476 9.3511 9.4808 9.4828 10.0956 10.0963 13.8469 13.8501 13.9160 13.9192 14.2460 14.2477 15.2079 15.2079 k = 0.4348 0.5000-0.0000 ( 2747 PWs) bands (ev): -46.1765 -46.1765 -22.8971 -22.8968 -22.2672 -22.2667 -22.2149 -22.2148 -14.2946 -14.2946 -6.2383 -6.2337 -5.8875 -5.8708 -5.8599 -5.8465 -0.9138 -0.8983 0.8431 0.8685 1.1650 1.1721 6.0819 6.0820 6.3150 6.3178 6.6156 6.6158 7.5949 7.5955 7.6557 7.6564 8.6538 8.6540 9.3362 9.3406 9.4677 9.4702 10.0871 10.0880 13.8311 13.8344 13.9119 13.9153 14.2355 14.2377 15.2055 15.2056 k = 0.4221 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.1765 -46.1765 -22.8970 -22.8966 -22.2669 -22.2663 -22.2149 -22.2147 -14.2959 -14.2959 -6.2525 -6.2474 -5.8850 -5.8690 -5.8539 -5.8415 -0.9134 -0.8952 0.8460 0.8761 1.1628 1.1713 6.0957 6.0959 6.3271 6.3302 6.6376 6.6377 7.5956 7.5962 7.6673 7.6681 8.6660 8.6661 9.3225 9.3278 9.4523 9.4552 10.0766 10.0776 13.8106 13.8138 13.9086 13.9119 14.2231 14.2257 15.2026 15.2026 k = 0.4093 0.5000-0.0000 ( 2746 PWs) bands (ev): -46.1766 -46.1766 -22.8967 -22.8962 -22.2664 -22.2657 -22.2147 -22.2145 -14.2974 -14.2974 -6.2684 -6.2629 -5.8818 -5.8668 -5.8476 -5.8363 -0.9128 -0.8918 0.8499 0.8846 1.1604 1.1702 6.1110 6.1112 6.3416 6.3448 6.6637 6.6641 7.5958 7.5963 7.6816 7.6824 8.6802 8.6804 9.3066 9.3127 9.4346 9.4381 10.0640 10.0652 13.7856 13.7886 13.9060 13.9091 14.2091 14.2121 15.1989 15.1989 k = 0.3965 0.5000-0.0000 ( 2752 PWs) bands (ev): -46.1766 -46.1766 -22.8964 -22.8959 -22.2659 -22.2652 -22.2146 -22.2144 -14.2992 -14.2991 -6.2858 -6.2801 -5.8780 -5.8642 -5.8411 -5.8310 -0.9117 -0.8882 0.8548 0.8939 1.1578 1.1690 6.1272 6.1274 6.3587 6.3619 6.6940 6.6949 7.5954 7.5959 7.6985 7.6992 8.6964 8.6966 9.2884 9.2953 9.4151 9.4191 10.0494 10.0507 13.7564 13.7590 13.9039 13.9067 14.1936 14.1970 15.1945 15.1945 k = 0.3837 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1766 -46.1766 -22.8961 -22.8956 -22.2654 -22.2646 -22.2145 -22.2142 -14.3011 -14.3010 -6.3045 -6.2986 -5.8738 -5.8613 -5.8345 -5.8256 -0.9104 -0.8845 0.8607 0.9038 1.1552 1.1676 6.1438 6.1439 6.3788 6.3817 6.7285 6.7300 7.5947 7.5951 7.7177 7.7184 8.7145 8.7148 9.2680 9.2756 9.3941 9.3985 10.0326 10.0341 13.7231 13.7256 13.9022 13.9047 14.1769 14.1806 15.1892 15.1892 k = 0.3709 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1766 -46.1766 -22.8957 -22.8951 -22.2648 -22.2639 -22.2143 -22.2140 -14.3032 -14.3031 -6.3243 -6.3184 -5.8693 -5.8582 -5.8278 -5.8201 -0.9087 -0.8806 0.8675 0.9144 1.1525 1.1660 6.1602 6.1602 6.4021 6.4046 6.7671 6.7694 7.5936 7.5940 7.7390 7.7397 8.7346 8.7349 9.2454 9.2536 9.3720 9.3768 10.0135 10.0151 13.6863 13.6885 13.9006 13.9029 14.1592 14.1633 15.1829 15.1830 k = 0.3581 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1767 -46.1767 -22.8953 -22.8947 -22.2642 -22.2632 -22.2141 -22.2138 -14.3054 -14.3054 -6.3451 -6.3392 -5.8647 -5.8550 -5.8209 -5.8145 -0.9066 -0.8765 0.8752 0.9256 1.1497 1.1644 6.1757 6.1760 6.4290 6.4309 6.8095 6.8127 7.5923 7.5926 7.7623 7.7629 8.7565 8.7567 9.2205 9.2291 9.3494 9.3543 9.9921 9.9938 13.6461 13.6480 13.8992 13.9013 14.1407 14.1452 15.1756 15.1758 k = 0.3453 0.5000-0.0000 ( 2755 PWs) bands (ev): -46.1767 -46.1767 -22.8949 -22.8942 -22.2635 -22.2625 -22.2139 -22.2136 -14.3078 -14.3078 -6.3666 -6.3608 -5.8601 -5.8520 -5.8138 -5.8087 -0.9043 -0.8724 0.8837 0.9374 1.1471 1.1627 6.1902 6.1907 6.4597 6.4608 6.8554 6.8596 7.5908 7.5911 7.7874 7.7880 8.7801 8.7804 9.1935 9.2022 9.3268 9.3317 9.9682 9.9701 13.6028 13.6045 13.8978 13.8997 14.1219 14.1267 15.1671 15.1673 k = 0.3325 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1767 -46.1767 -22.8944 -22.8938 -22.2628 -22.2618 -22.2136 -22.2133 -14.3104 -14.3103 -6.3887 -6.3830 -5.8558 -5.8492 -5.8065 -5.8026 -0.9017 -0.8682 0.8931 0.9495 1.1445 1.1611 6.2035 6.2042 6.4943 6.4945 6.9044 6.9098 7.5892 7.5894 7.8142 7.8147 8.8053 8.8056 9.1642 9.1729 9.3046 9.3094 9.9419 9.9438 13.5567 13.5582 13.8965 13.8982 14.1028 14.1080 15.1572 15.1575 k = 0.3197 0.5000-0.0000 ( 2754 PWs) bands (ev): -46.1768 -46.1768 -22.8939 -22.8932 -22.2621 -22.2609 -22.2133 -22.2130 -14.3130 -14.3130 -6.4113 -6.4057 -5.8520 -5.8467 -5.7989 -5.7961 -0.8987 -0.8640 0.9032 0.9620 1.1422 1.1594 6.2154 6.2165 6.5318 6.5326 6.9561 6.9627 7.5874 7.5876 7.8424 7.8429 8.8321 8.8325 9.1328 9.1412 9.2834 9.2879 9.9130 9.9150 13.5080 13.5095 13.8952 13.8967 14.0838 14.0893 15.1459 15.1463 k = 0.3070 0.5000-0.0000 ( 2762 PWs) bands (ev): -46.1768 -46.1768 -22.8935 -22.8927 -22.2613 -22.2602 -22.2131 -22.2127 -14.3158 -14.3157 -6.4341 -6.4287 -5.8486 -5.8446 -5.7910 -5.7892 -0.8956 -0.8597 0.9139 0.9747 1.1401 1.1579 6.2262 6.2276 6.5727 6.5745 7.0100 7.0179 7.5856 7.5857 7.8719 7.8723 8.8604 8.8607 9.0994 9.1074 9.2637 9.2677 9.8815 9.8835 13.4572 13.4584 13.8939 13.8952 14.0650 14.0709 15.1329 15.1335 k = 0.2942 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.1768 -46.1768 -22.8929 -22.8922 -22.2606 -22.2594 -22.2127 -22.2124 -14.3186 -14.3186 -6.4572 -6.4519 -5.8459 -5.8430 -5.7828 -5.7819 -0.8922 -0.8555 0.9253 0.9875 1.1384 1.1566 6.2360 6.2376 6.6169 6.6197 7.0656 7.0748 7.5837 7.5838 7.9025 7.9029 8.8900 8.8903 9.0643 9.0716 9.2458 9.2492 9.8473 9.8493 13.4043 13.4055 13.8926 13.8937 14.0468 14.0530 15.1182 15.1189 k = 0.2814 0.5000-0.0000 ( 2756 PWs) bands (ev): -46.1769 -46.1769 -22.8924 -22.8916 -22.2597 -22.2585 -22.2123 -22.2120 -14.3215 -14.3215 -6.4802 -6.4751 -5.8438 -5.8418 -5.7744 -5.7741 -0.8886 -0.8513 0.9372 1.0002 1.1373 1.1554 6.2448 6.2466 6.6642 6.6681 7.1221 7.1328 7.5818 7.5819 7.9340 7.9343 8.9207 8.9210 9.0276 9.0342 9.2302 9.2330 9.8104 9.8124 13.3498 13.3509 13.8912 13.8923 14.0293 14.0358 15.1014 15.1023 k = 0.2686 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.1769 -46.1769 -22.8919 -22.8911 -22.2590 -22.2578 -22.2120 -22.2116 -14.3245 -14.3244 -6.5032 -6.4983 -5.8423 -5.8411 -5.7659 -5.7658 -0.8848 -0.8472 0.9494 1.0125 1.1368 1.1545 6.2529 6.2549 6.7142 6.7192 7.1790 7.1913 7.5798 7.5799 7.9662 7.9664 8.9524 8.9525 8.9900 8.9956 9.2172 9.2194 9.7709 9.7727 13.2940 13.2949 13.8899 13.8908 14.0128 14.0195 15.0826 15.0837 k = 0.2558 0.5000-0.0000 ( 2760 PWs) bands (ev): -46.1770 -46.1770 -22.8913 -22.8906 -22.2582 -22.2570 -22.2116 -22.2112 -14.3274 -14.3273 -6.5259 -6.5213 -5.8414 -5.8408 -5.7575 -5.7570 -0.8809 -0.8432 0.9619 1.0243 1.1372 1.1540 6.2605 6.2625 6.7668 6.7729 7.2357 7.2495 7.5779 7.5780 7.9989 7.9991 8.9500 8.9552 8.9859 8.9864 9.2072 9.2089 9.7286 9.7303 13.2370 13.2379 13.8885 13.8893 13.9973 14.0043 15.0615 15.0628 k = 0.2430 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.1770 -46.1770 -22.8908 -22.8900 -22.2574 -22.2562 -22.2111 -22.2108 -14.3304 -14.3303 -6.5483 -6.5439 -5.8410 -5.8408 -5.7488 -5.7481 -0.8768 -0.8393 0.9745 1.0352 1.1387 1.1538 6.2675 6.2696 6.8216 6.8288 7.2914 7.3070 7.5761 7.5761 8.0320 8.0320 8.9108 8.9151 9.0192 9.0196 9.2008 9.2019 9.6837 9.6852 13.1794 13.1801 13.8871 13.8877 13.9830 13.9903 15.0379 15.0395 k = 0.2302 0.5000-0.0000 ( 2761 PWs) bands (ev): -46.1770 -46.1770 -22.8902 -22.8895 -22.2567 -22.2555 -22.2106 -22.2103 -14.3333 -14.3333 -6.5703 -6.5661 -5.8412 -5.8411 -5.7400 -5.7392 -0.8727 -0.8355 0.9870 1.0449 1.1415 1.1542 6.2741 6.2763 6.8783 6.8867 7.3456 7.3629 7.5742 7.5742 8.0651 8.0651 8.8710 8.8746 9.0532 9.0536 9.1982 9.1988 9.6362 9.6374 13.1213 13.1220 13.8857 13.8862 13.9700 13.9776 15.0117 15.0136 k = 0.2174 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1771 -46.1771 -22.8897 -22.8889 -22.2559 -22.2548 -22.2101 -22.2098 -14.3362 -14.3362 -6.5917 -6.5877 -5.8420 -5.8416 -5.7312 -5.7303 -0.8685 -0.8320 0.9993 1.0532 1.1459 1.1552 6.2804 6.2827 6.9365 6.9461 7.3978 7.4169 7.5724 7.5724 8.0980 8.0982 8.8312 8.8340 9.0876 9.0881 9.1998 9.1998 9.5863 9.5870 13.0632 13.0638 13.8842 13.8846 13.9584 13.9664 14.9829 14.9851 k = 0.2046 0.5000-0.0000 ( 2757 PWs) bands (ev): -46.1771 -46.1771 -22.8892 -22.8884 -22.2552 -22.2541 -22.2097 -22.2094 -14.3391 -14.3390 -6.6125 -6.6087 -5.8430 -5.8424 -5.7225 -5.7215 -0.8642 -0.8286 1.0111 1.0599 1.1517 1.1568 6.2865 6.2888 6.9960 7.0068 7.4474 7.4684 7.5707 7.5707 8.1306 8.1309 8.7917 8.7938 9.1221 9.1225 9.2052 9.2059 9.5341 9.5342 13.0053 13.0058 13.8828 13.8831 13.9483 13.9566 14.9514 14.9539 k = 0.1918 0.5000-0.0000 ( 2761 PWs) bands (ev): -46.1771 -46.1771 -22.8887 -22.8880 -22.2546 -22.2535 -22.2092 -22.2089 -14.3419 -14.3418 -6.6325 -6.6290 -5.8442 -5.8435 -5.7138 -5.7129 -0.8599 -0.8254 1.0223 1.0651 1.1590 1.1593 6.2923 6.2946 7.0561 7.0682 7.4943 7.5172 7.5690 7.5691 8.1626 8.1630 8.7529 8.7543 9.1563 9.1567 9.2149 9.2166 9.4792 9.4801 12.9481 12.9486 13.8814 13.8815 13.9397 13.9482 14.9172 14.9201 k = 0.1791 0.5000-0.0000 ( 2761 PWs) bands (ev): -46.1772 -46.1772 -22.8882 -22.8875 -22.2540 -22.2529 -22.2086 -22.2084 -14.3446 -14.3445 -6.6517 -6.6484 -5.8455 -5.8448 -5.7054 -5.7045 -0.8557 -0.8225 1.0327 1.0690 1.1627 1.1673 6.2979 6.3002 7.1164 7.1298 7.5382 7.5630 7.5677 7.5679 8.1938 8.1944 8.7149 8.7157 9.1897 9.1900 9.2284 9.2317 9.4226 9.4253 12.8918 12.8923 13.8800 13.8800 13.9326 13.9413 14.8805 14.8838 k = 0.1663 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.1772 -46.1772 -22.8877 -22.8870 -22.2534 -22.2524 -22.2081 -22.2079 -14.3472 -14.3471 -6.6699 -6.6668 -5.8470 -5.8462 -5.6973 -5.6965 -0.8515 -0.8198 1.0420 1.0719 1.1670 1.1764 6.3033 6.3055 7.1761 7.1907 7.5645 7.5659 7.5821 7.6070 8.2240 8.2247 8.6782 8.6785 9.2206 9.2211 9.2441 9.2501 9.3663 9.3727 12.8369 12.8373 13.8786 13.8786 13.9269 13.9359 14.8415 14.8452 k = 0.1535 0.5000-0.0000 ( 2766 PWs) bands (ev): -46.1772 -46.1772 -22.8872 -22.8866 -22.2528 -22.2519 -22.2076 -22.2074 -14.3497 -14.3496 -6.6871 -6.6843 -5.8486 -5.8478 -5.6895 -5.6887 -0.8474 -0.8173 1.0501 1.0740 1.1723 1.1857 6.3086 6.3107 7.2345 7.2501 7.5639 7.5645 7.6217 7.6487 8.2530 8.2538 8.6427 8.6429 9.2345 9.2435 9.2629 9.2670 9.3217 9.3349 12.7838 12.7842 13.8773 13.8773 13.9227 13.9318 14.8006 14.8047 k = 0.1407 0.5000-0.0000 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8868 -22.8862 -22.2523 -22.2514 -22.2071 -22.2069 -14.3520 -14.3519 -6.7032 -6.7006 -5.8502 -5.8494 -5.6821 -5.6814 -0.8433 -0.8152 1.0571 1.0756 1.1785 1.1951 6.3136 6.3156 7.2902 7.3067 7.5627 7.5632 7.6617 7.6896 8.2805 8.2815 8.6088 8.6094 9.2034 9.2144 9.2893 9.2901 9.3237 9.3341 12.7329 12.7332 13.8760 13.8762 13.9198 13.9290 14.7581 14.7626 k = 0.1279 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.1773 -46.1773 -22.8864 -22.8858 -22.2518 -22.2510 -22.2067 -22.2065 -14.3542 -14.3541 -6.7182 -6.7158 -5.8517 -5.8510 -5.6751 -5.6746 -0.8394 -0.8133 1.0629 1.0768 1.1854 1.2041 6.3183 6.3203 7.3422 7.3589 7.5615 7.5620 7.7028 7.7310 8.3064 8.3074 8.5770 8.5779 9.1474 9.1547 9.3178 9.3192 9.3495 9.3561 12.6845 12.6848 13.8750 13.8752 13.9181 13.9274 14.7148 14.7196 k = 0.1151 0.5000-0.0000 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8860 -22.8855 -22.2514 -22.2506 -22.2062 -22.2061 -14.3562 -14.3561 -6.7319 -6.7298 -5.8533 -5.8526 -5.6687 -5.6682 -0.8357 -0.8118 1.0676 1.0778 1.1928 1.2125 6.3228 6.3246 7.3891 7.4052 7.5605 7.5609 7.7468 7.7742 8.3304 8.3315 8.5476 8.5486 9.0838 9.0891 9.3468 9.3480 9.3796 9.3845 12.6391 12.6393 13.8740 13.8743 13.9177 13.9269 14.6714 14.6764 k = 0.1023 0.5000-0.0000 ( 2772 PWs) bands (ev): -46.1774 -46.1774 -22.8857 -22.8852 -22.2510 -22.2503 -22.2058 -22.2057 -14.3580 -14.3580 -6.7444 -6.7425 -5.8548 -5.8541 -5.6628 -5.6624 -0.8321 -0.8105 1.0713 1.0786 1.2004 1.2203 6.3270 6.3287 7.4296 7.4445 7.5595 7.5600 7.7949 7.8205 8.3523 8.3535 8.5206 8.5218 9.0172 9.0211 9.3749 9.3758 9.4104 9.4145 12.5970 12.5972 13.8733 13.8735 13.9183 13.9273 14.6285 14.6338 k = 0.0895 0.5000-0.0000 ( 2771 PWs) bands (ev): -46.1774 -46.1774 -22.8854 -22.8850 -22.2506 -22.2500 -22.2054 -22.2053 -14.3597 -14.3596 -6.7555 -6.7538 -5.8561 -5.8555 -5.6575 -5.6572 -0.8287 -0.8096 1.0743 1.0793 1.2081 1.2272 6.3309 6.3324 7.4632 7.4761 7.5586 7.5592 7.8477 7.8708 8.3720 8.3732 8.4965 8.4975 8.9491 8.9519 9.4012 9.4018 9.4410 9.4445 12.5587 12.5589 13.8726 13.8729 13.9198 13.9286 14.5873 14.5927 k = 0.0767 0.5000-0.0000 ( 2763 PWs) bands (ev): -46.1774 -46.1774 -22.8850 -22.8847 -22.2503 -22.2498 -22.2050 -22.2049 -14.3611 -14.3611 -6.7651 -6.7637 -5.8573 -5.8568 -5.6529 -5.6526 -0.8256 -0.8089 1.0766 1.0799 1.2155 1.2331 6.3344 6.3357 7.4899 7.5006 7.5579 7.5586 7.9049 7.9249 8.3891 8.3905 8.4753 8.4762 8.8804 8.8822 9.4249 9.4253 9.4703 9.4733 12.5246 12.5248 13.8721 13.8724 13.9222 13.9304 14.5487 14.5539 k = 0.0639 0.5000-0.0000 ( 2765 PWs) bands (ev): -46.1774 -46.1774 -22.8848 -22.8845 -22.2500 -22.2496 -22.2047 -22.2046 -14.3624 -14.3623 -6.7734 -6.7722 -5.8584 -5.8580 -5.6489 -5.6486 -0.8226 -0.8086 1.0783 1.0804 1.2224 1.2380 6.3374 6.3385 7.5103 7.5187 7.5574 7.5581 7.9652 7.9820 8.4036 8.4050 8.4572 8.4578 8.8122 8.8132 9.4455 9.4458 9.4973 9.4998 12.4951 12.4952 13.8717 13.8720 13.9253 13.9327 14.5136 14.5186 k = 0.0512 0.5000-0.0000 ( 2761 PWs) bands (ev): -46.1774 -46.1774 -22.8846 -22.8843 -22.2497 -22.2494 -22.2045 -22.2044 -14.3634 -14.3634 -6.7802 -6.7792 -5.8593 -5.8590 -5.6456 -5.6454 -0.8199 -0.8087 1.0796 1.0809 1.2287 1.2417 6.3400 6.3409 7.5252 7.5316 7.5572 7.5579 8.0268 8.0404 8.4150 8.4166 8.4425 8.4427 8.7458 8.7460 9.4628 9.4630 9.5210 9.5230 12.4704 12.4704 13.8714 13.8716 13.9286 13.9351 14.4832 14.4876 k = 0.0384 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.1774 -46.1774 -22.8844 -22.8842 -22.2496 -22.2493 -22.2043 -22.2042 -14.3642 -14.3642 -6.7855 -6.7847 -5.8600 -5.8597 -5.6430 -5.6428 -0.8175 -0.8090 1.0805 1.0813 1.2341 1.2442 6.3421 6.3428 7.5356 7.5401 7.5573 7.5580 8.0870 8.0975 8.4227 8.4243 8.4314 8.4316 8.6831 8.6835 9.4765 9.4767 9.5405 9.5421 12.4508 12.4509 13.8712 13.8714 13.9320 13.9372 14.4584 14.4621 k = 0.0256 0.5000-0.0000 ( 2764 PWs) bands (ev): -46.1774 -46.1774 -22.8843 -22.8842 -22.2494 -22.2492 -22.2041 -22.2041 -14.3648 -14.3648 -6.7892 -6.7887 -5.8605 -5.8603 -5.6411 -5.6410 -0.8153 -0.8096 1.0812 1.0815 1.2387 1.2455 6.3436 6.3441 7.5422 7.5451 7.5578 7.5583 8.1415 8.1490 8.4222 8.4230 8.4278 8.4297 8.6287 8.6295 9.4864 9.4866 9.5551 9.5561 12.4367 12.4367 13.8710 13.8711 13.9352 13.9388 14.4402 14.4428 k = 0.0128 0.5000-0.0000 ( 2759 PWs) bands (ev): -46.1774 -46.1774 -22.8842 -22.8841 -22.2493 -22.2492 -22.2040 -22.2040 -14.3651 -14.3651 -6.7914 -6.7912 -5.8608 -5.8607 -5.6399 -5.6399 -0.8135 -0.8106 1.0815 1.0817 1.2421 1.2456 6.3446 6.3448 7.5459 7.5472 7.5585 7.5588 8.1830 8.1871 8.4185 8.4198 8.4273 8.4293 8.5901 8.5907 9.4925 9.4925 9.5642 9.5647 12.4281 12.4281 13.8709 13.8710 13.9376 13.9395 14.4292 14.4306 k = 0.0000 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1774 -46.1774 -22.8841 -22.8841 -22.2492 -22.2492 -22.2040 -22.2040 -14.3652 -14.3652 -6.7921 -6.7921 -5.8609 -5.8609 -5.6395 -5.6395 -0.8119 -0.8119 1.0817 1.0817 1.2444 1.2444 6.3450 6.3450 7.5474 7.5474 7.5589 7.5589 8.2005 8.2005 8.4185 8.4185 8.4269 8.4269 8.5761 8.5761 9.4945 9.4945 9.5674 9.5674 12.4252 12.4252 13.8709 13.8709 13.9391 13.9391 14.4260 14.4260 k = 0.0000 0.5000-0.0000 ( 2758 PWs) bands (ev): -46.1774 -46.1774 -22.8841 -22.8841 -22.2492 -22.2492 -22.2040 -22.2040 -14.3652 -14.3652 -6.7921 -6.7921 -5.8609 -5.8609 -5.6395 -5.6395 -0.8119 -0.8119 1.0817 1.0817 1.2444 1.2444 6.3450 6.3450 7.5474 7.5474 7.5589 7.5589 8.2005 8.2005 8.4185 8.4185 8.4269 8.4269 8.5761 8.5761 9.4945 9.4945 9.5674 9.5674 12.4252 12.4252 13.8709 13.8709 13.9391 13.9391 14.4260 14.4260 k = 0.0000 0.5000 0.0126 ( 2758 PWs) bands (ev): -46.1774 -46.1774 -22.8841 -22.8841 -22.2492 -22.2492 -22.2040 -22.2040 -14.3651 -14.3651 -6.7914 -6.7912 -5.8608 -5.8606 -5.6400 -5.6398 -0.8125 -0.8117 1.0809 1.0823 1.2435 1.2441 6.3445 6.3450 7.5449 7.5496 7.5566 7.5611 8.1988 8.2013 8.3441 8.3517 8.4890 8.4937 8.5813 8.5843 9.4793 9.4950 9.5615 9.5781 12.4269 12.4284 13.8702 13.8716 13.9385 13.9399 14.4292 14.4298 k = 0.0000 0.5000 0.0251 ( 2756 PWs) bands (ev): -46.1774 -46.1774 -22.8842 -22.8841 -22.2492 -22.2492 -22.2042 -22.2041 -14.3648 -14.3648 -6.7892 -6.7889 -5.8604 -5.8600 -5.6411 -5.6408 -0.8134 -0.8118 1.0800 1.0826 1.2413 1.2425 6.3434 6.3444 7.5421 7.5509 7.5546 7.5631 8.1897 8.2028 8.2655 8.2862 8.5283 8.5362 8.6174 8.6190 9.4551 9.4786 9.5627 9.5879 12.4333 12.4362 13.8695 13.8722 13.9382 13.9408 14.4395 14.4406 k = 0.0000 0.5000 0.0377 ( 2756 PWs) bands (ev): -46.1774 -46.1774 -22.8843 -22.8842 -22.2493 -22.2492 -22.2044 -22.2043 -14.3642 -14.3642 -6.7856 -6.7851 -5.8597 -5.8590 -5.6429 -5.6425 -0.8146 -0.8123 1.0788 1.0827 1.2379 1.2396 6.3418 6.3432 7.5389 7.5496 7.5546 7.5648 8.1523 8.1863 8.2051 8.2503 8.5352 8.5487 8.6835 8.6853 9.4251 9.4513 9.5654 9.5941 12.4444 12.4487 13.8689 13.8728 13.9382 13.9419 14.4564 14.4580 k = 0.0000 0.5000 0.0503 ( 2762 PWs) bands (ev): -46.1774 -46.1774 -22.8845 -22.8844 -22.2494 -22.2493 -22.2048 -22.2047 -14.3634 -14.3634 -6.7805 -6.7799 -5.8587 -5.8577 -5.6454 -5.6449 -0.8162 -0.8131 1.0774 1.0826 1.2333 1.2355 6.3397 6.3416 7.5350 7.5462 7.5557 7.5660 8.0862 8.1074 8.2082 8.2443 8.5331 8.5518 8.7575 8.7603 9.3908 9.4177 9.5656 9.5957 12.4604 12.4659 13.8686 13.8735 13.9383 13.9431 14.4793 14.4815 k = 0.0000 0.5000 0.0629 ( 2766 PWs) bands (ev): -46.1774 -46.1774 -22.8847 -22.8846 -22.2494 -22.2493 -22.2053 -22.2051 -14.3624 -14.3623 -6.7739 -6.7731 -5.8574 -5.8562 -5.6486 -5.6479 -0.8182 -0.8143 1.0758 1.0823 1.2277 1.2303 6.3371 6.3394 7.5300 7.5414 7.5568 7.5668 8.0120 8.0294 8.2115 8.2477 8.5288 8.5528 8.8332 8.8367 9.3534 9.3801 9.5617 9.5925 12.4810 12.4877 13.8686 13.8745 13.9386 13.9443 14.5077 14.5102 k = 0.0000 0.5000 0.0754 ( 2772 PWs) bands (ev): -46.1774 -46.1774 -22.8850 -22.8848 -22.2495 -22.2494 -22.2059 -22.2057 -14.3611 -14.3611 -6.7660 -6.7650 -5.8557 -5.8543 -5.6524 -5.6516 -0.8204 -0.8158 1.0740 1.0816 1.2210 1.2241 6.3341 6.3367 7.5231 7.5348 7.5576 7.5671 7.9365 7.9529 8.2144 8.2532 8.5245 8.5537 8.9088 8.9126 9.3137 9.3399 9.5536 9.5846 12.5062 12.5139 13.8692 13.8758 13.9391 13.9456 14.5405 14.5433 k = 0.0000 0.5000 0.0880 ( 2768 PWs) bands (ev): -46.1774 -46.1774 -22.8852 -22.8850 -22.2496 -22.2494 -22.2065 -22.2062 -14.3597 -14.3596 -6.7566 -6.7555 -5.8538 -5.8522 -5.6569 -5.6560 -0.8229 -0.8177 1.0719 1.0806 1.2135 1.2169 6.3307 6.3336 7.5132 7.5257 7.5582 7.5669 7.8616 7.8787 8.2163 8.2584 8.5218 8.5559 8.9834 8.9874 9.2729 9.2982 9.5413 9.5722 12.5359 12.5445 13.8703 13.8777 13.9396 13.9470 14.5768 14.5799 k = 0.0000 0.5000 0.1006 ( 2768 PWs) bands (ev): -46.1773 -46.1773 -22.8855 -22.8853 -22.2496 -22.2495 -22.2072 -22.2069 -14.3580 -14.3579 -6.7459 -6.7447 -5.8516 -5.8498 -5.6619 -5.6609 -0.8258 -0.8198 1.0694 1.0792 1.2053 1.2090 6.3270 6.3301 7.4987 7.5128 7.5587 7.5664 7.7887 7.8078 8.2161 8.2613 8.5221 8.5603 9.0562 9.0603 9.2324 9.2563 9.5252 9.5559 12.5699 12.5792 13.8722 13.8803 13.9402 13.9484 14.6158 14.6190 k = 0.0000 0.5000 0.1132 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8858 -22.8855 -22.2497 -22.2495 -22.2079 -22.2076 -14.3561 -14.3561 -6.7340 -6.7326 -5.8492 -5.8471 -5.6675 -5.6664 -0.8289 -0.8223 1.0666 1.0772 1.1966 1.2005 6.3230 6.3263 7.4778 7.4945 7.5592 7.5659 7.7194 7.7415 8.2132 8.2604 8.5267 8.5678 9.1224 9.1295 9.1976 9.2167 9.5056 9.5360 12.6079 12.6179 13.8748 13.8837 13.9409 13.9499 14.6563 14.6597 k = 0.0000 0.5000 0.1257 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8861 -22.8859 -22.2498 -22.2496 -22.2087 -22.2084 -14.3541 -14.3540 -6.7207 -6.7192 -5.8466 -5.8443 -5.6737 -5.6725 -0.8322 -0.8251 1.0632 1.0747 1.1876 1.1916 6.3187 6.3222 7.4484 7.4682 7.5597 7.5654 7.6556 7.6811 8.2068 8.2547 8.5366 8.5790 9.1353 9.1626 9.2091 9.2193 9.4832 9.5132 12.6497 12.6602 13.8783 13.8881 13.9415 13.9515 14.6975 14.7010 k = 0.0000 0.5000 0.1383 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8865 -22.8863 -22.2500 -22.2498 -22.2096 -22.2093 -14.3519 -14.3518 -6.7064 -6.7047 -5.8438 -5.8413 -5.6804 -5.6791 -0.8358 -0.8282 1.0593 1.0713 1.1788 1.1825 6.3141 6.3177 7.4093 7.4316 7.5601 7.5649 7.5997 7.6276 8.1968 8.2438 8.5521 8.5942 9.1031 9.1292 9.2732 9.2812 9.4585 9.4880 12.6949 12.7058 13.8826 13.8935 13.9423 13.9534 14.7385 14.7422 k = 0.0000 0.5000 0.1509 ( 2760 PWs) bands (ev): -46.1772 -46.1772 -22.8869 -22.8866 -22.2501 -22.2498 -22.2105 -22.2101 -14.3495 -14.3494 -6.6909 -6.6891 -5.8409 -5.8382 -5.6875 -5.6861 -0.8396 -0.8316 1.0546 1.0668 1.1703 1.1736 6.3094 6.3131 7.3611 7.3839 7.5499 7.5605 7.5651 7.5814 8.1830 8.2282 8.5728 8.6135 9.0689 9.0939 9.3390 9.3466 9.4321 9.4613 12.7431 12.7544 13.8878 13.9000 13.9430 13.9556 14.7786 14.7824 k = 0.0000 0.5000 0.1634 ( 2758 PWs) bands (ev): -46.1772 -46.1772 -22.8873 -22.8870 -22.2502 -22.2500 -22.2115 -22.2111 -14.3470 -14.3469 -6.6744 -6.6724 -5.8379 -5.8350 -5.6950 -5.6935 -0.8436 -0.8352 1.0489 1.0612 1.1626 1.1652 6.3045 6.3082 7.3058 7.3274 7.5078 7.5335 7.5627 7.5669 8.1658 8.2084 8.5978 8.6364 9.0370 9.0613 9.4006 9.4054 9.4109 9.4352 12.7941 12.8056 13.8937 13.9077 13.9439 13.9582 14.8173 14.8212 k = 0.0000 0.5000 0.1760 ( 2758 PWs) bands (ev): -46.1772 -46.1772 -22.8878 -22.8875 -22.2504 -22.2501 -22.2125 -22.2121 -14.3444 -14.3443 -6.6569 -6.6548 -5.8348 -5.8317 -5.7028 -5.7013 -0.8478 -0.8390 1.0421 1.0541 1.1558 1.1574 6.2994 6.3031 7.2461 7.2658 7.4667 7.4909 7.5633 7.5669 8.1455 8.1853 8.6264 8.6626 9.0084 9.0323 9.3766 9.4027 9.4678 9.4732 12.8474 12.8590 13.9003 13.9166 13.9448 13.9615 14.8540 14.8580 k = 0.0000 0.5000 0.1886 ( 2756 PWs) bands (ev): -46.1771 -46.1771 -22.8883 -22.8879 -22.2506 -22.2503 -22.2135 -22.2131 -14.3416 -14.3415 -6.6386 -6.6364 -5.8316 -5.8284 -5.7110 -5.7095 -0.8521 -0.8430 1.0341 1.0456 1.1502 1.1507 6.2942 6.2978 7.1841 7.2019 7.4245 7.4467 7.5643 7.5676 8.1227 8.1596 8.6577 8.6916 8.9832 9.0069 9.3490 9.3751 9.5272 9.5332 12.9026 12.9143 13.9072 13.9267 13.9459 13.9658 14.8883 14.8925 k = 0.0000 0.5000 0.2012 ( 2758 PWs) bands (ev): -46.1771 -46.1771 -22.8888 -22.8884 -22.2508 -22.2505 -22.2146 -22.2141 -14.3388 -14.3387 -6.6195 -6.6171 -5.8285 -5.8251 -5.7194 -5.7179 -0.8566 -0.8472 1.0249 1.0357 1.1449 1.1460 6.2888 6.2923 7.1213 7.1374 7.3799 7.4001 7.5653 7.5685 8.0978 8.1319 8.6909 8.7229 8.9614 8.9853 9.3225 9.3480 9.5846 9.5907 12.9594 12.9711 13.9142 13.9370 13.9481 13.9714 14.9201 14.9244 k = 0.0000 0.5000 0.2137 ( 2758 PWs) bands (ev): -46.1770 -46.1770 -22.8893 -22.8889 -22.2511 -22.2508 -22.2156 -22.2151 -14.3359 -14.3358 -6.5997 -6.5972 -5.8254 -5.8220 -5.7280 -5.7265 -0.8611 -0.8516 1.0145 1.0246 1.1404 1.1429 6.2832 6.2867 7.0588 7.0733 7.3325 7.3508 7.5665 7.5697 8.0713 8.1027 8.7252 8.7558 8.9425 8.9670 9.2978 9.3225 9.6396 9.6457 13.0174 13.0290 13.9207 13.9437 13.9553 13.9787 14.9493 14.9536 k = 0.0000 0.5000 0.2263 ( 2760 PWs) bands (ev): -46.1770 -46.1770 -22.8898 -22.8894 -22.2514 -22.2510 -22.2167 -22.2162 -14.3329 -14.3328 -6.5793 -6.5767 -5.8225 -5.8190 -5.7366 -5.7352 -0.8657 -0.8561 1.0030 1.0126 1.1370 1.1408 6.2774 6.2807 6.9971 7.0103 7.2821 7.2988 7.5677 7.5709 8.0435 8.0725 8.7598 8.7900 8.9259 8.9519 9.2758 9.2994 9.6920 9.6981 13.0761 13.0877 13.9264 13.9459 13.9683 13.9882 14.9757 14.9802 k = 0.0000 0.5000 0.2389 ( 2762 PWs) bands (ev): -46.1770 -46.1770 -22.8903 -22.8900 -22.2517 -22.2513 -22.2177 -22.2172 -14.3299 -14.3298 -6.5584 -6.5557 -5.8198 -5.8162 -5.7452 -5.7440 -0.8703 -0.8607 0.9908 0.9997 1.1346 1.1395 6.2714 6.2745 6.9367 6.9487 7.2293 7.2446 7.5690 7.5722 8.0149 8.0417 8.7930 8.8249 8.9108 8.9401 9.2574 9.2797 9.7417 9.7478 13.1353 13.1468 13.9312 13.9470 13.9837 14.0000 14.9995 15.0041 k = 0.0000 0.5000 0.2514 ( 2756 PWs) bands (ev): -46.1769 -46.1769 -22.8908 -22.8905 -22.2520 -22.2516 -22.2187 -22.2182 -14.3268 -14.3267 -6.5372 -6.5344 -5.8173 -5.8137 -5.7537 -5.7527 -0.8749 -0.8653 0.9779 0.9864 1.1332 1.1391 6.2651 6.2680 6.8780 6.8889 7.1746 7.1885 7.5702 7.5736 7.9859 8.0105 8.8219 8.8599 8.8964 8.9333 9.2431 9.2639 9.7887 9.7947 13.1945 13.2059 13.9350 13.9480 14.0005 14.0139 15.0207 15.0254 k = 0.0000 0.5000 0.2640 ( 2756 PWs) bands (ev): -46.1769 -46.1769 -22.8914 -22.8910 -22.2523 -22.2520 -22.2196 -22.2191 -14.3238 -14.3237 -6.5156 -6.5128 -5.8153 -5.8117 -5.7620 -5.7612 -0.8796 -0.8700 0.9647 0.9728 1.1325 1.1392 6.2583 6.2611 6.8211 6.8310 7.1187 7.1313 7.5715 7.5749 7.9566 7.9792 8.8405 8.8798 8.8968 8.9365 9.2335 9.2526 9.8329 9.8389 13.2535 13.2647 13.9381 13.9488 14.0185 14.0296 15.0394 15.0442 k = 0.0000 0.5000 0.2766 ( 2748 PWs) bands (ev): -46.1768 -46.1768 -22.8919 -22.8915 -22.2527 -22.2523 -22.2205 -22.2200 -14.3207 -14.3206 -6.4940 -6.4910 -5.8139 -5.8102 -5.7700 -5.7690 -0.8841 -0.8747 0.9514 0.9592 1.1325 1.1397 6.2511 6.2537 6.7664 6.7753 7.0623 7.0737 7.5727 7.5763 7.9275 7.9483 8.8437 8.8649 8.9307 8.9540 9.2289 9.2463 9.8744 9.8803 13.3118 13.3229 13.9406 13.9496 14.0376 14.0470 15.0559 15.0607 k = 0.0000 0.5000 0.2892 ( 2748 PWs) bands (ev): -46.1768 -46.1768 -22.8924 -22.8920 -22.2531 -22.2527 -22.2214 -22.2209 -14.3177 -14.3176 -6.4723 -6.4693 -5.8136 -5.8096 -5.7777 -5.7755 -0.8886 -0.8794 0.9381 0.9455 1.1331 1.1407 6.2433 6.2457 6.7140 6.7220 7.0062 7.0164 7.5738 7.5776 7.8987 7.9178 8.8352 8.8479 8.9646 8.9815 9.2290 9.2449 9.9132 9.9189 13.3693 13.3801 13.9427 13.9503 14.0576 14.0656 15.0702 15.0751 k = 0.0000 0.5000 0.3017 ( 2744 PWs) bands (ev): -46.1767 -46.1767 -22.8929 -22.8925 -22.2535 -22.2531 -22.2222 -22.2217 -14.3148 -14.3147 -6.4507 -6.4476 -5.8150 -5.8101 -5.7843 -5.7806 -0.8929 -0.8840 0.9250 0.9321 1.1341 1.1419 6.2348 6.2370 6.6641 6.6712 6.9510 6.9602 7.5748 7.5789 7.8706 7.8880 8.8209 8.8294 8.9976 9.0128 9.2333 9.2482 9.9492 9.9548 13.4255 13.4361 13.9445 13.9511 14.0783 14.0852 15.0826 15.0875 k = 0.0000 0.5000 0.3143 ( 2738 PWs) bands (ev): -46.1767 -46.1767 -22.8934 -22.8930 -22.2539 -22.2536 -22.2229 -22.2225 -14.3119 -14.3118 -6.4293 -6.4262 -5.8182 -5.8123 -5.7892 -5.7840 -0.8972 -0.8885 0.9122 0.9191 1.1355 1.1434 6.2255 6.2275 6.6169 6.6230 6.8976 6.9058 7.5757 7.5799 7.8434 7.8592 8.8037 8.8099 9.0295 9.0447 9.2413 9.2558 9.9826 9.9881 13.4802 13.4904 13.9460 13.9518 14.0995 14.1055 15.0931 15.0981 k = 0.0000 0.5000 0.3269 ( 2748 PWs) bands (ev): -46.1767 -46.1767 -22.8939 -22.8936 -22.2544 -22.2541 -22.2236 -22.2232 -14.3091 -14.3090 -6.4083 -6.4052 -5.8230 -5.8165 -5.7921 -5.7858 -0.9012 -0.8929 0.8998 0.9064 1.1371 1.1450 6.2151 6.2170 6.5725 6.5778 6.8465 6.8536 7.5763 7.5808 7.8173 7.8316 8.7852 8.7898 9.0600 9.0759 9.2523 9.2669 10.0133 10.0186 13.5331 13.5430 13.9474 13.9525 14.1209 14.1263 15.1021 15.1071 k = 0.0000 0.5000 0.3395 ( 2748 PWs) bands (ev): -46.1766 -46.1766 -22.8944 -22.8940 -22.2549 -22.2545 -22.2243 -22.2239 -14.3064 -14.3063 -6.3878 -6.3846 -5.8288 -5.8222 -5.7933 -5.7868 -0.9051 -0.8972 0.8881 0.8943 1.1390 1.1468 6.2036 6.2054 6.5311 6.5356 6.7983 6.8045 7.5766 7.5814 7.7926 7.8054 8.7660 8.7695 9.0889 9.1057 9.2658 9.2807 10.0415 10.0466 13.5838 13.5933 13.9486 13.9531 14.1425 14.1473 15.1096 15.1145 k = 0.0000 0.5000 0.3520 ( 2756 PWs) bands (ev): -46.1766 -46.1766 -22.8948 -22.8945 -22.2554 -22.2550 -22.2249 -22.2245 -14.3038 -14.3038 -6.3679 -6.3648 -5.8350 -5.8286 -5.7939 -5.7874 -0.9087 -0.9012 0.8769 0.8828 1.1411 1.1486 6.1909 6.1927 6.4927 6.4966 6.7534 6.7587 7.5766 7.5817 7.7695 7.7808 8.7468 8.7494 9.1162 9.1336 9.2810 9.2963 10.0672 10.0721 13.6322 13.6413 13.9497 13.9538 14.1639 14.1681 15.1158 15.1206 k = 0.0000 0.5000 0.3646 ( 2750 PWs) bands (ev): -46.1766 -46.1766 -22.8952 -22.8950 -22.2558 -22.2555 -22.2254 -22.2250 -14.3014 -14.3013 -6.3487 -6.3457 -5.8412 -5.8351 -5.7941 -5.7878 -0.9121 -0.9051 0.8664 0.8720 1.1432 1.1504 6.1771 6.1789 6.4576 6.4609 6.7124 6.7169 7.5761 7.5815 7.7482 7.7582 8.7280 8.7300 9.1416 9.1593 9.2977 9.3131 10.0904 10.0951 13.6778 13.6865 13.9506 13.9544 14.1848 14.1886 15.1209 15.1255 k = 0.0000 0.5000 0.3772 ( 2752 PWs) bands (ev): -46.1765 -46.1765 -22.8956 -22.8954 -22.2563 -22.2560 -22.2259 -22.2255 -14.2991 -14.2991 -6.3305 -6.3276 -5.8473 -5.8415 -5.7943 -5.7883 -0.9153 -0.9088 0.8567 0.8619 1.1454 1.1522 6.1621 6.1640 6.4258 6.4287 6.6755 6.6791 7.5750 7.5807 7.7289 7.7376 8.7100 8.7115 9.1651 9.1826 9.3150 9.3302 10.1114 10.1157 13.7206 13.7287 13.9515 13.9550 14.2051 14.2085 15.1250 15.1294 k = 0.0000 0.5000 0.3897 ( 2752 PWs) bands (ev): -46.1765 -46.1765 -22.8960 -22.8958 -22.2567 -22.2564 -22.2263 -22.2260 -14.2970 -14.2970 -6.3134 -6.3106 -5.8530 -5.8475 -5.7945 -5.7888 -0.9181 -0.9122 0.8479 0.8526 1.1476 1.1539 6.1464 6.1483 6.3972 6.3998 6.6428 6.6457 7.5734 7.5793 7.7119 7.7194 8.6930 8.6941 9.1867 9.2036 9.3326 9.3472 10.1300 10.1341 13.7602 13.7678 13.9523 13.9555 14.2244 14.2274 15.1282 15.1324 k = 0.0000 0.5000 0.4023 ( 2752 PWs) bands (ev): -46.1765 -46.1765 -22.8963 -22.8961 -22.2571 -22.2569 -22.2266 -22.2264 -14.2951 -14.2951 -6.2975 -6.2949 -5.8583 -5.8531 -5.7948 -5.7895 -0.9207 -0.9153 0.8399 0.8442 1.1497 1.1554 6.1303 6.1321 6.3718 6.3743 6.6143 6.6167 7.5711 7.5771 7.6973 7.7036 8.6772 8.6781 9.2064 9.2221 9.3498 9.3635 10.1465 10.1502 13.7963 13.8033 13.9530 13.9561 14.2424 14.2451 15.1307 15.1346 k = 0.0000 0.5000 0.4149 ( 2748 PWs) bands (ev): -46.1765 -46.1765 -22.8966 -22.8964 -22.2575 -22.2572 -22.2269 -22.2267 -14.2934 -14.2933 -6.2830 -6.2805 -5.8630 -5.8582 -5.7952 -5.7904 -0.9230 -0.9182 0.8328 0.8366 1.1517 1.1569 6.1143 6.1161 6.3497 6.3520 6.5900 6.5919 7.5682 7.5741 7.6852 7.6905 8.6630 8.6637 9.2240 9.2383 9.3662 9.3786 10.1609 10.1643 13.8288 13.8352 13.9537 13.9567 14.2591 14.2614 15.1327 15.1362 k = 0.0000 0.5000 0.4275 ( 2736 PWs) bands (ev): -46.1764 -46.1764 -22.8968 -22.8967 -22.2577 -22.2575 -22.2271 -22.2270 -14.2919 -14.2918 -6.2700 -6.2678 -5.8672 -5.8628 -5.7957 -5.7913 -0.9249 -0.9208 0.8266 0.8299 1.1536 1.1581 6.0991 6.1006 6.3306 6.3328 6.5697 6.5712 7.5649 7.5705 7.6755 7.6799 8.6504 8.6510 9.2396 9.2522 9.3814 9.3922 10.1733 10.1762 13.8573 13.8632 13.9543 13.9573 14.2741 14.2761 15.1341 15.1373 k = 0.0000 0.5000 0.4400 ( 2728 PWs) bands (ev): -46.1764 -46.1764 -22.8970 -22.8969 -22.2580 -22.2578 -22.2273 -22.2272 -14.2905 -14.2905 -6.2586 -6.2567 -5.8706 -5.8669 -5.7961 -5.7923 -0.9265 -0.9230 0.8214 0.8242 1.1553 1.1592 6.0851 6.0864 6.3146 6.3165 6.5532 6.5543 7.5614 7.5665 7.6680 7.6716 8.6395 8.6400 9.2530 9.2638 9.3949 9.4041 10.1836 10.1861 13.8818 13.8870 13.9549 13.9580 14.2872 14.2888 15.1352 15.1379 k = 0.0000 0.5000 0.4526 ( 2732 PWs) bands (ev): -46.1764 -46.1764 -22.8972 -22.8971 -22.2582 -22.2581 -22.2275 -22.2274 -14.2895 -14.2894 -6.2491 -6.2475 -5.8735 -5.8703 -5.7965 -5.7933 -0.9277 -0.9249 0.8172 0.8194 1.1569 1.1600 6.0729 6.0740 6.3016 6.3031 6.5402 6.5410 7.5580 7.5623 7.6625 7.6653 8.6305 8.6309 9.2643 9.2730 9.4064 9.4139 10.1921 10.1941 13.9019 13.9064 13.9556 13.9588 14.2982 14.2995 15.1359 15.1382 k = 0.0000 0.5000 0.4652 ( 2736 PWs) bands (ev): -46.1764 -46.1764 -22.8974 -22.8973 -22.2584 -22.2583 -22.2277 -22.2276 -14.2886 -14.2886 -6.2415 -6.2402 -5.8756 -5.8731 -5.7967 -5.7943 -0.9286 -0.9265 0.8139 0.8156 1.1582 1.1605 6.0629 6.0638 6.2915 6.2927 6.5304 6.5309 7.5551 7.5584 7.6588 7.6608 8.6234 8.6237 9.2734 9.2800 9.4159 9.4215 10.1987 10.2002 13.9174 13.9213 13.9566 13.9596 14.3069 14.3079 15.1365 15.1383 k = 0.0000 0.5000 0.4777 ( 2740 PWs) bands (ev): -46.1764 -46.1764 -22.8975 -22.8974 -22.2586 -22.2585 -22.2278 -22.2277 -14.2880 -14.2880 -6.2359 -6.2350 -5.8769 -5.8753 -5.7968 -5.7952 -0.9292 -0.9278 0.8117 0.8128 1.1592 1.1608 6.0556 6.0562 6.2843 6.2851 6.5236 6.5239 7.5529 7.5552 7.6564 7.6577 8.6183 8.6185 9.2802 9.2846 9.4230 9.4268 10.2034 10.2045 13.9283 13.9313 13.9579 13.9605 14.3133 14.3140 15.1370 15.1382 k = 0.0000 0.5000 0.4903 ( 2740 PWs) bands (ev): -46.1764 -46.1764 -22.8975 -22.8975 -22.2586 -22.2586 -22.2278 -22.2278 -14.2876 -14.2876 -6.2324 -6.2320 -5.8776 -5.8767 -5.7967 -5.7959 -0.9294 -0.9287 0.8104 0.8110 1.1600 1.1608 6.0512 6.0515 6.2801 6.2805 6.5196 6.5197 7.5518 7.5529 7.6552 7.6559 8.6152 8.6153 9.2848 9.2870 9.4277 9.4296 10.2064 10.2069 13.9349 13.9366 13.9595 13.9611 14.3173 14.3176 15.1374 15.1380 k = 0.0000 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1764 -46.1764 -22.8976 -22.8976 -22.2587 -22.2587 -22.2278 -22.2278 -14.2875 -14.2875 -6.2311 -6.2311 -5.8775 -5.8775 -5.7964 -5.7964 -0.9292 -0.9292 0.8102 0.8102 1.1606 1.1606 6.0498 6.0498 6.2788 6.2788 6.5183 6.5183 7.5518 7.5518 7.6550 7.6550 8.6143 8.6143 9.2870 9.2870 9.4299 9.4299 10.2075 10.2075 13.9376 13.9376 13.9608 13.9608 14.3187 14.3187 15.1377 15.1377 k = 0.0000 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1764 -46.1764 -22.8976 -22.8976 -22.2587 -22.2587 -22.2278 -22.2278 -14.2875 -14.2875 -6.2311 -6.2311 -5.8775 -5.8775 -5.7964 -5.7964 -0.9292 -0.9292 0.8102 0.8102 1.1606 1.1606 6.0498 6.0498 6.2788 6.2788 6.5183 6.5183 7.5518 7.5518 7.6550 7.6550 8.6143 8.6143 9.2870 9.2870 9.4299 9.4299 10.2075 10.2075 13.9376 13.9376 13.9608 13.9608 14.3187 14.3187 15.1377 15.1377 k = 0.0128 0.5000 0.5029 ( 2738 PWs) bands (ev): -46.1764 -46.1764 -22.8976 -22.8975 -22.2586 -22.2586 -22.2279 -22.2278 -14.2874 -14.2874 -6.2304 -6.2302 -5.8773 -5.8772 -5.7963 -5.7960 -0.9315 -0.9290 0.8089 0.8091 1.1567 1.1602 6.0498 6.0498 6.2816 6.2821 6.5183 6.5183 7.5525 7.5525 7.6550 7.6567 8.6095 8.6099 9.2877 9.2888 9.4305 9.4307 10.2076 10.2077 13.9379 13.9387 13.9610 13.9615 14.3191 14.3191 15.1426 15.1436 k = 0.0256 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1764 -46.1764 -22.8977 -22.8975 -22.2586 -22.2586 -22.2280 -22.2280 -14.2871 -14.2871 -6.2281 -6.2278 -5.8765 -5.8763 -5.7956 -5.7952 -0.9360 -0.9310 0.8051 0.8055 1.1487 1.1555 6.0499 6.0500 6.2904 6.2914 6.5184 6.5184 7.5547 7.5547 7.6565 7.6599 8.5958 8.5965 9.2907 9.2929 9.4327 9.4330 10.2079 10.2080 13.9397 13.9413 13.9622 13.9630 14.3202 14.3203 15.1582 15.1602 k = 0.0384 0.5000 0.5029 ( 2734 PWs) bands (ev): -46.1764 -46.1764 -22.8978 -22.8976 -22.2586 -22.2586 -22.2283 -22.2282 -14.2866 -14.2866 -6.2242 -6.2238 -5.8753 -5.8750 -5.7945 -5.7938 -0.9426 -0.9351 0.7988 0.7994 1.1365 1.1467 6.0501 6.0502 6.3052 6.3066 6.5185 6.5185 7.5583 7.5583 7.6597 7.6646 8.5734 8.5743 9.2961 9.2993 9.4363 9.4368 10.2085 10.2086 13.9428 13.9453 13.9644 13.9655 14.3220 14.3222 15.1842 15.1871 k = 0.0512 0.5000 0.5029 ( 2740 PWs) bands (ev): -46.1764 -46.1764 -22.8980 -22.8977 -22.2586 -22.2585 -22.2288 -22.2286 -14.2859 -14.2859 -6.2188 -6.2182 -5.8735 -5.8731 -5.7928 -5.7919 -0.9513 -0.9414 0.7902 0.7909 1.1204 1.1339 6.0503 6.0504 6.3257 6.3276 6.5186 6.5186 7.5629 7.5632 7.6645 7.6708 8.5427 8.5438 9.3038 9.3079 9.4414 9.4420 10.2092 10.2094 13.9471 13.9507 13.9681 13.9691 14.3246 14.3248 15.2202 15.2239 k = 0.0639 0.5000 0.5029 ( 2742 PWs) bands (ev): -46.1763 -46.1763 -22.8982 -22.8979 -22.2587 -22.2585 -22.2293 -22.2290 -14.2850 -14.2850 -6.2118 -6.2112 -5.8711 -5.8706 -5.7907 -5.7896 -0.9620 -0.9497 0.7792 0.7802 1.1005 1.1171 6.0507 6.0508 6.3517 6.3540 6.5187 6.5188 7.5684 7.5690 7.6710 7.6785 8.5043 8.5056 9.3137 9.3188 9.4480 9.4487 10.2102 10.2104 13.9526 13.9574 13.9733 13.9739 14.3279 14.3281 15.2654 15.2698 k = 0.0767 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1763 -46.1763 -22.8984 -22.8981 -22.2587 -22.2585 -22.2298 -22.2296 -14.2839 -14.2839 -6.2034 -6.2026 -5.8683 -5.8677 -5.7881 -5.7867 -0.9746 -0.9601 0.7660 0.7672 1.0771 1.0967 6.0510 6.0511 6.3830 6.3857 6.5188 6.5190 7.5745 7.5755 7.6792 7.6876 8.4590 8.4604 9.3259 9.3317 9.4562 9.4569 10.2113 10.2116 13.9591 13.9652 13.9803 13.9804 14.3320 14.3322 15.3193 15.3241 k = 0.0895 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1763 -46.1763 -22.8987 -22.8983 -22.2587 -22.2585 -22.2305 -22.2302 -14.2827 -14.2827 -6.1936 -6.1926 -5.8650 -5.8643 -5.7850 -5.7835 -0.9891 -0.9723 0.7507 0.7521 1.0504 1.0729 6.0514 6.0515 6.4191 6.4222 6.5190 6.5194 7.5808 7.5823 7.6890 7.6980 8.4076 8.4091 9.3403 9.3468 9.4660 9.4665 10.2127 10.2130 13.9667 13.9740 13.9886 13.9892 14.3366 14.3369 15.3808 15.3860 k = 0.1023 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1763 -46.1763 -22.8990 -22.8985 -22.2587 -22.2584 -22.2313 -22.2309 -14.2813 -14.2813 -6.1823 -6.1813 -5.8613 -5.8605 -5.7815 -5.7797 -1.0053 -0.9865 0.7334 0.7350 1.0207 1.0459 6.0517 6.0519 6.4594 6.4632 6.5193 6.5201 7.5869 7.5891 7.7002 7.7097 8.3510 8.3525 9.3568 9.3638 9.4774 9.4778 10.2142 10.2146 13.9755 13.9836 13.9989 13.9998 14.3420 14.3423 15.4491 15.4546 k = 0.1151 0.5000 0.5029 ( 2744 PWs) bands (ev): -46.1763 -46.1763 -22.8993 -22.8988 -22.2587 -22.2584 -22.2321 -22.2317 -14.2797 -14.2797 -6.1698 -6.1686 -5.8570 -5.8562 -5.7775 -5.7756 -1.0231 -1.0023 0.7142 0.7160 0.9884 1.0161 6.0521 6.0523 6.5015 6.5081 6.5197 6.5232 7.5925 7.5953 7.7126 7.7223 8.2903 8.2918 9.3754 9.3828 9.4906 9.4908 10.2159 10.2164 13.9856 13.9942 14.0110 14.0120 14.3480 14.3482 15.5233 15.5289 k = 0.1279 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1762 -46.1762 -22.8997 -22.8991 -22.2587 -22.2584 -22.2330 -22.2326 -14.2779 -14.2779 -6.1560 -6.1546 -5.8524 -5.8514 -5.7732 -5.7710 -1.0424 -1.0198 0.6933 0.6954 0.9537 0.9837 6.0523 6.0526 6.5174 6.5197 6.5562 6.5571 7.5969 7.6002 7.7259 7.7358 8.2269 8.2282 9.3962 9.4036 9.5054 9.5056 10.2178 10.2183 13.9970 14.0058 14.0249 14.0259 14.3546 14.3548 15.6024 15.6081 k = 0.1407 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1762 -46.1762 -22.9001 -22.8995 -22.2587 -22.2583 -22.2339 -22.2335 -14.2760 -14.2760 -6.1410 -6.1395 -5.8474 -5.8463 -5.7684 -5.7661 -1.0631 -1.0387 0.6709 0.6732 0.9171 0.9492 6.0525 6.0528 6.5188 6.5200 6.6070 6.6089 7.5995 7.6032 7.7394 7.7495 8.1623 8.1635 9.4189 9.4263 9.5220 9.5225 10.2199 10.2204 14.0098 14.0186 14.0402 14.0411 14.3617 14.3619 15.6855 15.6911 k = 0.1535 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1762 -46.1762 -22.9005 -22.8999 -22.2587 -22.2583 -22.2349 -22.2345 -14.2740 -14.2740 -6.1250 -6.1233 -5.8420 -5.8408 -5.7633 -5.7608 -1.0849 -1.0591 0.6471 0.6496 0.8788 0.9127 6.0526 6.0529 6.5195 6.5204 6.6613 6.6635 7.5992 7.6029 7.7525 7.7630 8.0988 8.0999 9.4435 9.4507 9.5404 9.5414 10.2221 10.2226 14.0239 14.0327 14.0569 14.0577 14.3693 14.3695 15.7716 15.7771 k = 0.1663 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1762 -46.1762 -22.9009 -22.9003 -22.2587 -22.2583 -22.2360 -22.2356 -14.2719 -14.2719 -6.1079 -6.1061 -5.8363 -5.8350 -5.7579 -5.7552 -1.1078 -1.0806 0.6221 0.6249 0.8391 0.8747 6.0525 6.0528 6.5200 6.5207 6.7179 6.7203 7.5944 7.5975 7.7641 7.7752 8.0395 8.0404 9.4700 9.4768 9.5609 9.5625 10.2244 10.2250 14.0394 14.0480 14.0748 14.0754 14.3775 14.3776 15.8597 15.8651 k = 0.1791 0.5000 0.5029 ( 2750 PWs) bands (ev): -46.1761 -46.1761 -22.9014 -22.9007 -22.2587 -22.2583 -22.2371 -22.2367 -14.2696 -14.2696 -6.0899 -6.0880 -5.8303 -5.8289 -5.7521 -5.7492 -1.1316 -1.1032 0.5960 0.5991 0.7985 0.8355 6.0521 6.0524 6.5204 6.5211 6.7764 6.7788 7.5824 7.5845 7.7725 7.7847 7.9889 7.9897 9.4982 9.5043 9.5836 9.5857 10.2268 10.2275 14.0562 14.0646 14.0938 14.0941 14.3860 14.3862 15.9490 15.9542 k = 0.1918 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1761 -46.1761 -22.9019 -22.9011 -22.2587 -22.2582 -22.2382 -22.2378 -14.2673 -14.2673 -6.0712 -6.0691 -5.8240 -5.8225 -5.7461 -5.7431 -1.1562 -1.1268 0.5692 0.5725 0.7571 0.7953 6.0514 6.0518 6.5209 6.5215 6.8360 6.8384 7.5601 7.5608 7.7764 7.7900 7.9520 7.9529 9.5279 9.5333 9.6083 9.6111 10.2294 10.2300 14.0741 14.0822 14.1137 14.1138 14.3950 14.3950 16.0383 16.0434 k = 0.2046 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1761 -46.1761 -22.9024 -22.9016 -22.2588 -22.2583 -22.2393 -22.2390 -14.2649 -14.2649 -6.0518 -6.0495 -5.8175 -5.8159 -5.7398 -5.7367 -1.1813 -1.1510 0.5416 0.5452 0.7154 0.7546 6.0504 6.0508 6.5213 6.5219 6.8962 6.8987 7.5241 7.5249 7.7758 7.7906 7.9321 7.9330 9.5590 9.5635 9.6353 9.6387 10.2320 10.2327 14.0931 14.1009 14.1343 14.1344 14.4043 14.4043 16.1268 16.1317 k = 0.2174 0.5000 0.5029 ( 2746 PWs) bands (ev): -46.1760 -46.1760 -22.9028 -22.9020 -22.2589 -22.2583 -22.2404 -22.2401 -14.2624 -14.2624 -6.0318 -6.0294 -5.8108 -5.8091 -5.7334 -5.7301 -1.2068 -1.1759 0.5136 0.5175 0.6735 0.7135 6.0490 6.0494 6.5217 6.5223 6.9565 6.9591 7.4749 7.4768 7.7736 7.7888 7.9268 7.9276 9.5913 9.5949 9.6644 9.6684 10.2347 10.2354 14.1130 14.1205 14.1555 14.1558 14.4138 14.4138 16.2135 16.2182 k = 0.2302 0.5000 0.5029 ( 2740 PWs) bands (ev): -46.1760 -46.1760 -22.9033 -22.9025 -22.2590 -22.2583 -22.2415 -22.2412 -14.2599 -14.2599 -6.0113 -6.0088 -5.8040 -5.8021 -5.7267 -5.7233 -1.2326 -1.2013 0.4854 0.4896 0.6318 0.6723 6.0471 6.0475 6.5222 6.5227 7.0161 7.0189 7.4163 7.4188 7.7728 7.7876 7.9307 7.9312 9.6246 9.6273 9.6956 9.7000 10.2374 10.2382 14.1337 14.1409 14.1773 14.1778 14.4235 14.4236 16.2973 16.3019 k = 0.2430 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1759 -46.1759 -22.9039 -22.9031 -22.2591 -22.2584 -22.2426 -22.2424 -14.2574 -14.2574 -5.9906 -5.9879 -5.7971 -5.7951 -5.7200 -5.7165 -1.2584 -1.2268 0.4570 0.4615 0.5906 0.6314 6.0445 6.0450 6.5226 6.5232 7.0742 7.0772 7.3522 7.3550 7.7746 7.7886 7.9392 7.9395 9.6588 9.6607 9.7287 9.7333 10.2402 10.2410 14.1551 14.1619 14.1995 14.2001 14.4334 14.4336 16.3771 16.3818 k = 0.2558 0.5000 0.5029 ( 2750 PWs) bands (ev): -46.1759 -46.1759 -22.9044 -22.9036 -22.2593 -22.2585 -22.2437 -22.2435 -14.2548 -14.2548 -5.9697 -5.9667 -5.7902 -5.7880 -5.7131 -5.7096 -1.2841 -1.2525 0.4287 0.4335 0.5500 0.5909 6.0413 6.0418 6.5231 6.5236 7.1287 7.1320 7.2871 7.2900 7.7790 7.7918 7.9499 7.9500 9.6937 9.6950 9.7635 9.7682 10.2430 10.2439 14.1769 14.1833 14.2220 14.2228 14.4434 14.4438 16.4521 16.4569 k = 0.2686 0.5000 0.5029 ( 2750 PWs) bands (ev): -46.1759 -46.1759 -22.9049 -22.9041 -22.2595 -22.2586 -22.2447 -22.2446 -14.2523 -14.2523 -5.9487 -5.9456 -5.7832 -5.7808 -5.7062 -5.7027 -1.3096 -1.2782 0.4007 0.4058 0.5103 0.5511 6.0374 6.0378 6.5235 6.5240 7.1671 7.1692 7.2368 7.2380 7.7857 7.7971 7.9612 7.9613 9.7292 9.7299 9.7996 9.8042 10.2458 10.2467 14.1991 14.2052 14.2446 14.2455 14.4536 14.4540 16.5211 16.5263 k = 0.2814 0.5000 0.5029 ( 2756 PWs) bands (ev): -46.1758 -46.1758 -22.9054 -22.9046 -22.2598 -22.2589 -22.2457 -22.2457 -14.2498 -14.2498 -5.9278 -5.9245 -5.7763 -5.7737 -5.6993 -5.6957 -1.3346 -1.3036 0.3731 0.3786 0.4717 0.5121 6.0325 6.0330 6.5239 6.5244 7.1324 7.1342 7.2553 7.2585 7.7945 7.8044 7.9725 7.9727 9.7651 9.7655 9.8367 9.8410 10.2486 10.2495 14.2214 14.2272 14.2672 14.2683 14.4638 14.4643 16.5833 16.5890 k = 0.2942 0.5000 0.5029 ( 2756 PWs) bands (ev): -46.1758 -46.1758 -22.9059 -22.9051 -22.2600 -22.2591 -22.2466 -22.2466 -14.2473 -14.2473 -5.9072 -5.9036 -5.7695 -5.7666 -5.6924 -5.6889 -1.3590 -1.3286 0.3461 0.3519 0.4344 0.4743 6.0267 6.0272 6.5243 6.5247 7.0702 7.0726 7.3000 7.3046 7.8054 7.8135 7.9834 7.9837 9.8013 9.8014 9.8744 9.8784 10.2513 10.2523 14.2438 14.2493 14.2897 14.2909 14.4740 14.4746 16.6381 16.6446 k = 0.3070 0.5000 0.5029 ( 2752 PWs) bands (ev): -46.1758 -46.1758 -22.9064 -22.9056 -22.2603 -22.2594 -22.2475 -22.2474 -14.2448 -14.2448 -5.8869 -5.8831 -5.7628 -5.7597 -5.6857 -5.6822 -1.3828 -1.3531 0.3198 0.3260 0.3986 0.4378 6.0199 6.0204 6.5246 6.5251 7.0077 7.0101 7.3445 7.3500 7.8182 7.8244 7.9938 7.9940 9.8374 9.8374 9.9125 9.9159 10.2540 10.2550 14.2661 14.2712 14.3119 14.3131 14.4842 14.4848 16.6850 16.6925 k = 0.3197 0.5000 0.5029 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9069 -22.9061 -22.2607 -22.2597 -22.2483 -22.2481 -14.2425 -14.2425 -5.8672 -5.8631 -5.7563 -5.7529 -5.6790 -5.6756 -1.4056 -1.3769 0.2945 0.3011 0.3644 0.4027 6.0120 6.0125 6.5249 6.5253 6.9479 6.9503 7.3855 7.3920 7.8331 7.8373 8.0033 8.0036 9.8733 9.8734 9.9503 9.9532 10.2566 10.2577 14.2881 14.2929 14.3335 14.3347 14.4944 14.4950 16.7239 16.7325 k = 0.3325 0.5000 0.5029 ( 2752 PWs) bands (ev): -46.1757 -46.1757 -22.9073 -22.9066 -22.2611 -22.2601 -22.2489 -22.2487 -14.2402 -14.2402 -5.8481 -5.8438 -5.7500 -5.7462 -5.6725 -5.6692 -1.4274 -1.3999 0.2703 0.2772 0.3320 0.3692 6.0030 6.0034 6.5251 6.5255 6.8918 6.8941 7.4225 7.4298 7.8499 7.8522 8.0121 8.0125 9.9087 9.9089 9.9877 9.9900 10.2591 10.2603 14.3096 14.3141 14.3544 14.3557 14.5045 14.5051 16.7550 16.7650 k = 0.3453 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1757 -46.1757 -22.9077 -22.9070 -22.2616 -22.2605 -22.2495 -22.2493 -14.2380 -14.2380 -5.8299 -5.8252 -5.7439 -5.7398 -5.6663 -5.6631 -1.4481 -1.4219 0.2472 0.2544 0.3016 0.3375 5.9930 5.9933 6.5252 6.5257 6.8400 6.8422 7.4548 7.4629 7.8684 7.8690 8.0200 8.0205 9.9434 9.9436 10.0242 10.0259 10.2616 10.2628 14.3305 14.3346 14.3745 14.3757 14.5145 14.5152 16.7788 16.7903 k = 0.3581 0.5000 0.5029 ( 2748 PWs) bands (ev): -46.1756 -46.1756 -22.9081 -22.9075 -22.2620 -22.2610 -22.2500 -22.2497 -14.2360 -14.2359 -5.8126 -5.8075 -5.7382 -5.7337 -5.6603 -5.6573 -1.4675 -1.4428 0.2255 0.2330 0.2733 0.3077 5.9819 5.9822 6.5252 6.5257 6.7929 6.7950 7.4827 7.4913 7.8874 7.8884 8.0272 8.0277 9.9770 9.9772 10.0593 10.0605 10.2639 10.2653 14.3506 14.3544 14.3934 14.3946 14.5244 14.5250 16.7961 16.8091 k = 0.3709 0.5000 0.5029 ( 2752 PWs) bands (ev): -46.1756 -46.1756 -22.9085 -22.9079 -22.2625 -22.2616 -22.2504 -22.2502 -14.2340 -14.2340 -5.7964 -5.7909 -5.7328 -5.7278 -5.6547 -5.6518 -1.4855 -1.4625 0.2052 0.2130 0.2472 0.2799 5.9700 5.9703 6.5251 6.5255 6.7507 6.7527 7.5062 7.5151 7.9071 7.9092 8.0336 8.0341 10.0092 10.0094 10.0929 10.0935 10.2661 10.2676 14.3698 14.3732 14.4111 14.4122 14.5341 14.5348 16.8077 16.8223 k = 0.3837 0.5000 0.5029 ( 2762 PWs) bands (ev): -46.1756 -46.1756 -22.9089 -22.9083 -22.2630 -22.2621 -22.2508 -22.2506 -14.2322 -14.2322 -5.7815 -5.7755 -5.7278 -5.7223 -5.6494 -5.6468 -1.5020 -1.4808 0.1865 0.1945 0.2234 0.2543 5.9575 5.9578 6.5248 6.5252 6.7136 6.7154 7.5257 7.5346 7.9273 7.9304 8.0394 8.0399 10.0396 10.0397 10.1244 10.1245 10.2682 10.2698 14.3878 14.3909 14.4273 14.4283 14.5437 14.5443 16.8146 16.8306 k = 0.3965 0.5000 0.5029 ( 2766 PWs) bands (ev): -46.1756 -46.1756 -22.9092 -22.9087 -22.2635 -22.2626 -22.2511 -22.2508 -14.2306 -14.2306 -5.7679 -5.7614 -5.7231 -5.7170 -5.6445 -5.6421 -1.5169 -1.4977 0.1695 0.1775 0.2022 0.2308 5.9448 5.9450 6.5244 6.5247 6.6814 6.6831 7.5418 7.5503 7.9474 7.9510 8.0446 8.0452 10.0679 10.0680 10.1531 10.1536 10.2703 10.2720 14.4045 14.4073 14.4420 14.4429 14.5529 14.5535 16.8177 16.8347 k = 0.4093 0.5000 0.5029 ( 2774 PWs) bands (ev): -46.1756 -46.1756 -22.9095 -22.9091 -22.2639 -22.2632 -22.2513 -22.2511 -14.2291 -14.2291 -5.7558 -5.7488 -5.7188 -5.7122 -5.6400 -5.6379 -1.5301 -1.5130 0.1542 0.1620 0.1836 0.2097 5.9321 5.9323 6.5236 6.5240 6.6542 6.6556 7.5549 7.5628 7.9667 7.9705 8.0494 8.0499 10.0938 10.0939 10.1791 10.1801 10.2722 10.2741 14.4198 14.4223 14.4549 14.4557 14.5618 14.5623 16.8179 16.8354 k = 0.4221 0.5000 0.5029 ( 2784 PWs) bands (ev): -46.1755 -46.1755 -22.9098 -22.9094 -22.2643 -22.2637 -22.2516 -22.2514 -14.2278 -14.2278 -5.7453 -5.7379 -5.7148 -5.7077 -5.6360 -5.6342 -1.5416 -1.5267 0.1409 0.1482 0.1678 0.1910 5.9200 5.9201 6.5226 6.5230 6.6317 6.6329 7.5654 7.5726 7.9843 7.9881 8.0538 8.0543 10.1169 10.1170 10.2021 10.2035 10.2741 10.2762 14.4335 14.4356 14.4661 14.4667 14.5702 14.5705 16.8158 16.8332 k = 0.4348 0.5000 0.5029 ( 2804 PWs) bands (ev): -46.1755 -46.1755 -22.9101 -22.9098 -22.2648 -22.2642 -22.2518 -22.2516 -14.2267 -14.2267 -5.7364 -5.7289 -5.7109 -5.7037 -5.6326 -5.6310 -1.5512 -1.5386 0.1295 0.1360 0.1548 0.1747 5.9087 5.9089 6.5213 6.5216 6.6137 6.6147 7.5738 7.5800 7.9998 8.0032 8.0581 8.0585 10.1370 10.1371 10.2217 10.2235 10.2761 10.2784 14.4454 14.4472 14.4755 14.4760 14.5778 14.5780 16.8123 16.8287 k = 0.4476 0.5000 0.5029 ( 2806 PWs) bands (ev): -46.1755 -46.1755 -22.9103 -22.9100 -22.2650 -22.2646 -22.2519 -22.2517 -14.2257 -14.2257 -5.7291 -5.7221 -5.7070 -5.7002 -5.6297 -5.6284 -1.5590 -1.5488 0.1201 0.1256 0.1446 0.1609 5.8989 5.8990 6.5198 6.5200 6.5998 6.6007 7.5805 7.5855 8.0124 8.0153 8.0623 8.0626 10.1539 10.1540 10.2376 10.2397 10.2783 10.2808 14.4554 14.4568 14.4832 14.4835 14.5844 14.5846 16.8081 16.8227 k = 0.4604 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9104 -22.9102 -22.2652 -22.2649 -22.2519 -22.2518 -14.2250 -14.2250 -5.7234 -5.7176 -5.7030 -5.6974 -5.6273 -5.6264 -1.5648 -1.5571 0.1129 0.1170 0.1372 0.1496 5.8907 5.8908 6.5182 6.5184 6.5898 6.5904 7.5855 7.5894 8.0221 8.0243 8.0664 8.0665 10.1674 10.1674 10.2494 10.2515 10.2811 10.2835 14.4634 14.4644 14.4891 14.4894 14.5899 14.5900 16.8042 16.8160 k = 0.4732 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9103 -22.2653 -22.2651 -22.2519 -22.2519 -14.2245 -14.2245 -5.7191 -5.7151 -5.6993 -5.6954 -5.6255 -5.6249 -1.5686 -1.5635 0.1078 0.1106 0.1326 0.1408 5.8846 5.8846 6.5168 6.5169 6.5830 6.5834 7.5892 7.5918 8.0287 8.0301 8.0700 8.0700 10.1772 10.1772 10.2573 10.2590 10.2844 10.2863 14.4692 14.4700 14.4934 14.4935 14.5940 14.5941 16.8013 16.8095 k = 0.4860 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9104 -22.2654 -22.2653 -22.2520 -22.2519 -14.2241 -14.2241 -5.7161 -5.7141 -5.6965 -5.6945 -5.6244 -5.6241 -1.5705 -1.5679 0.1049 0.1063 0.1305 0.1347 5.8807 5.8807 6.5157 6.5158 6.5792 6.5794 7.5917 7.5930 8.0326 8.0333 8.0725 8.0725 10.1833 10.1833 10.2617 10.2626 10.2874 10.2884 14.4730 14.4733 14.4960 14.4960 14.5966 14.5966 16.8000 16.8042 k = 0.4988 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8793 5.8793 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2889 10.2889 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k = 0.4988 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8793 5.8793 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2889 10.2889 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k = 0.4899 0.4911 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2653 -22.2653 -22.2519 -22.2519 -14.2241 -14.2241 -5.7152 -5.7152 -5.6955 -5.6955 -5.6243 -5.6243 -1.5692 -1.5692 0.1057 0.1057 0.1326 0.1326 5.8808 5.8808 6.5158 6.5158 6.5793 6.5793 7.5924 7.5924 8.0334 8.0334 8.0718 8.0718 10.1832 10.1832 10.2617 10.2617 10.2882 10.2882 14.4731 14.4731 14.4960 14.4960 14.5966 14.5966 16.8026 16.8026 k = 0.4810 0.4821 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9104 -22.9104 -22.2652 -22.2652 -22.2519 -22.2519 -14.2245 -14.2245 -5.7174 -5.7174 -5.6971 -5.6971 -5.6253 -5.6253 -1.5660 -1.5660 0.1094 0.1094 0.1367 0.1367 5.8849 5.8849 6.5170 6.5170 6.5830 6.5830 7.5908 7.5908 8.0313 8.0313 8.0674 8.0674 10.1769 10.1769 10.2570 10.2570 10.2864 10.2864 14.4695 14.4695 14.4935 14.4935 14.5940 14.5940 16.8074 16.8074 k = 0.4721 0.4732 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9103 -22.9103 -22.2650 -22.2650 -22.2519 -22.2519 -14.2250 -14.2250 -5.7214 -5.7214 -5.6993 -5.6993 -5.6268 -5.6268 -1.5609 -1.5609 0.1151 0.1151 0.1434 0.1434 5.8914 5.8914 6.5191 6.5191 6.5889 6.5889 7.5881 7.5881 8.0275 8.0275 8.0609 8.0609 10.1669 10.1669 10.2493 10.2493 10.2835 10.2835 14.4637 14.4637 14.4895 14.4895 14.5899 14.5899 16.8149 16.8149 k = 0.4632 0.4643 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9101 -22.9101 -22.2648 -22.2648 -22.2518 -22.2518 -14.2257 -14.2257 -5.7273 -5.7273 -5.7018 -5.7018 -5.6290 -5.6290 -1.5539 -1.5539 0.1225 0.1225 0.1529 0.1529 5.9003 5.9003 6.5220 6.5220 6.5971 6.5971 7.5843 7.5843 8.0209 8.0209 8.0535 8.0535 10.1532 10.1532 10.2389 10.2389 10.2795 10.2795 14.4558 14.4558 14.4841 14.4841 14.5842 14.5842 16.8249 16.8249 k = 0.4543 0.4554 0.5029 ( 2788 PWs) bands (ev): -46.1755 -46.1755 -22.9099 -22.9099 -22.2644 -22.2644 -22.2516 -22.2516 -14.2266 -14.2266 -5.7355 -5.7355 -5.7043 -5.7043 -5.6316 -5.6316 -1.5451 -1.5451 0.1315 0.1315 0.1655 0.1655 5.9113 5.9113 6.5258 6.5258 6.6075 6.6075 7.5793 7.5793 8.0104 8.0104 8.0466 8.0466 10.1358 10.1358 10.2260 10.2260 10.2745 10.2745 14.4457 14.4457 14.4772 14.4772 14.5771 14.5771 16.8370 16.8370 k = 0.4454 0.4464 0.5029 ( 2776 PWs) bands (ev): -46.1755 -46.1755 -22.9096 -22.9096 -22.2639 -22.2639 -22.2515 -22.2515 -14.2278 -14.2278 -5.7460 -5.7460 -5.7068 -5.7068 -5.6347 -5.6347 -1.5346 -1.5346 0.1419 0.1419 0.1812 0.1812 5.9245 5.9245 6.5308 6.5308 6.6201 6.6201 7.5729 7.5729 7.9958 7.9958 8.0408 8.0408 10.1151 10.1151 10.2106 10.2106 10.2684 10.2684 14.4335 14.4335 14.4690 14.4690 14.5684 14.5684 16.8509 16.8509 k = 0.4364 0.4375 0.5029 ( 2772 PWs) bands (ev): -46.1755 -46.1755 -22.9093 -22.9093 -22.2634 -22.2634 -22.2513 -22.2513 -14.2291 -14.2291 -5.7585 -5.7585 -5.7093 -5.7093 -5.6383 -5.6383 -1.5224 -1.5224 0.1535 0.1535 0.2000 0.2000 5.9394 5.9394 6.5369 6.5369 6.6348 6.6348 7.5650 7.5650 7.9777 7.9777 8.0360 8.0360 10.0910 10.0910 10.1932 10.1932 10.2613 10.2613 14.4191 14.4191 14.4595 14.4595 14.5583 14.5583 16.8659 16.8659 k = 0.4275 0.4286 0.5029 ( 2776 PWs) bands (ev): -46.1756 -46.1756 -22.9090 -22.9090 -22.2629 -22.2629 -22.2512 -22.2512 -14.2306 -14.2306 -5.7730 -5.7730 -5.7119 -5.7119 -5.6421 -5.6421 -1.5086 -1.5086 0.1664 0.1664 0.2216 0.2216 5.9560 5.9560 6.5444 6.5444 6.6517 6.6517 7.5553 7.5553 7.9571 7.9571 8.0316 8.0316 10.0638 10.0638 10.1739 10.1739 10.2531 10.2531 14.4028 14.4028 14.4487 14.4487 14.5469 14.5469 16.8814 16.8814 k = 0.4186 0.4196 0.5029 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9087 -22.9087 -22.2623 -22.2623 -22.2511 -22.2511 -14.2323 -14.2323 -5.7894 -5.7894 -5.7147 -5.7147 -5.6463 -5.6463 -1.4933 -1.4933 0.1807 0.1807 0.2459 0.2459 5.9739 5.9739 6.5535 6.5535 6.6706 6.6706 7.5435 7.5435 7.9351 7.9351 8.0275 8.0275 10.0337 10.0337 10.1529 10.1530 10.2437 10.2437 14.3843 14.3843 14.4368 14.4368 14.5341 14.5341 16.8965 16.8965 k = 0.4097 0.4107 0.5029 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9083 -22.9083 -22.2616 -22.2616 -22.2509 -22.2509 -14.2341 -14.2341 -5.8075 -5.8075 -5.7176 -5.7176 -5.6507 -5.6507 -1.4767 -1.4767 0.1962 0.1962 0.2728 0.2728 5.9928 5.9928 6.5644 6.5644 6.6915 6.6915 7.5293 7.5293 7.9123 7.9123 8.0234 8.0234 10.0010 10.0010 10.1307 10.1307 10.2332 10.2332 14.3640 14.3640 14.4238 14.4238 14.5200 14.5200 16.9103 16.9103 k = 0.4008 0.4018 0.5029 ( 2756 PWs) bands (ev): -46.1756 -46.1756 -22.9078 -22.9078 -22.2608 -22.2608 -22.2506 -22.2506 -14.2362 -14.2362 -5.8273 -5.8273 -5.7207 -5.7207 -5.6552 -5.6552 -1.4588 -1.4588 0.2130 0.2130 0.3021 0.3021 6.0124 6.0124 6.5773 6.5773 6.7144 6.7144 7.5124 7.5124 7.8896 7.8896 8.0195 8.0195 9.9657 9.9657 10.1074 10.1074 10.2215 10.2215 14.3417 14.3417 14.4097 14.4097 14.5048 14.5048 16.9216 16.9216 k = 0.3919 0.3929 0.5029 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9073 -22.9073 -22.2600 -22.2600 -22.2504 -22.2504 -14.2384 -14.2384 -5.8485 -5.8485 -5.7240 -5.7240 -5.6598 -5.6598 -1.4398 -1.4398 0.2312 0.2312 0.3334 0.3334 6.0322 6.0322 6.5926 6.5926 6.7391 6.7391 7.4926 7.4926 7.8678 7.8678 8.0157 8.0157 9.9283 9.9283 10.0832 10.0832 10.2086 10.2086 14.3175 14.3175 14.3947 14.3947 14.4884 14.4884 16.9293 16.9293 k = 0.3830 0.3839 0.5029 ( 2756 PWs) bands (ev): -46.1757 -46.1757 -22.9068 -22.9068 -22.2592 -22.2592 -22.2502 -22.2502 -14.2408 -14.2408 -5.8712 -5.8712 -5.7275 -5.7275 -5.6645 -5.6645 -1.4197 -1.4197 0.2505 0.2505 0.3667 0.3667 6.0518 6.0518 6.6104 6.6104 6.7657 6.7657 7.4695 7.4695 7.8476 7.8476 8.0121 8.0121 9.8889 9.8889 10.0584 10.0584 10.1944 10.1944 14.2915 14.2915 14.3788 14.3788 14.4711 14.4711 16.9322 16.9322 k = 0.3741 0.3750 0.5029 ( 2756 PWs) bands (ev): -46.1757 -46.1757 -22.9063 -22.9063 -22.2583 -22.2583 -22.2500 -22.2500 -14.2433 -14.2433 -5.8952 -5.8952 -5.7312 -5.7312 -5.6690 -5.6690 -1.3987 -1.3987 0.2711 0.2711 0.4017 0.4017 6.0710 6.0710 6.6311 6.6311 6.7939 6.7939 7.4433 7.4433 7.8294 7.8294 8.0088 8.0088 9.8478 9.8478 10.0331 10.0331 10.1789 10.1789 14.2638 14.2638 14.3621 14.3621 14.4528 14.4528 16.9290 16.9290 k = 0.3652 0.3661 0.5029 ( 2762 PWs) bands (ev): -46.1758 -46.1758 -22.9058 -22.9058 -22.2573 -22.2573 -22.2497 -22.2497 -14.2460 -14.2460 -5.9203 -5.9203 -5.7351 -5.7351 -5.6735 -5.6735 -1.3770 -1.3770 0.2928 0.2928 0.4382 0.4382 6.0893 6.0893 6.6547 6.6547 6.8238 6.8238 7.4142 7.4142 7.8136 7.8136 8.0059 8.0059 9.8053 9.8053 10.0074 10.0074 10.1621 10.1621 14.2343 14.2343 14.3448 14.3448 14.4336 14.4336 16.9188 16.9188 k = 0.3563 0.3571 0.5029 ( 2762 PWs) bands (ev): -46.1758 -46.1758 -22.9052 -22.9052 -22.2563 -22.2563 -22.2495 -22.2495 -14.2488 -14.2488 -5.9465 -5.9465 -5.7391 -5.7391 -5.6778 -5.6778 -1.3546 -1.3546 0.3156 0.3156 0.4759 0.4759 6.1065 6.1065 6.6814 6.6814 6.8551 6.8551 7.3825 7.3825 7.8004 7.8004 8.0036 8.0036 9.7617 9.7617 9.9815 9.9815 10.1439 10.1439 14.2031 14.2031 14.3268 14.3268 14.4138 14.4138 16.9010 16.9010 k = 0.3474 0.3482 0.5029 ( 2762 PWs) bands (ev): -46.1759 -46.1759 -22.9046 -22.9046 -22.2553 -22.2553 -22.2492 -22.2492 -14.2518 -14.2518 -5.9737 -5.9737 -5.7432 -5.7432 -5.6818 -5.6818 -1.3317 -1.3317 0.3394 0.3394 0.5145 0.5145 6.1224 6.1224 6.7111 6.7111 6.8879 6.8879 7.3488 7.3488 7.7896 7.7896 8.0020 8.0020 9.7172 9.7172 9.9554 9.9554 10.1242 10.1242 14.1703 14.1703 14.3083 14.3083 14.3933 14.3933 16.8752 16.8752 k = 0.3385 0.3393 0.5029 ( 2758 PWs) bands (ev): -46.1759 -46.1759 -22.9040 -22.9040 -22.2542 -22.2542 -22.2489 -22.2489 -14.2549 -14.2549 -6.0018 -6.0018 -5.7475 -5.7475 -5.6855 -5.6855 -1.3084 -1.3084 0.3642 0.3642 0.5539 0.5539 6.1369 6.1369 6.7438 6.7438 6.9219 6.9219 7.3139 7.3139 7.7811 7.7811 8.0013 8.0013 9.6721 9.6721 9.9292 9.9292 10.1032 10.1032 14.1359 14.1359 14.2894 14.2894 14.3723 14.3723 16.8415 16.8415 k = 0.3296 0.3304 0.5029 ( 2758 PWs) bands (ev): -46.1760 -46.1760 -22.9034 -22.9034 -22.2531 -22.2531 -22.2485 -22.2485 -14.2581 -14.2581 -6.0305 -6.0305 -5.7519 -5.7519 -5.6888 -5.6888 -1.2847 -1.2847 0.3899 0.3899 0.5937 0.5937 6.1498 6.1498 6.7791 6.7792 6.9571 6.9571 7.2785 7.2785 7.7747 7.7747 8.0018 8.0018 9.6268 9.6268 9.9031 9.9031 10.0807 10.0807 14.1000 14.1000 14.2702 14.2702 14.3509 14.3509 16.8003 16.8003 k = 0.3207 0.3214 0.5029 ( 2754 PWs) bands (ev): -46.1760 -46.1760 -22.9027 -22.9027 -22.2519 -22.2519 -22.2482 -22.2482 -14.2614 -14.2614 -6.0599 -6.0599 -5.7564 -5.7564 -5.6917 -5.6917 -1.2609 -1.2609 0.4164 0.4164 0.6336 0.6336 6.1614 6.1614 6.8169 6.8169 6.9932 6.9932 7.2434 7.2434 7.7702 7.7702 8.0036 8.0036 9.5815 9.5815 9.8768 9.8768 10.0566 10.0566 14.0626 14.0626 14.2507 14.2507 14.3293 14.3293 16.7521 16.7521 k = 0.3117 0.3125 0.5029 ( 2766 PWs) bands (ev): -46.1760 -46.1760 -22.9021 -22.9021 -22.2508 -22.2508 -22.2479 -22.2479 -14.2648 -14.2648 -6.0899 -6.0899 -5.7610 -5.7610 -5.6942 -5.6942 -1.2370 -1.2370 0.4437 0.4437 0.6734 0.6734 6.1716 6.1716 6.8566 6.8566 7.0300 7.0300 7.2092 7.2092 7.7674 7.7674 8.0071 8.0071 9.5365 9.5365 9.8506 9.8506 10.0311 10.0311 14.0237 14.0237 14.2311 14.2311 14.3075 14.3075 16.6977 16.6977 k = 0.3028 0.3036 0.5029 ( 2766 PWs) bands (ev): -46.1761 -46.1761 -22.9014 -22.9014 -22.2497 -22.2497 -22.2474 -22.2474 -14.2683 -14.2683 -6.1202 -6.1202 -5.7657 -5.7657 -5.6961 -5.6961 -1.2130 -1.2130 0.4715 0.4715 0.7128 0.7128 6.1806 6.1806 6.8977 6.8977 7.0675 7.0675 7.1768 7.1768 7.7660 7.7660 8.0125 8.0125 9.4922 9.4922 9.8243 9.8243 10.0040 10.0040 13.9836 13.9836 14.2114 14.2114 14.2858 14.2858 16.6377 16.6377 k = 0.2939 0.2946 0.5029 ( 2758 PWs) bands (ev): -46.1761 -46.1761 -22.9006 -22.9006 -22.2486 -22.2486 -22.2468 -22.2468 -14.2719 -14.2719 -6.1508 -6.1508 -5.7705 -5.7705 -5.6975 -5.6975 -1.1893 -1.1893 0.5000 0.5000 0.7515 0.7515 6.1885 6.1885 6.9396 6.9396 7.1054 7.1054 7.1469 7.1469 7.7659 7.7659 8.0204 8.0204 9.4487 9.4487 9.7979 9.7980 9.9753 9.9753 13.9421 13.9421 14.1918 14.1918 14.2641 14.2641 16.5729 16.5729 k = 0.2850 0.2857 0.5029 ( 2762 PWs) bands (ev): -46.1762 -46.1762 -22.8999 -22.8999 -22.2479 -22.2479 -22.2460 -22.2460 -14.2755 -14.2755 -6.1817 -6.1817 -5.7753 -5.7753 -5.6984 -5.6984 -1.1657 -1.1657 0.5289 0.5289 0.7892 0.7892 6.1956 6.1956 6.9813 6.9813 7.1204 7.1204 7.1435 7.1435 7.7668 7.7668 8.0310 8.0310 9.4065 9.4065 9.7715 9.7715 9.9452 9.9452 13.8994 13.8994 14.1722 14.1722 14.2426 14.2426 16.5039 16.5039 k = 0.2761 0.2768 0.5029 ( 2758 PWs) bands (ev): -46.1762 -46.1762 -22.8992 -22.8992 -22.2473 -22.2473 -22.2450 -22.2450 -14.2793 -14.2793 -6.2126 -6.2126 -5.7801 -5.7801 -5.6986 -5.6986 -1.1424 -1.1424 0.5582 0.5582 0.8257 0.8257 6.2019 6.2019 7.0208 7.0208 7.0994 7.0994 7.1815 7.1815 7.7685 7.7685 8.0447 8.0447 9.3658 9.3658 9.7449 9.7449 9.9135 9.9135 13.8556 13.8556 14.1529 14.1529 14.2215 14.2215 16.4313 16.4313 k = 0.2672 0.2679 0.5029 ( 2758 PWs) bands (ev): -46.1763 -46.1763 -22.8985 -22.8985 -22.2468 -22.2468 -22.2438 -22.2438 -14.2830 -14.2830 -6.2436 -6.2436 -5.7850 -5.7850 -5.6982 -5.6982 -1.1195 -1.1195 0.5878 0.5878 0.8608 0.8608 6.2077 6.2077 7.0483 7.0483 7.0937 7.0937 7.2191 7.2191 7.7709 7.7709 8.0620 8.0620 9.3270 9.3270 9.7181 9.7181 9.8802 9.8802 13.8107 13.8107 14.1339 14.1339 14.2008 14.2008 16.3557 16.3557 k = 0.2583 0.2589 0.5029 ( 2760 PWs) bands (ev): -46.1764 -46.1764 -22.8977 -22.8977 -22.2464 -22.2464 -22.2425 -22.2425 -14.2868 -14.2868 -6.2745 -6.2745 -5.7899 -5.7899 -5.6972 -5.6972 -1.0971 -1.0971 0.6176 0.6176 0.8942 0.8942 6.2130 6.2130 7.0473 7.0473 7.1196 7.1196 7.2562 7.2562 7.7738 7.7738 8.0832 8.0832 9.2904 9.2904 9.6910 9.6910 9.8455 9.8455 13.7648 13.7648 14.1153 14.1153 14.1807 14.1807 16.2775 16.2775 k = 0.2494 0.2500 0.5029 ( 2756 PWs) bands (ev): -46.1764 -46.1764 -22.8970 -22.8970 -22.2460 -22.2460 -22.2412 -22.2412 -14.2906 -14.2906 -6.3051 -6.3051 -5.7948 -5.7948 -5.6956 -5.6956 -1.0753 -1.0753 0.6475 0.6475 0.9258 0.9258 6.2180 6.2180 7.0390 7.0390 7.1557 7.1557 7.2924 7.2924 7.7771 7.7771 8.1086 8.1086 9.2563 9.2563 9.6636 9.6636 9.8093 9.8094 13.7181 13.7181 14.0971 14.0971 14.1612 14.1612 16.1973 16.1973 k = 0.2405 0.2411 0.5029 ( 2762 PWs) bands (ev): -46.1765 -46.1765 -22.8963 -22.8963 -22.2456 -22.2456 -22.2399 -22.2399 -14.2944 -14.2944 -6.3355 -6.3355 -5.7996 -5.7996 -5.6933 -5.6933 -1.0541 -1.0541 0.6774 0.6774 0.9553 0.9553 6.2229 6.2229 7.0334 7.0334 7.1921 7.1921 7.3274 7.3274 7.7808 7.7808 8.1383 8.1383 9.2251 9.2251 9.6358 9.6358 9.7718 9.7718 13.6707 13.6707 14.0794 14.0794 14.1424 14.1424 16.1155 16.1155 k = 0.2316 0.2321 0.5029 ( 2758 PWs) bands (ev): -46.1765 -46.1765 -22.8955 -22.8955 -22.2452 -22.2452 -22.2386 -22.2386 -14.2982 -14.2982 -6.3656 -6.3656 -5.8045 -5.8045 -5.6905 -5.6905 -1.0336 -1.0336 0.7071 0.7071 0.9827 0.9827 6.2276 6.2276 7.0324 7.0324 7.2268 7.2268 7.3608 7.3608 7.7848 7.7848 8.1723 8.1723 9.1969 9.1969 9.6075 9.6075 9.7329 9.7329 13.6226 13.6226 14.0623 14.0623 14.1244 14.1244 16.0323 16.0323 k = 0.2227 0.2232 0.5029 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8948 -22.8948 -22.2449 -22.2449 -22.2373 -22.2373 -14.3021 -14.3021 -6.3952 -6.3952 -5.8092 -5.8092 -5.6871 -5.6871 -1.0139 -1.0139 0.7367 0.7367 1.0078 1.0078 6.2323 6.2323 7.0364 7.0364 7.2593 7.2593 7.3925 7.3925 7.7891 7.7891 8.2106 8.2106 9.1722 9.1722 9.5786 9.5786 9.6929 9.6929 13.5740 13.5740 14.0459 14.0459 14.1073 14.1073 15.9483 15.9483 k = 0.2138 0.2143 0.5029 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8941 -22.8941 -22.2445 -22.2445 -22.2360 -22.2360 -14.3058 -14.3058 -6.4242 -6.4242 -5.8140 -5.8140 -5.6831 -5.6831 -0.9950 -0.9950 0.7659 0.7659 1.0307 1.0307 6.2370 6.2370 7.0456 7.0456 7.2895 7.2895 7.4220 7.4220 7.7938 7.7938 8.2530 8.2530 9.1512 9.1512 9.5490 9.5490 9.6517 9.6517 13.5250 13.5250 14.0301 14.0301 14.0910 14.0910 15.8638 15.8638 k = 0.2049 0.2054 0.5029 ( 2754 PWs) bands (ev): -46.1767 -46.1767 -22.8934 -22.8934 -22.2442 -22.2442 -22.2347 -22.2347 -14.3096 -14.3096 -6.4527 -6.4527 -5.8186 -5.8186 -5.6786 -5.6786 -0.9770 -0.9770 0.7947 0.7947 1.0513 1.0513 6.2418 6.2418 7.0603 7.0603 7.3172 7.3172 7.4491 7.4491 7.7988 7.7988 8.2990 8.2990 9.1342 9.1342 9.5186 9.5186 9.6095 9.6095 13.4758 13.4758 14.0151 14.0151 14.0758 14.0758 15.7790 15.7790 k = 0.1960 0.1964 0.5029 ( 2764 PWs) bands (ev): -46.1767 -46.1767 -22.8927 -22.8927 -22.2439 -22.2439 -22.2334 -22.2334 -14.3133 -14.3133 -6.4805 -6.4805 -5.8232 -5.8232 -5.6737 -5.6737 -0.9599 -0.9599 0.8230 0.8230 1.0696 1.0696 6.2467 6.2467 7.0804 7.0804 7.3426 7.3426 7.4737 7.4737 7.8044 7.8044 8.3482 8.3483 9.1212 9.1212 9.4873 9.4873 9.5666 9.5666 13.4266 13.4266 14.0010 14.0010 14.0615 14.0615 15.6944 15.6944 k = 0.1870 0.1875 0.5029 ( 2756 PWs) bands (ev): -46.1768 -46.1768 -22.8920 -22.8920 -22.2435 -22.2435 -22.2321 -22.2321 -14.3169 -14.3169 -6.5075 -6.5075 -5.8276 -5.8276 -5.6683 -5.6683 -0.9438 -0.9438 0.8505 0.8505 1.0858 1.0858 6.2519 6.2519 7.1058 7.1058 7.3658 7.3658 7.4954 7.4954 7.8104 7.8104 8.4002 8.4002 9.1125 9.1125 9.4548 9.4548 9.5230 9.5231 13.3775 13.3775 13.9877 13.9877 14.0483 14.0483 15.6102 15.6102 k = 0.1781 0.1786 0.5029 ( 2752 PWs) bands (ev): -46.1768 -46.1768 -22.8913 -22.8913 -22.2432 -22.2432 -22.2309 -22.2309 -14.3204 -14.3204 -6.5337 -6.5337 -5.8319 -5.8319 -5.6625 -5.6625 -0.9287 -0.9287 0.8773 0.8773 1.0998 1.0998 6.2571 6.2571 7.1364 7.1364 7.3869 7.3869 7.5142 7.5142 7.8171 7.8171 8.4544 8.4544 9.1080 9.1080 9.4210 9.4210 9.4792 9.4792 13.3287 13.3287 13.9752 13.9752 14.0360 14.0360 15.5268 15.5268 k = 0.1692 0.1696 0.5029 ( 2752 PWs) bands (ev): -46.1768 -46.1768 -22.8907 -22.8907 -22.2429 -22.2429 -22.2297 -22.2297 -14.3239 -14.3239 -6.5591 -6.5591 -5.8362 -5.8362 -5.6564 -5.6564 -0.9146 -0.9146 0.9032 0.9032 1.1120 1.1120 6.2625 6.2625 7.1720 7.1720 7.4061 7.4061 7.5300 7.5300 7.8245 7.8245 8.5101 8.5101 9.1076 9.1076 9.3855 9.3855 9.4355 9.4355 13.2803 13.2803 13.9637 13.9637 14.0248 14.0248 15.4444 15.4444 k = 0.1603 0.1607 0.5029 ( 2756 PWs) bands (ev): -46.1769 -46.1769 -22.8901 -22.8901 -22.2426 -22.2426 -22.2285 -22.2285 -14.3273 -14.3273 -6.5835 -6.5835 -5.8402 -5.8402 -5.6500 -5.6500 -0.9016 -0.9016 0.9281 0.9281 1.1224 1.1224 6.2681 6.2681 7.2125 7.2125 7.4236 7.4236 7.5429 7.5429 7.8326 7.8326 8.5668 8.5668 9.1113 9.1113 9.3480 9.3481 9.3922 9.3923 13.2327 13.2327 13.9531 13.9531 14.0145 14.0145 15.3635 15.3635 k = 0.1514 0.1518 0.5029 ( 2752 PWs) bands (ev): -46.1769 -46.1769 -22.8894 -22.8894 -22.2423 -22.2423 -22.2274 -22.2274 -14.3305 -14.3305 -6.6069 -6.6069 -5.8441 -5.8441 -5.6434 -5.6434 -0.8896 -0.8896 0.9517 0.9517 1.1314 1.1314 6.2738 6.2738 7.2574 7.2574 7.4395 7.4395 7.5529 7.5529 7.8416 7.8416 8.6241 8.6241 9.1187 9.1187 9.3084 9.3085 9.3498 9.3498 13.1859 13.1859 13.9434 13.9434 14.0053 14.0053 15.2842 15.2842 k = 0.1425 0.1429 0.5029 ( 2754 PWs) bands (ev): -46.1770 -46.1770 -22.8889 -22.8889 -22.2420 -22.2420 -22.2263 -22.2263 -14.3337 -14.3337 -6.6293 -6.6293 -5.8479 -5.8479 -5.6367 -5.6367 -0.8787 -0.8787 0.9739 0.9739 1.1391 1.1391 6.2796 6.2796 7.3065 7.3065 7.4541 7.4541 7.5602 7.5602 7.8513 7.8513 8.6812 8.6812 9.1295 9.1295 9.2667 9.2667 9.3081 9.3082 13.1402 13.1402 13.9347 13.9347 13.9970 13.9970 15.2070 15.2070 k = 0.1336 0.1339 0.5029 ( 2758 PWs) bands (ev): -46.1770 -46.1770 -22.8883 -22.8883 -22.2417 -22.2417 -22.2253 -22.2253 -14.3367 -14.3367 -6.6505 -6.6505 -5.8514 -5.8514 -5.6299 -5.6299 -0.8688 -0.8688 0.9946 0.9946 1.1459 1.1459 6.2855 6.2855 7.3593 7.3593 7.4675 7.4675 7.5651 7.5651 7.8619 7.8619 8.7378 8.7378 9.1432 9.1432 9.2234 9.2235 9.2670 9.2671 13.0958 13.0958 13.9269 13.9269 13.9896 13.9896 15.1321 15.1321 k = 0.1247 0.1250 0.5029 ( 2758 PWs) bands (ev): -46.1771 -46.1771 -22.8878 -22.8878 -22.2415 -22.2415 -22.2243 -22.2243 -14.3395 -14.3395 -6.6706 -6.6706 -5.8548 -5.8548 -5.6230 -5.6230 -0.8599 -0.8599 1.0134 1.0134 1.1521 1.1521 6.2914 6.2914 7.4153 7.4153 7.4800 7.4800 7.5679 7.5679 7.8733 7.8733 8.7934 8.7934 9.1590 9.1590 9.1796 9.1796 9.2261 9.2261 13.0529 13.0529 13.9200 13.9200 13.9830 13.9830 15.0600 15.0600 k = 0.1158 0.1161 0.5029 ( 2762 PWs) bands (ev): -46.1771 -46.1771 -22.8873 -22.8873 -22.2412 -22.2412 -22.2234 -22.2234 -14.3422 -14.3422 -6.6895 -6.6895 -5.8580 -5.8580 -5.6163 -5.6163 -0.8520 -0.8520 1.0303 1.0303 1.1580 1.1580 6.2973 6.2973 7.4715 7.4715 7.4942 7.4942 7.5688 7.5688 7.8855 7.8855 8.8473 8.8473 9.1339 9.1340 9.1753 9.1753 9.1877 9.1877 13.0117 13.0117 13.9139 13.9139 13.9773 13.9773 14.9908 14.9908 k = 0.1069 0.1071 0.5029 ( 2766 PWs) bands (ev): -46.1771 -46.1771 -22.8869 -22.8869 -22.2410 -22.2410 -22.2226 -22.2226 -14.3448 -14.3448 -6.7072 -6.7072 -5.8610 -5.8610 -5.6097 -5.6097 -0.8450 -0.8450 1.0449 1.0449 1.1640 1.1640 6.3031 6.3031 7.4975 7.4975 7.5400 7.5400 7.5683 7.5683 7.8984 7.8984 8.8991 8.8991 9.0894 9.0894 9.1415 9.1415 9.1992 9.1992 12.9725 12.9725 13.9087 13.9087 13.9723 13.9723 14.9250 14.9250 k = 0.0980 0.0982 0.5029 ( 2760 PWs) bands (ev): -46.1772 -46.1772 -22.8864 -22.8864 -22.2408 -22.2408 -22.2217 -22.2217 -14.3471 -14.3471 -6.7236 -6.7236 -5.8638 -5.8638 -5.6033 -5.6033 -0.8389 -0.8389 1.0571 1.0571 1.1703 1.1703 6.3087 6.3087 7.5076 7.5076 7.5661 7.5661 7.6034 7.6034 7.9120 7.9120 8.9480 8.9480 9.0453 9.0454 9.0994 9.0994 9.2197 9.2197 12.9354 12.9354 13.9043 13.9043 13.9680 13.9680 14.8629 14.8629 k = 0.0891 0.0893 0.5029 ( 2760 PWs) bands (ev): -46.1772 -46.1772 -22.8860 -22.8860 -22.2406 -22.2406 -22.2209 -22.2209 -14.3493 -14.3493 -6.7387 -6.7387 -5.8663 -5.8663 -5.5972 -5.5972 -0.8336 -0.8336 1.0670 1.0670 1.1770 1.1770 6.3142 6.3142 7.5159 7.5159 7.5635 7.5635 7.6687 7.6687 7.9262 7.9262 8.9854 8.9854 9.0101 9.0101 9.0569 9.0569 9.2409 9.2409 12.9007 12.9007 13.9006 13.9006 13.9643 13.9643 14.8047 14.8047 k = 0.0802 0.0804 0.5029 ( 2758 PWs) bands (ev): -46.1772 -46.1772 -22.8857 -22.8857 -22.2404 -22.2404 -22.2203 -22.2203 -14.3514 -14.3514 -6.7524 -6.7524 -5.8686 -5.8686 -5.5914 -5.5914 -0.8290 -0.8290 1.0745 1.0745 1.1842 1.1842 6.3193 6.3193 7.5232 7.5232 7.5602 7.5602 7.7352 7.7352 7.9409 7.9409 8.9526 8.9526 9.0147 9.0147 9.0419 9.0419 9.2619 9.2619 12.8686 12.8686 13.8976 13.8976 13.9612 13.9612 14.7510 14.7510 k = 0.0713 0.0714 0.5029 ( 2768 PWs) bands (ev): -46.1772 -46.1772 -22.8854 -22.8854 -22.2403 -22.2403 -22.2197 -22.2197 -14.3532 -14.3532 -6.7648 -6.7648 -5.8708 -5.8708 -5.5861 -5.5861 -0.8252 -0.8252 1.0801 1.0801 1.1916 1.1916 6.3241 6.3241 7.5294 7.5294 7.5567 7.5567 7.8020 7.8020 7.9559 7.9559 8.9083 8.9083 8.9739 8.9740 9.0811 9.0811 9.2823 9.2823 12.8393 12.8393 13.8951 13.8951 13.9587 13.9587 14.7018 14.7018 k = 0.0623 0.0625 0.5029 ( 2770 PWs) bands (ev): -46.1773 -46.1773 -22.8851 -22.8851 -22.2401 -22.2401 -22.2191 -22.2191 -14.3548 -14.3548 -6.7758 -6.7758 -5.8726 -5.8726 -5.5812 -5.5812 -0.8221 -0.8221 1.0840 1.0840 1.1990 1.1990 6.3285 6.3285 7.5347 7.5347 7.5533 7.5533 7.8679 7.8679 7.9716 7.9716 8.8625 8.8626 8.9355 8.9355 9.1170 9.1170 9.3016 9.3016 12.8130 12.8130 13.8932 13.8932 13.9566 13.9566 14.6576 14.6576 k = 0.0534 0.0536 0.5029 ( 2770 PWs) bands (ev): -46.1773 -46.1773 -22.8848 -22.8848 -22.2400 -22.2400 -22.2187 -22.2187 -14.3562 -14.3562 -6.7853 -6.7853 -5.8743 -5.8743 -5.5768 -5.5768 -0.8195 -0.8195 1.0867 1.0867 1.2060 1.2060 6.3325 6.3325 7.5385 7.5385 7.5505 7.5505 7.9297 7.9297 7.9900 7.9900 8.8156 8.8157 8.9005 8.9005 9.1489 9.1489 9.3193 9.3193 12.7898 12.7898 13.8918 13.8918 13.9549 13.9549 14.6187 14.6187 k = 0.0445 0.0446 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8846 -22.8846 -22.2399 -22.2399 -22.2182 -22.2182 -14.3574 -14.3574 -6.7935 -6.7935 -5.8756 -5.8756 -5.5731 -5.5731 -0.8174 -0.8174 1.0884 1.0884 1.2123 1.2123 6.3359 6.3359 7.5402 7.5402 7.5494 7.5494 7.9751 7.9751 8.0222 8.0222 8.7679 8.7679 8.8697 8.8697 9.1763 9.1763 9.3349 9.3349 12.7698 12.7698 13.8907 13.8907 13.9535 13.9535 14.5853 14.5853 k = 0.0356 0.0357 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8844 -22.8844 -22.2398 -22.2398 -22.2179 -22.2179 -14.3584 -14.3584 -6.8001 -6.8001 -5.8768 -5.8768 -5.5699 -5.5699 -0.8157 -0.8157 1.0895 1.0895 1.2178 1.2178 6.3388 6.3388 7.5393 7.5393 7.5506 7.5506 7.9959 7.9959 8.0744 8.0744 8.7203 8.7203 8.8437 8.8437 9.1992 9.1992 9.3483 9.3483 12.7533 12.7533 13.8900 13.8900 13.9525 13.9525 14.5576 14.5576 k = 0.0267 0.0268 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8843 -22.8843 -22.2397 -22.2397 -22.2176 -22.2176 -14.3592 -14.3592 -6.8053 -6.8053 -5.8777 -5.8777 -5.5674 -5.5674 -0.8145 -0.8145 1.0901 1.0901 1.2222 1.2222 6.3411 6.3411 7.5375 7.5375 7.5524 7.5524 8.0078 8.0078 8.1285 8.1285 8.6748 8.6748 8.8229 8.8229 9.2171 9.2171 9.3590 9.3590 12.7404 12.7404 13.8894 13.8894 13.9517 13.9517 14.5358 14.5358 k = 0.0178 0.0179 0.5029 ( 2758 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8841 -22.2396 -22.2396 -22.2174 -22.2174 -14.3597 -14.3597 -6.8091 -6.8091 -5.8783 -5.8783 -5.5656 -5.5656 -0.8137 -0.8137 1.0905 1.0905 1.2254 1.2254 6.3428 6.3428 7.5360 7.5360 7.5539 7.5539 8.0158 8.0158 8.1755 8.1755 8.6348 8.6348 8.8078 8.8078 9.2301 9.2301 9.3668 9.3668 12.7311 12.7311 13.8891 13.8891 13.9512 13.9512 14.5201 14.5201 k = 0.0089 0.0089 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8841 -22.2396 -22.2396 -22.2173 -22.2173 -14.3601 -14.3601 -6.8113 -6.8113 -5.8787 -5.8787 -5.5645 -5.5645 -0.8132 -0.8132 1.0907 1.0907 1.2274 1.2274 6.3438 6.3438 7.5350 7.5350 7.5548 7.5548 8.0206 8.0206 8.2089 8.2089 8.6059 8.6059 8.7985 8.7985 9.2379 9.2379 9.3716 9.3716 12.7254 12.7254 13.8889 13.8889 13.9509 13.9509 14.5107 14.5107 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8841 -22.2396 -22.2396 -22.2172 -22.2172 -14.3602 -14.3602 -6.8120 -6.8120 -5.8788 -5.8788 -5.5642 -5.5642 -0.8130 -0.8130 1.0907 1.0907 1.2281 1.2281 6.3441 6.3441 7.5347 7.5347 7.5552 7.5552 8.0222 8.0222 8.2212 8.2212 8.5951 8.5951 8.7954 8.7954 9.2405 9.2405 9.3732 9.3732 12.7236 12.7236 13.8888 13.8888 13.9508 13.9508 14.5075 14.5075 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8841 -22.2396 -22.2396 -22.2172 -22.2172 -14.3602 -14.3602 -6.8120 -6.8120 -5.8788 -5.8788 -5.5642 -5.5642 -0.8130 -0.8130 1.0907 1.0907 1.2281 1.2281 6.3441 6.3441 7.5347 7.5347 7.5552 7.5552 8.0222 8.0222 8.2212 8.2212 8.5951 8.5951 8.7954 8.7954 9.2405 9.2405 9.3732 9.3732 12.7236 12.7236 13.8888 13.8888 13.9508 13.9508 14.5075 14.5075 k = 0.0000 0.0000 0.4903 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8840 -22.2396 -22.2395 -22.2172 -22.2172 -14.3604 -14.3604 -6.8115 -6.8115 -5.8789 -5.8789 -5.5649 -5.5649 -0.8136 -0.8131 1.0904 1.0904 1.2273 1.2278 6.3465 6.3467 7.5356 7.5357 7.5561 7.5563 8.0229 8.0233 8.2211 8.2244 8.5940 8.5973 8.7957 8.7957 9.2411 9.2417 9.3739 9.3742 12.7233 12.7233 13.8861 13.8868 13.9480 13.9488 14.5074 14.5080 k = 0.0000 0.0000 0.4777 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8840 -22.8840 -22.2394 -22.2394 -22.2173 -22.2173 -14.3610 -14.3609 -6.8099 -6.8098 -5.8790 -5.8790 -5.5672 -5.5672 -0.8148 -0.8137 1.0894 1.0894 1.2256 1.2264 6.3538 6.3543 7.5385 7.5386 7.5591 7.5596 8.0256 8.0264 8.2239 8.2307 8.5941 8.6007 8.7965 8.7966 9.2436 9.2448 9.3763 9.3769 12.7226 12.7227 13.8786 13.8799 13.9405 13.9422 14.5075 14.5086 k = 0.0000 0.0000 0.4652 ( 2758 PWs) bands (ev): -46.1773 -46.1773 -22.8839 -22.8838 -22.2391 -22.2391 -22.2173 -22.2173 -14.3619 -14.3619 -6.8072 -6.8071 -5.8793 -5.8793 -5.5710 -5.5709 -0.8166 -0.8149 1.0877 1.0878 1.2227 1.2240 6.3660 6.3669 7.5432 7.5434 7.5643 7.5651 8.0303 8.0314 8.2297 8.2399 8.5955 8.6053 8.7980 8.7980 9.2478 9.2498 9.3804 9.3813 12.7215 12.7215 13.8663 13.8683 13.9285 13.9309 14.5079 14.5095 k = 0.0000 0.0000 0.4526 ( 2758 PWs) bands (ev): -46.1774 -46.1774 -22.8837 -22.8836 -22.2388 -22.2387 -22.2173 -22.2173 -14.3632 -14.3632 -6.8035 -6.8033 -5.8797 -5.8797 -5.5762 -5.5761 -0.8191 -0.8168 1.0854 1.0856 1.2189 1.2206 6.3831 6.3842 7.5497 7.5501 7.5715 7.5726 8.0369 8.0383 8.2384 8.2521 8.5982 8.6112 8.8000 8.8001 9.2538 9.2565 9.3861 9.3873 12.7199 12.7200 13.8494 13.8520 13.9119 13.9150 14.5085 14.5106 k = 0.0000 0.0000 0.4400 ( 2766 PWs) bands (ev): -46.1774 -46.1774 -22.8835 -22.8834 -22.2383 -22.2382 -22.2174 -22.2174 -14.3649 -14.3649 -6.7988 -6.7986 -5.8801 -5.8801 -5.5829 -5.5828 -0.8220 -0.8192 1.0825 1.0828 1.2141 1.2162 6.4050 6.4064 7.5579 7.5585 7.5809 7.5821 8.0454 8.0471 8.2497 8.2670 8.6022 8.6185 8.8026 8.8028 9.2616 9.2651 9.3934 9.3950 12.7179 12.7180 13.8279 13.8311 13.8909 13.8947 14.5093 14.5118 k = 0.0000 0.0000 0.4275 ( 2774 PWs) bands (ev): -46.1774 -46.1774 -22.8833 -22.8832 -22.2378 -22.2377 -22.2174 -22.2174 -14.3669 -14.3669 -6.7931 -6.7928 -5.8807 -5.8807 -5.5908 -5.5907 -0.8256 -0.8222 1.0790 1.0793 1.2083 1.2108 6.4315 6.4332 7.5677 7.5686 7.5922 7.5936 8.0558 8.0577 8.2637 8.2846 8.6079 8.6273 8.8059 8.8062 9.2710 9.2754 9.4024 9.4043 12.7155 12.7156 13.8020 13.8058 13.8657 13.8700 14.5102 14.5131 k = 0.0000 0.0000 0.4149 ( 2774 PWs) bands (ev): -46.1774 -46.1774 -22.8830 -22.8829 -22.2372 -22.2370 -22.2175 -22.2175 -14.3693 -14.3692 -6.7864 -6.7862 -5.8814 -5.8814 -5.6000 -5.5999 -0.8297 -0.8258 1.0750 1.0753 1.2016 1.2045 6.4625 6.4645 7.5790 7.5802 7.6055 7.6071 8.0681 8.0703 8.2801 8.3047 8.6154 8.6378 8.8100 8.8104 9.2820 9.2875 9.4129 9.4151 12.7127 12.7128 13.7717 13.7761 13.8364 13.8412 14.5113 14.5145 k = 0.0000 0.0000 0.4023 ( 2770 PWs) bands (ev): -46.1774 -46.1774 -22.8827 -22.8825 -22.2364 -22.2362 -22.2175 -22.2175 -14.3720 -14.3719 -6.7789 -6.7786 -5.8821 -5.8821 -5.6104 -5.6103 -0.8343 -0.8299 1.0704 1.0707 1.1941 1.1973 6.4978 6.5001 7.5916 7.5932 7.6207 7.6224 8.0823 8.0846 8.2987 8.3269 8.6250 8.6501 8.8148 8.8153 9.2946 9.3013 9.4249 9.4274 12.7096 12.7096 13.7374 13.7423 13.8032 13.8084 14.5124 14.5158 k = 0.0000 0.0000 0.3897 ( 2766 PWs) bands (ev): -46.1775 -46.1775 -22.8823 -22.8821 -22.2355 -22.2353 -22.2176 -22.2175 -14.3750 -14.3749 -6.7706 -6.7703 -5.8830 -5.8830 -5.6218 -5.6217 -0.8395 -0.8346 1.0653 1.0657 1.1857 1.1892 6.5372 6.5399 7.6053 7.6074 7.6376 7.6393 8.0985 8.1008 8.3193 8.3509 8.6371 8.6646 8.8204 8.8211 9.3087 9.3168 9.4384 9.4412 12.7060 12.7061 13.6991 13.7045 13.7663 13.7719 14.5136 14.5172 k = 0.0000 0.0000 0.3772 ( 2774 PWs) bands (ev): -46.1775 -46.1775 -22.8819 -22.8817 -22.2346 -22.2344 -22.2176 -22.2176 -14.3783 -14.3781 -6.7616 -6.7612 -5.8839 -5.8839 -5.6342 -5.6340 -0.8451 -0.8397 1.0597 1.0601 1.1765 1.1804 6.5806 6.5836 7.6201 7.6228 7.6560 7.6579 8.1165 8.1188 8.3415 8.3763 8.6519 8.6813 8.8269 8.8278 9.3242 9.3338 9.4532 9.4564 12.7022 12.7023 13.6571 13.6630 13.7259 13.7318 14.5148 14.5185 k = 0.0000 0.0000 0.3646 ( 2766 PWs) bands (ev): -46.1775 -46.1775 -22.8814 -22.8812 -22.2336 -22.2333 -22.2177 -22.2176 -14.3818 -14.3817 -6.7519 -6.7515 -5.8849 -5.8849 -5.6474 -5.6472 -0.8511 -0.8453 1.0537 1.0542 1.1667 1.1709 6.6276 6.6310 7.6357 7.6392 7.6760 7.6778 8.1363 8.1387 8.3651 8.4026 8.6702 8.7007 8.8343 8.8354 9.3411 9.3524 9.4693 9.4729 12.6981 12.6981 13.6115 13.6179 13.6822 13.6883 14.5160 14.5197 k = 0.0000 0.0000 0.3520 ( 2766 PWs) bands (ev): -46.1776 -46.1776 -22.8809 -22.8807 -22.2325 -22.2322 -22.2177 -22.2177 -14.3855 -14.3854 -6.7417 -6.7413 -5.8860 -5.8860 -5.6612 -5.6611 -0.8575 -0.8514 1.0473 1.0478 1.1561 1.1606 6.6780 6.6818 7.6521 7.6563 7.6971 7.6989 8.1580 8.1602 8.3899 8.4292 8.6922 8.7229 8.8426 8.8441 9.3592 9.3725 9.4866 9.4906 12.6937 12.6937 13.5628 13.5696 13.6355 13.6417 14.5171 14.5209 k = 0.0000 0.0000 0.3395 ( 2770 PWs) bands (ev): -46.1776 -46.1776 -22.8805 -22.8802 -22.2314 -22.2311 -22.2178 -22.2178 -14.3895 -14.3894 -6.7310 -6.7306 -5.8871 -5.8871 -5.6756 -5.6755 -0.8643 -0.8578 1.0405 1.0411 1.1450 1.1498 6.7314 6.7358 7.6691 7.6741 7.7193 7.7211 8.1815 8.1835 8.4155 8.4558 8.7185 8.7482 8.8519 8.8538 9.3785 9.3940 9.5050 9.5095 12.6890 12.6891 13.5110 13.5182 13.5860 13.5923 14.5182 14.5220 k = 0.0000 0.0000 0.3269 ( 2769 PWs) bands (ev): -46.1776 -46.1776 -22.8799 -22.8797 -22.2301 -22.2298 -22.2179 -22.2178 -14.3937 -14.3936 -6.7200 -6.7196 -5.8883 -5.8883 -5.6904 -5.6903 -0.8715 -0.8646 1.0335 1.0341 1.1335 1.1384 6.7877 6.7926 7.6864 7.6924 7.7422 7.7439 8.2069 8.2085 8.4417 8.4818 8.7492 8.7768 8.8621 8.8646 9.3989 9.4169 9.5245 9.5294 12.6842 12.6842 13.4565 13.4641 13.5338 13.5402 14.5193 14.5230 k = 0.0000 0.0000 0.3143 ( 2769 PWs) bands (ev): -46.1777 -46.1777 -22.8794 -22.8791 -22.2289 -22.2285 -22.2180 -22.2179 -14.3980 -14.3979 -6.7087 -6.7083 -5.8895 -5.8895 -5.7054 -5.7053 -0.8789 -0.8718 1.0262 1.0268 1.1214 1.1266 6.8463 6.8518 7.7040 7.7110 7.7657 7.7673 8.2339 8.2352 8.4683 8.5073 8.7845 8.8088 8.8734 8.8767 9.4204 9.4412 9.5449 9.5504 12.6792 12.6792 13.3996 13.4075 13.4794 13.4858 14.5202 14.5239 k = 0.0000 0.0000 0.3017 ( 2773 PWs) bands (ev): -46.1777 -46.1777 -22.8788 -22.8785 -22.2276 -22.2272 -22.2180 -22.2180 -14.4025 -14.4023 -6.6973 -6.6969 -5.8908 -5.8908 -5.7205 -5.7205 -0.8866 -0.8792 1.0186 1.0194 1.1091 1.1144 6.9070 6.9132 7.7216 7.7297 7.7895 7.7910 8.2627 8.2635 8.4953 8.5322 8.8239 8.8441 8.8857 8.8902 9.4428 9.4667 9.5661 9.5722 12.6740 12.6740 13.3405 13.3488 13.4229 13.4293 14.5212 14.5247 k = 0.0000 0.0000 0.2892 ( 2773 PWs) bands (ev): -46.1777 -46.1777 -22.8782 -22.8780 -22.2262 -22.2259 -22.2181 -22.2181 -14.4070 -14.4069 -6.6859 -6.6855 -5.8921 -5.8921 -5.7356 -5.7355 -0.8945 -0.8869 1.0110 1.0118 1.0964 1.1019 6.9694 6.9764 7.7391 7.7484 7.8134 7.8147 8.2931 8.2935 8.5226 8.5567 8.8659 8.8827 8.8989 8.9064 9.4662 9.4935 9.5881 9.5948 12.6687 12.6688 13.2796 13.2882 13.3646 13.3710 14.5221 14.5255 k = 0.0000 0.0000 0.2766 ( 2777 PWs) bands (ev): -46.1778 -46.1778 -22.8777 -22.8774 -22.2249 -22.2245 -22.2182 -22.2181 -14.4117 -14.4115 -6.6747 -6.6743 -5.8935 -5.8934 -5.7504 -5.7504 -0.9025 -0.8947 1.0032 1.0040 1.0836 1.0892 7.0330 7.0409 7.7565 7.7670 7.8370 7.8382 8.3250 8.3252 8.5503 8.5811 8.9030 8.9127 8.9247 8.9323 9.4902 9.5215 9.6108 9.6181 12.6634 12.6635 13.2172 13.2262 13.3049 13.3112 14.5229 14.5262 k = 0.0000 0.0000 0.2640 ( 2781 PWs) bands (ev): -46.1778 -46.1778 -22.8771 -22.8768 -22.2235 -22.2231 -22.2183 -22.2182 -14.4164 -14.4162 -6.6636 -6.6632 -5.8948 -5.8948 -5.7650 -5.7649 -0.9106 -0.9028 0.9953 0.9962 1.0707 1.0763 7.0975 7.1065 7.7734 7.7853 7.8602 7.8613 8.3579 8.3588 8.5784 8.6056 8.9257 8.9277 8.9691 8.9767 9.5150 9.5505 9.6340 9.6420 12.6579 12.6581 13.1537 13.1629 13.2439 13.2502 14.5236 14.5268 k = 0.0000 0.0000 0.2514 ( 2777 PWs) bands (ev): -46.1779 -46.1779 -22.8765 -22.8762 -22.2222 -22.2218 -22.2183 -22.2182 -14.4211 -14.4209 -6.6529 -6.6525 -5.8962 -5.8961 -5.7790 -5.7789 -0.9188 -0.9109 0.9875 0.9884 1.0577 1.0633 7.1624 7.1725 7.7900 7.8034 7.8828 7.8836 8.3923 8.3938 8.6070 8.6306 8.9433 8.9437 9.0161 9.0296 9.5404 9.5807 9.6576 9.6664 12.6525 12.6528 13.0893 13.0989 13.1821 13.1883 14.5243 14.5274 k = 0.0000 0.0000 0.2389 ( 2773 PWs) bands (ev): -46.1779 -46.1779 -22.8759 -22.8756 -22.2209 -22.2205 -22.2182 -22.2181 -14.4258 -14.4256 -6.6426 -6.6423 -5.8975 -5.8975 -5.7924 -5.7923 -0.9271 -0.9191 0.9797 0.9807 1.0448 1.0504 7.2272 7.2387 7.8060 7.8210 7.9044 7.9051 8.4279 8.4301 8.6362 8.6562 8.9594 8.9611 9.0652 9.0859 9.5663 9.6118 9.6815 9.6912 12.6471 12.6474 13.0246 13.0344 13.1196 13.1258 14.5250 14.5279 k = 0.0000 0.0000 0.2263 ( 2773 PWs) bands (ev): -46.1780 -46.1780 -22.8753 -22.8750 -22.2199 -22.2195 -22.2178 -22.2177 -14.4304 -14.4303 -6.6329 -6.6326 -5.8989 -5.8988 -5.8051 -5.8050 -0.9352 -0.9273 0.9719 0.9730 1.0320 1.0375 7.2915 7.3045 7.8214 7.8382 7.9251 7.9256 8.4647 8.4676 8.6659 8.6825 8.9760 8.9786 9.1159 9.1445 9.5926 9.6437 9.7057 9.7163 12.6417 12.6421 12.9598 12.9699 13.0570 13.0631 14.5256 14.5283 k = 0.0000 0.0000 0.2137 ( 2773 PWs) bands (ev): -46.1780 -46.1780 -22.8747 -22.8744 -22.2194 -22.2191 -22.2169 -22.2169 -14.4350 -14.4349 -6.6238 -6.6235 -5.9002 -5.9002 -5.8169 -5.8168 -0.9433 -0.9355 0.9643 0.9655 1.0194 1.0249 7.3546 7.3695 7.8363 7.8550 7.9445 7.9449 8.5025 8.5061 8.6963 8.7096 8.9929 8.9962 9.1678 9.2046 9.6191 9.6763 9.7301 9.7416 12.6364 12.6369 12.8954 12.9057 12.9945 13.0005 14.5261 14.5287 k = 0.0000 0.0000 0.2012 ( 2781 PWs) bands (ev): -46.1780 -46.1780 -22.8741 -22.8739 -22.2192 -22.2190 -22.2158 -22.2157 -14.4395 -14.4394 -6.6155 -6.6152 -5.9015 -5.9015 -5.8278 -5.8276 -0.9512 -0.9435 0.9569 0.9581 1.0072 1.0124 7.4163 7.4331 7.8506 7.8714 7.9627 7.9629 8.5412 8.5454 8.7271 8.7374 9.0099 9.0138 9.2205 9.2656 9.6457 9.7093 9.7546 9.7669 12.6311 12.6318 12.8318 12.8424 12.9324 12.9383 14.5266 14.5291 k = 0.0000 0.0000 0.1886 ( 2781 PWs) bands (ev): -46.1781 -46.1781 -22.8736 -22.8733 -22.2192 -22.2190 -22.2146 -22.2144 -14.4439 -14.4438 -6.6079 -6.6076 -5.9028 -5.9027 -5.8378 -5.8375 -0.9590 -0.9514 0.9497 0.9509 0.9953 1.0003 7.4757 7.4949 7.8645 7.8876 7.9796 7.9796 8.5804 8.5853 8.7583 8.7657 9.0267 9.0313 9.2735 9.3270 9.6724 9.7423 9.7795 9.7923 12.6259 12.6267 12.7694 12.7803 12.8713 12.8769 14.5271 14.5294 k = 0.0000 0.0000 0.1760 ( 2773 PWs) bands (ev): -46.1781 -46.1781 -22.8730 -22.8727 -22.2191 -22.2191 -22.2133 -22.2131 -14.4481 -14.4480 -6.6011 -6.6009 -5.9040 -5.9040 -5.8467 -5.8464 -0.9665 -0.9592 0.9427 0.9440 0.9838 0.9886 7.5325 7.5542 7.8781 7.9037 7.9949 7.9951 8.6201 8.6256 8.7896 8.7945 9.0432 9.0484 9.3263 9.3881 9.6988 9.7743 9.8053 9.8175 12.6205 12.6217 12.7090 12.7201 12.8113 12.8168 14.5275 14.5297 k = 0.0000 0.0000 0.1634 ( 2773 PWs) bands (ev): -46.1781 -46.1781 -22.8725 -22.8722 -22.2192 -22.2191 -22.2120 -22.2118 -14.4522 -14.4520 -6.5951 -6.5949 -5.9052 -5.9051 -5.8545 -5.8542 -0.9737 -0.9667 0.9360 0.9374 0.9729 0.9773 7.5859 7.6104 7.8916 7.9199 8.0089 8.0093 8.6600 8.6660 8.8208 8.8234 9.0590 9.0649 9.3785 9.4484 9.7248 9.8041 9.8327 9.8425 12.6143 12.6158 12.6515 12.6630 12.7531 12.7583 14.5279 14.5299 k = 0.0000 0.0000 0.1509 ( 2773 PWs) bands (ev): -46.1782 -46.1782 -22.8720 -22.8718 -22.2192 -22.2192 -22.2108 -22.2106 -14.4560 -14.4559 -6.5899 -6.5898 -5.9063 -5.9062 -5.8614 -5.8611 -0.9805 -0.9738 0.9296 0.9311 0.9625 0.9666 7.6355 7.6627 7.9054 7.9364 8.0216 8.0221 8.6997 8.7063 8.8515 8.8521 9.0740 9.0805 9.4297 9.5072 9.7501 9.8306 9.8624 9.8671 12.5906 12.5964 12.6161 12.6199 12.6972 12.7019 14.5283 14.5301 k = 0.0000 0.0000 0.1383 ( 2769 PWs) bands (ev): -46.1782 -46.1782 -22.8715 -22.8713 -22.2192 -22.2192 -22.2097 -22.2095 -14.4597 -14.4595 -6.5856 -6.5855 -5.9074 -5.9073 -5.8672 -5.8669 -0.9870 -0.9807 0.9236 0.9252 0.9527 0.9564 7.6805 7.7103 7.9199 7.9534 8.0329 8.0336 8.7390 8.7461 8.8805 8.8816 9.0880 9.0949 9.4796 9.5641 9.7746 9.8542 9.8913 9.8934 12.5397 12.5492 12.6079 12.6091 12.6453 12.6487 14.5287 14.5303 k = 0.0000 0.0000 0.1257 ( 2765 PWs) bands (ev): -46.1782 -46.1782 -22.8711 -22.8709 -22.2193 -22.2192 -22.2086 -22.2084 -14.4630 -14.4629 -6.5820 -6.5819 -5.9083 -5.9083 -5.8721 -5.8718 -0.9931 -0.9872 0.9180 0.9197 0.9437 0.9469 7.7205 7.7522 7.9360 7.9712 8.0430 8.0439 8.7776 8.7851 8.9080 8.9105 9.1006 9.1080 9.5277 9.6183 9.7981 9.8754 9.9147 9.9242 12.4907 12.5006 12.5847 12.5909 12.6112 12.6125 14.5290 14.5305 k = 0.0000 0.0000 0.1132 ( 2761 PWs) bands (ev): -46.1783 -46.1783 -22.8707 -22.8705 -22.2193 -22.2193 -22.2076 -22.2074 -14.4662 -14.4661 -6.5790 -6.5790 -5.9092 -5.9092 -5.8762 -5.8758 -0.9986 -0.9932 0.9128 0.9146 0.9354 0.9382 7.7551 7.7875 7.9540 7.9898 8.0519 8.0530 8.8152 8.8230 8.9344 8.9380 9.1116 9.1195 9.5738 9.6693 9.8203 9.8949 9.9371 9.9537 12.4455 12.4554 12.5404 12.5459 12.6043 12.6049 14.5293 14.5306 k = 0.0000 0.0000 0.1006 ( 2753 PWs) bands (ev): -46.1783 -46.1783 -22.8703 -22.8701 -22.2193 -22.2193 -22.2066 -22.2065 -14.4690 -14.4689 -6.5767 -6.5767 -5.9101 -5.9100 -5.8794 -5.8791 -1.0037 -0.9987 0.9080 0.9099 0.9279 0.9302 7.7843 7.8156 7.9743 8.0090 8.0597 8.0610 8.8514 8.8594 8.9593 8.9636 9.1208 9.1292 9.6176 9.7163 9.8413 9.9127 9.9582 9.9809 12.4046 12.4142 12.4969 12.5018 12.6005 12.6007 14.5295 14.5307 k = 0.0000 0.0000 0.0880 ( 2761 PWs) bands (ev): -46.1783 -46.1783 -22.8700 -22.8698 -22.2194 -22.2194 -22.2059 -22.2057 -14.4716 -14.4715 -6.5750 -6.5750 -5.9108 -5.9108 -5.8820 -5.8817 -1.0082 -1.0038 0.9037 0.9057 0.9213 0.9230 7.8083 7.8369 7.9961 8.0281 8.0665 8.0681 8.8858 8.8940 8.9823 8.9871 9.1281 9.1367 9.6588 9.7583 9.8612 9.9289 9.9777 10.0050 12.3684 12.3774 12.4570 12.4614 12.5973 12.5973 14.5298 14.5308 k = 0.0000 0.0000 0.0754 ( 2771 PWs) bands (ev): -46.1783 -46.1783 -22.8697 -22.8696 -22.2194 -22.2194 -22.2052 -22.2051 -14.4738 -14.4737 -6.5736 -6.5736 -5.9115 -5.9114 -5.8840 -5.8837 -1.0121 -1.0083 0.8999 0.9019 0.9155 0.9168 7.8277 7.8525 8.0183 8.0465 8.0723 8.0742 8.9181 8.9263 9.0031 9.0080 9.1333 9.1421 9.6972 9.7942 9.8806 9.9433 9.9953 10.0254 12.3371 12.3454 12.4214 12.4253 12.5945 12.5946 14.5300 14.5309 k = 0.0000 0.0000 0.0629 ( 2779 PWs) bands (ev): -46.1784 -46.1784 -22.8695 -22.8694 -22.2195 -22.2195 -22.2046 -22.2045 -14.4757 -14.4757 -6.5727 -6.5727 -5.9120 -5.9120 -5.8855 -5.8852 -1.0155 -1.0122 0.8967 0.8986 0.9106 0.9114 7.8431 7.8636 8.0391 8.0631 8.0774 8.0797 8.9478 8.9559 9.0214 9.0262 9.1364 9.1452 9.7323 9.8223 9.9005 9.9558 10.0105 10.0415 12.3109 12.3182 12.3906 12.3940 12.5921 12.5923 14.5284 14.5301 k = 0.0000 0.0000 0.0503 ( 2779 PWs) bands (ev): -46.1784 -46.1784 -22.8693 -22.8692 -22.2195 -22.2195 -22.2041 -22.2040 -14.4773 -14.4773 -6.5720 -6.5720 -5.9125 -5.9125 -5.8865 -5.8863 -1.0181 -1.0155 0.8940 0.8958 0.9066 0.9071 7.8551 7.8712 8.0572 8.0757 8.0834 8.0848 8.9745 8.9821 9.0369 9.0414 9.1375 9.1460 9.7638 9.8417 9.9209 9.9663 10.0235 10.0530 12.2897 12.2960 12.3650 12.3678 12.5901 12.5904 14.4869 14.4884 k = 0.0000 0.0000 0.0377 ( 2775 PWs) bands (ev): -46.1784 -46.1784 -22.8691 -22.8691 -22.2195 -22.2195 -22.2037 -22.2036 -14.4785 -14.4785 -6.5716 -6.5716 -5.9128 -5.9128 -5.8873 -5.8871 -1.0202 -1.0182 0.8920 0.8934 0.9035 0.9037 7.8642 7.8761 8.0708 8.0813 8.0904 8.0925 8.9976 9.0041 9.0494 9.0533 9.1371 9.1448 9.7913 9.8528 9.9409 9.9743 10.0344 10.0599 12.2737 12.2786 12.3449 12.3471 12.5886 12.5888 14.4537 14.4549 k = 0.0000 0.0000 0.0251 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8690 -22.8690 -22.2196 -22.2196 -22.2034 -22.2034 -14.4794 -14.4794 -6.5713 -6.5713 -5.9131 -5.9131 -5.8877 -5.8876 -1.0216 -1.0202 0.8905 0.8916 0.9013 0.9014 7.8710 7.8788 8.0789 8.0837 8.0968 8.1003 9.0160 9.0211 9.0587 9.0618 9.1360 9.1421 9.8144 9.8566 9.9581 9.9795 10.0434 10.0625 12.2626 12.2660 12.3304 12.3319 12.5875 12.5877 14.4295 14.4303 k = 0.0000 0.0000 0.0126 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8690 -22.8689 -22.2196 -22.2196 -22.2032 -22.2032 -14.4800 -14.4799 -6.5712 -6.5712 -5.9133 -5.9132 -5.8880 -5.8879 -1.0222 -1.0216 0.8898 0.8904 0.9000 0.9000 7.8757 7.8796 8.0829 8.0847 8.1025 8.1048 9.0287 9.0315 9.0647 9.0665 9.1352 9.1388 9.8329 9.8543 9.9709 9.9812 10.0510 10.0613 12.2564 12.2581 12.3218 12.3226 12.5869 12.5870 14.4148 14.4152 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8689 -22.8689 -22.2196 -22.2196 -22.2032 -22.2032 -14.4801 -14.4801 -6.5711 -6.5711 -5.9133 -5.9133 -5.8880 -5.8880 -1.0223 -1.0223 0.8898 0.8898 0.8995 0.8995 7.8785 7.8785 8.0845 8.0845 8.1055 8.1055 9.0342 9.0342 9.0674 9.0674 9.1361 9.1361 9.8462 9.8462 9.9786 9.9786 10.0571 10.0571 12.2549 12.2549 12.3192 12.3192 12.5867 12.5867 14.4100 14.4100 k = 0.0000 0.0000 0.0000 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8689 -22.8689 -22.2196 -22.2196 -22.2032 -22.2032 -14.4801 -14.4801 -6.5711 -6.5711 -5.9133 -5.9133 -5.8880 -5.8880 -1.0223 -1.0223 0.8898 0.8898 0.8995 0.8995 7.8785 7.8785 8.0845 8.0845 8.1055 8.1055 9.0342 9.0342 9.0674 9.0674 9.1361 9.1361 9.8462 9.8462 9.9786 9.9786 10.0571 10.0571 12.2549 12.2549 12.3192 12.3192 12.5867 12.5867 14.4100 14.4100 k =-0.0089 0.0089 0.0000 ( 2779 PWs) bands (ev): -46.1784 -46.1784 -22.8690 -22.8689 -22.2197 -22.2195 -22.2032 -22.2032 -14.4800 -14.4800 -6.5711 -6.5711 -5.9135 -5.9133 -5.8880 -5.8878 -1.0230 -1.0208 0.8888 0.8909 0.9002 0.9003 7.8765 7.8782 8.0810 8.0845 8.1039 8.1050 9.0324 9.0326 9.0637 9.0680 9.1324 9.1357 9.8344 9.8559 9.9645 9.9896 10.0543 10.0574 12.2537 12.2583 12.3192 12.3238 12.5865 12.5888 14.4111 14.4113 k =-0.0179 0.0178 0.0000 ( 2779 PWs) bands (ev): -46.1784 -46.1784 -22.8691 -22.8689 -22.2199 -22.2196 -22.2032 -22.2032 -14.4794 -14.4794 -6.5711 -6.5711 -5.9139 -5.9134 -5.8876 -5.8874 -1.0231 -1.0187 0.8881 0.8920 0.9021 0.9028 7.8721 7.8755 8.0737 8.0809 8.1003 8.1027 9.0273 9.0276 9.0564 9.0649 9.1253 9.1318 9.8202 9.8631 9.9474 9.9976 10.0489 10.0551 12.2549 12.2636 12.3238 12.3325 12.5883 12.5927 14.4147 14.4151 k =-0.0268 0.0267 0.0000 ( 2783 PWs) bands (ev): -46.1784 -46.1784 -22.8693 -22.8690 -22.2201 -22.2197 -22.2033 -22.2032 -14.4786 -14.4785 -6.5711 -6.5711 -5.9144 -5.9136 -5.8870 -5.8867 -1.0224 -1.0159 0.8879 0.8929 0.9051 0.9069 7.8652 7.8703 8.0625 8.0736 8.0950 8.0988 9.0188 9.0193 9.0442 9.0566 9.1167 9.1259 9.8035 9.8674 9.9275 10.0026 10.0409 10.0503 12.2588 12.2708 12.3332 12.3451 12.5920 12.5986 14.4207 14.4212 k =-0.0357 0.0356 0.0000 ( 2783 PWs) bands (ev): -46.1784 -46.1784 -22.8695 -22.8692 -22.2205 -22.2200 -22.2034 -22.2033 -14.4774 -14.4773 -6.5711 -6.5711 -5.9151 -5.9139 -5.8862 -5.8858 -1.0212 -1.0124 0.8881 0.8940 0.9093 0.9125 7.8555 7.8626 8.0475 8.0624 8.0883 8.0935 9.0069 9.0078 9.0260 9.0411 9.1096 9.1199 9.7839 9.8668 9.9067 10.0048 10.0306 10.0433 12.2655 12.2799 12.3469 12.3613 12.5980 12.6066 14.4290 14.4297 k =-0.0446 0.0445 0.0000 ( 2781 PWs) bands (ev): -46.1784 -46.1784 -22.8697 -22.8693 -22.2209 -22.2203 -22.2035 -22.2033 -14.4758 -14.4757 -6.5711 -6.5711 -5.9158 -5.9144 -5.8850 -5.8847 -1.0193 -1.0083 0.8886 0.8952 0.9146 0.9195 7.8430 7.8520 8.0287 8.0474 8.0806 8.0869 8.9915 8.9932 9.0012 9.0181 9.1050 9.1150 9.7613 9.8550 9.8909 10.0038 10.0183 10.0340 12.2751 12.2913 12.3648 12.3809 12.6063 12.6168 14.4395 14.4404 k =-0.0536 0.0534 0.0000 ( 2777 PWs) bands (ev): -46.1783 -46.1783 -22.8699 -22.8695 -22.2213 -22.2206 -22.2036 -22.2034 -14.4739 -14.4739 -6.5711 -6.5711 -5.9167 -5.9148 -5.8837 -5.8833 -1.0168 -1.0036 0.8894 0.8966 0.9210 0.9277 7.8273 7.8385 8.0065 8.0290 8.0717 8.0790 8.9704 8.9716 8.9756 8.9899 9.1026 9.1114 9.7355 9.8290 9.8830 9.9973 10.0064 10.0227 12.2877 12.3050 12.3863 12.4035 12.6172 12.6295 14.4522 14.4532 k =-0.0625 0.0623 0.0000 ( 2777 PWs) bands (ev): -46.1783 -46.1783 -22.8703 -22.8697 -22.2219 -22.2210 -22.2038 -22.2035 -14.4717 -14.4716 -6.5711 -6.5710 -5.9176 -5.9153 -5.8820 -5.8818 -1.0137 -0.9984 0.8904 0.8983 0.9286 0.9369 7.8081 7.8215 7.9812 8.0074 8.0619 8.0699 8.9346 8.9440 8.9551 8.9617 9.1015 9.1090 9.7064 9.7953 9.8766 9.9823 9.9981 10.0095 12.3032 12.3212 12.4111 12.4290 12.6308 12.6447 14.4668 14.4679 k =-0.0714 0.0713 0.0000 ( 2781 PWs) bands (ev): -46.1783 -46.1783 -22.8706 -22.8701 -22.2225 -22.2216 -22.2040 -22.2036 -14.4692 -14.4691 -6.5711 -6.5710 -5.9185 -5.9157 -5.8802 -5.8801 -1.0102 -0.9926 0.8916 0.9002 0.9372 0.9472 7.7854 7.8009 7.9533 7.9828 8.0512 8.0599 8.8948 8.9077 8.9321 8.9358 9.1011 9.1075 9.6742 9.7570 9.8686 9.9632 9.9892 9.9944 12.3215 12.3399 12.4388 12.4571 12.6473 12.6626 14.4832 14.4844 k =-0.0804 0.0802 0.0000 ( 2789 PWs) bands (ev): -46.1783 -46.1783 -22.8711 -22.8704 -22.2233 -22.2222 -22.2042 -22.2038 -14.4664 -14.4663 -6.5710 -6.5709 -5.9194 -5.9161 -5.8782 -5.8781 -1.0063 -0.9865 0.8930 0.9023 0.9467 0.9585 7.7587 7.7761 7.9231 7.9557 8.0397 8.0489 8.8518 8.8667 8.9065 8.9094 9.1014 9.1068 9.6389 9.7152 9.8584 9.9417 9.9776 9.9782 12.3425 12.3612 12.4692 12.4877 12.6668 12.6834 14.5013 14.5026 k =-0.0893 0.0891 0.0000 ( 2787 PWs) bands (ev): -46.1783 -46.1783 -22.8715 -22.8708 -22.2240 -22.2228 -22.2044 -22.2040 -14.4633 -14.4631 -6.5710 -6.5708 -5.9202 -5.9165 -5.8761 -5.8757 -1.0019 -0.9799 0.8945 0.9047 0.9571 0.9705 7.7282 7.7470 7.8910 7.9260 8.0277 8.0373 8.8066 8.8231 8.8788 8.8812 9.1021 9.1066 9.6008 9.6704 9.8457 9.9183 9.9594 9.9651 12.3662 12.3849 12.5019 12.5205 12.6893 12.7069 14.5208 14.5221 k =-0.0982 0.0980 0.0000 ( 2775 PWs) bands (ev): -46.1782 -46.1782 -22.8719 -22.8712 -22.2248 -22.2235 -22.2046 -22.2041 -14.4599 -14.4597 -6.5709 -6.5706 -5.9210 -5.9167 -5.8737 -5.8731 -0.9972 -0.9730 0.8962 0.9073 0.9681 0.9832 7.6937 7.7134 7.8573 7.8940 8.0152 8.0251 8.7596 8.7778 8.8490 8.8512 9.1031 9.1070 9.5604 9.6232 9.8306 9.8932 9.9399 9.9501 12.3924 12.4111 12.5367 12.5553 12.7148 12.7333 14.5415 14.5430 k =-0.1071 0.1069 0.0000 ( 2771 PWs) bands (ev): -46.1782 -46.1782 -22.8725 -22.8716 -22.2257 -22.2243 -22.2048 -22.2043 -14.4562 -14.4561 -6.5707 -6.5703 -5.9216 -5.9169 -5.8712 -5.8702 -0.9923 -0.9659 0.8980 0.9101 0.9798 0.9964 7.6556 7.6756 7.8220 7.8596 8.0024 8.0125 8.7113 8.7312 8.8174 8.8195 9.1043 9.1077 9.5178 9.5740 9.8133 9.8665 9.9195 9.9335 12.4209 12.4396 12.5734 12.5919 12.7432 12.7624 14.5634 14.5649 k =-0.1161 0.1158 0.0000 ( 2771 PWs) bands (ev): -46.1782 -46.1782 -22.8730 -22.8721 -22.2266 -22.2251 -22.2050 -22.2045 -14.4523 -14.4522 -6.5705 -6.5700 -5.9222 -5.9170 -5.8684 -5.8671 -0.9871 -0.9585 0.9000 0.9131 0.9920 1.0100 7.6140 7.6338 7.7852 7.8229 7.9893 7.9996 8.6622 8.6839 8.7842 8.7862 9.1057 9.1087 9.4736 9.5233 9.7938 9.8384 9.8985 9.9157 12.4517 12.4703 12.6117 12.6301 12.7744 12.7942 14.5862 14.5877 k =-0.1250 0.1247 0.0000 ( 2771 PWs) bands (ev): -46.1781 -46.1781 -22.8736 -22.8726 -22.2277 -22.2260 -22.2053 -22.2048 -14.4482 -14.4480 -6.5701 -6.5695 -5.9226 -5.9170 -5.8654 -5.8638 -0.9818 -0.9510 0.9020 0.9163 1.0045 1.0239 7.5695 7.5885 7.7466 7.7839 7.9761 7.9865 8.6124 8.6359 8.7496 8.7515 9.1071 9.1097 9.4283 9.4718 9.7723 9.8090 9.8774 9.8973 12.4846 12.5030 12.6514 12.6696 12.8083 12.8285 14.6098 14.6113 k =-0.1339 0.1336 0.0000 ( 2769 PWs) bands (ev): -46.1781 -46.1781 -22.8742 -22.8732 -22.2287 -22.2270 -22.2056 -22.2050 -14.4438 -14.4437 -6.5697 -6.5689 -5.9229 -5.9168 -5.8621 -5.8602 -0.9765 -0.9435 0.9041 0.9197 1.0171 1.0378 7.5222 7.5403 7.7063 7.7427 7.9628 7.9732 8.5623 8.5874 8.7138 8.7157 9.1080 9.1104 9.3826 9.4204 9.7488 9.7785 9.8567 9.8786 12.5194 12.5376 12.6923 12.7103 12.8446 12.8650 14.6339 14.6355 k =-0.1429 0.1425 0.0000 ( 2763 PWs) bands (ev): -46.1780 -46.1780 -22.8748 -22.8737 -22.2298 -22.2280 -22.2058 -22.2053 -14.4393 -14.4391 -6.5690 -6.5680 -5.9231 -5.9166 -5.8586 -5.8564 -0.9710 -0.9359 0.9063 0.9233 1.0298 1.0517 7.4728 7.4898 7.6641 7.6992 7.9494 7.9599 8.5118 8.5383 8.6770 8.6788 9.1079 9.1103 9.3377 9.3700 9.7233 9.7469 9.8370 9.8601 12.5559 12.5740 12.7342 12.7520 12.8831 12.9037 14.6585 14.6600 k =-0.1518 0.1514 0.0000 ( 2759 PWs) bands (ev): -46.1780 -46.1780 -22.8755 -22.8744 -22.2309 -22.2291 -22.2061 -22.2055 -14.4346 -14.4344 -6.5682 -6.5670 -5.9231 -5.9162 -5.8549 -5.8524 -0.9657 -0.9284 0.9086 0.9271 1.0423 1.0653 7.4217 7.4374 7.6202 7.6537 7.9359 7.9465 8.4609 8.4887 8.6393 8.6411 9.1057 9.1079 9.2952 9.3225 9.6959 9.7143 9.8187 9.8424 12.5941 12.6120 12.7768 12.7945 12.9237 12.9443 14.6834 14.6849 k =-0.1607 0.1603 0.0000 ( 2759 PWs) bands (ev): -46.1779 -46.1779 -22.8762 -22.8750 -22.2321 -22.2302 -22.2064 -22.2058 -14.4297 -14.4295 -6.5671 -6.5657 -5.9229 -5.9157 -5.8510 -5.8481 -0.9603 -0.9210 0.9108 0.9311 1.0546 1.0784 7.3691 7.3837 7.5744 7.6064 7.9224 7.9330 8.4096 8.4385 8.6010 8.6028 9.0993 9.1013 9.2578 9.2803 9.6665 9.6808 9.8021 9.8259 12.6338 12.6515 12.8201 12.8376 12.9660 12.9865 14.7084 14.7099 k =-0.1696 0.1692 0.0000 ( 2761 PWs) bands (ev): -46.1779 -46.1779 -22.8769 -22.8757 -22.2334 -22.2313 -22.2067 -22.2061 -14.4247 -14.4245 -6.5657 -6.5641 -5.9226 -5.9151 -5.8468 -5.8436 -0.9552 -0.9138 0.9131 0.9352 1.0664 1.0910 7.3156 7.3290 7.5271 7.5573 7.9087 7.9195 8.3579 8.3873 8.5623 8.5640 9.0858 9.0870 9.2293 9.2472 9.6353 9.6465 9.7877 9.8109 12.6749 12.6923 12.8639 12.8811 13.0099 13.0303 14.7335 14.7349 k =-0.1786 0.1781 0.0000 ( 2756 PWs) bands (ev): -46.1779 -46.1779 -22.8776 -22.8764 -22.2346 -22.2325 -22.2071 -22.2064 -14.4196 -14.4194 -6.5640 -6.5622 -5.9221 -5.9145 -5.8425 -5.8390 -0.9501 -0.9068 0.9153 0.9394 1.0778 1.1029 7.2615 7.2738 7.4784 7.5069 7.8949 7.9060 8.3055 8.3351 8.5232 8.5248 9.0631 9.0634 9.2122 9.2257 9.6026 9.6113 9.7755 9.7977 12.7171 12.7344 12.9078 12.9249 13.0551 13.0752 14.7584 14.7598 k =-0.1875 0.1870 0.0000 ( 2752 PWs) bands (ev): -46.1778 -46.1778 -22.8784 -22.8771 -22.2359 -22.2337 -22.2074 -22.2067 -14.4143 -14.4142 -6.5618 -6.5598 -5.9216 -5.9137 -5.8380 -5.8343 -0.9453 -0.9000 0.9174 0.9438 1.0885 1.1138 7.2070 7.2185 7.4285 7.4552 7.8809 7.8924 8.2523 8.2816 8.4839 8.4855 9.0322 9.0325 9.2051 9.2153 9.5685 9.5753 9.7657 9.7866 12.7603 12.7774 12.9520 12.9689 13.1015 13.1213 14.7832 14.7845 k =-0.1964 0.1960 0.0000 ( 2752 PWs) bands (ev): -46.1778 -46.1778 -22.8792 -22.8778 -22.2372 -22.2349 -22.2077 -22.2071 -14.4090 -14.4089 -6.5593 -6.5570 -5.9209 -5.9129 -5.8333 -5.8294 -0.9407 -0.8936 0.9195 0.9482 1.0985 1.1238 7.1526 7.1632 7.3776 7.4025 7.8668 7.8789 8.1982 8.2267 8.4446 8.4461 8.9978 8.9981 9.2045 9.2123 9.5332 9.5387 9.7583 9.7776 12.8044 12.8214 12.9960 13.0128 13.1488 13.1682 14.8076 14.8088 k =-0.2054 0.2049 0.0000 ( 2744 PWs) bands (ev): -46.1777 -46.1777 -22.8799 -22.8785 -22.2385 -22.2362 -22.2081 -22.2074 -14.4037 -14.4035 -6.5563 -6.5537 -5.9200 -5.9120 -5.8286 -5.8244 -0.9364 -0.8875 0.9213 0.9527 1.1076 1.1326 7.0984 7.1082 7.3259 7.3492 7.8525 7.8653 8.1431 8.1701 8.4054 8.4069 8.9632 8.9635 9.2076 9.2139 9.4971 9.5015 9.7532 9.7710 12.8493 12.8661 13.0400 13.0566 13.1968 13.2158 14.8317 14.8328 k =-0.2143 0.2138 0.0000 ( 2750 PWs) bands (ev): -46.1776 -46.1776 -22.8807 -22.8793 -22.2398 -22.2375 -22.2084 -22.2077 -14.3983 -14.3981 -6.5527 -6.5498 -5.9191 -5.9111 -5.8238 -5.8195 -0.9324 -0.8818 0.9230 0.9572 1.1159 1.1402 7.0446 7.0539 7.2737 7.2953 7.8378 7.8518 8.0870 8.1117 8.3664 8.3679 8.9306 8.9309 9.2130 9.2182 9.4601 9.4639 9.7506 9.7667 12.8947 12.9114 13.0836 13.1001 13.2453 13.2639 14.8552 14.8563 k =-0.2232 0.2227 0.0000 ( 2750 PWs) bands (ev): -46.1776 -46.1776 -22.8815 -22.8801 -22.2412 -22.2388 -22.2088 -22.2080 -14.3929 -14.3927 -6.5486 -6.5454 -5.9181 -5.9102 -5.8190 -5.8146 -0.9287 -0.8766 0.9245 0.9618 1.1232 1.1465 6.9915 7.0002 7.2212 7.2412 7.8225 7.8383 8.0301 8.0515 8.3278 8.3292 8.9013 8.9017 9.2197 9.2241 9.4227 9.4259 9.7502 9.7648 12.9406 12.9572 13.1268 13.1433 13.2942 13.3124 14.8783 14.8793 k =-0.2321 0.2316 0.0000 ( 2750 PWs) bands (ev): -46.1775 -46.1775 -22.8824 -22.8809 -22.2426 -22.2402 -22.2091 -22.2084 -14.3875 -14.3873 -6.5438 -6.5403 -5.9170 -5.9092 -5.8143 -5.8097 -0.9254 -0.8717 0.9256 0.9662 1.1297 1.1516 6.9391 6.9475 7.1686 7.1871 7.8062 7.8248 7.9729 7.9897 8.2896 8.2909 8.8760 8.8769 9.2272 9.2310 9.3849 9.3879 9.7521 9.7651 12.9869 13.0034 13.1696 13.1859 13.3434 13.3610 14.9007 14.9017 k =-0.2411 0.2405 0.0000 ( 2754 PWs) bands (ev): -46.1775 -46.1775 -22.8832 -22.8817 -22.2439 -22.2416 -22.2095 -22.2087 -14.3821 -14.3819 -6.5384 -6.5346 -5.9158 -5.9082 -5.8096 -5.8050 -0.9224 -0.8674 0.9264 0.9706 1.1352 1.1553 6.8878 6.8957 7.1161 7.1332 7.7876 7.8114 7.9166 7.9263 8.2519 8.2532 8.8554 8.8570 9.2349 9.2383 9.3473 9.3501 9.7561 9.7676 13.0332 13.0497 13.2117 13.2280 13.3925 13.4097 14.9225 14.9234 k =-0.2500 0.2494 0.0000 ( 2750 PWs) bands (ev): -46.1774 -46.1774 -22.8840 -22.8825 -22.2453 -22.2429 -22.2098 -22.2091 -14.3768 -14.3766 -6.5323 -6.5282 -5.9146 -5.9072 -5.8052 -5.8005 -0.9197 -0.8636 0.9267 0.9749 1.1399 1.1577 6.8374 6.8451 7.0640 7.0796 7.7639 7.7979 7.8616 7.8644 8.2149 8.2162 8.8397 8.8422 9.2418 9.2449 9.3107 9.3136 9.7622 9.7723 13.0796 13.0960 13.2531 13.2694 13.4416 13.4582 14.9436 14.9444 k =-0.2589 0.2583 0.0000 ( 2754 PWs) bands (ev): -46.1774 -46.1774 -22.8848 -22.8833 -22.2467 -22.2443 -22.2101 -22.2094 -14.3715 -14.3713 -6.5254 -6.5211 -5.9132 -5.9062 -5.8009 -5.7963 -0.9174 -0.8603 0.9266 0.9789 1.1438 1.1589 6.7883 6.7957 7.0123 7.0266 7.7295 7.7825 7.7979 7.8218 8.1786 8.1798 8.8291 8.8326 9.2426 9.2454 9.2805 9.2836 9.7701 9.7789 13.1259 13.1423 13.2937 13.3100 13.4904 13.5064 14.9639 14.9646 k =-0.2679 0.2672 0.0000 ( 2746 PWs) bands (ev): -46.1773 -46.1773 -22.8856 -22.8841 -22.2480 -22.2456 -22.2104 -22.2097 -14.3663 -14.3661 -6.5179 -6.5132 -5.9119 -5.9052 -5.7970 -5.7924 -0.9155 -0.8575 0.9260 0.9826 1.1470 1.1589 6.7403 6.7476 6.9613 6.9744 7.6816 7.7275 7.7732 7.7923 8.1431 8.1443 8.8237 8.8283 9.2218 9.2225 9.2743 9.2757 9.7798 9.7873 13.1719 13.1883 13.3334 13.3497 13.5387 13.5542 14.9835 14.9841 k =-0.2768 0.2761 0.0000 ( 2744 PWs) bands (ev): -46.1773 -46.1773 -22.8864 -22.8849 -22.2493 -22.2469 -22.2108 -22.2100 -14.3612 -14.3610 -6.5095 -6.5045 -5.9105 -5.9042 -5.7934 -5.7888 -0.9139 -0.8552 0.9248 0.9858 1.1496 1.1580 6.6937 6.7008 6.9112 6.9230 7.6247 7.6607 7.7599 7.7714 8.1084 8.1096 8.8235 8.8291 9.1874 9.1877 9.2806 9.2815 9.7911 9.7975 13.2176 13.2339 13.3722 13.3886 13.5866 13.6015 15.0022 15.0028 k =-0.2857 0.2850 0.0000 ( 2744 PWs) bands (ev): -46.1772 -46.1772 -22.8871 -22.8857 -22.2506 -22.2483 -22.2111 -22.2104 -14.3562 -14.3560 -6.5004 -6.4951 -5.9090 -5.9033 -5.7902 -5.7857 -0.9127 -0.8535 0.9229 0.9886 1.1517 1.1562 6.6483 6.6553 6.8621 6.8728 7.5637 7.5934 7.7472 7.7546 8.0747 8.0759 8.8282 8.8349 9.1507 9.1513 9.2891 9.2902 9.8039 9.8092 13.2626 13.2791 13.4099 13.4264 13.6337 13.6481 15.0201 15.0206 k =-0.2946 0.2939 0.0000 ( 2746 PWs) bands (ev): -46.1772 -46.1772 -22.8879 -22.8865 -22.2519 -22.2496 -22.2114 -22.2107 -14.3513 -14.3511 -6.4905 -6.4849 -5.9076 -5.9024 -5.7875 -5.7832 -0.9118 -0.8523 0.9205 0.9906 1.1534 1.1538 6.6044 6.6112 6.8142 6.8238 7.5010 7.5262 7.7348 7.7399 8.0419 8.0431 8.8377 8.8454 9.1139 9.1147 9.2983 9.2997 9.8179 9.8222 13.3070 13.3235 13.4466 13.4632 13.6800 13.6938 15.0372 15.0376 k =-0.3036 0.3028 0.0000 ( 2754 PWs) bands (ev): -46.1771 -46.1771 -22.8887 -22.8873 -22.2532 -22.2509 -22.2117 -22.2110 -14.3465 -14.3463 -6.4799 -6.4739 -5.9061 -5.9015 -5.7854 -5.7812 -0.9112 -0.8517 0.9174 0.9917 1.1511 1.1548 6.5619 6.5684 6.7677 6.7762 7.4377 7.4595 7.7227 7.7263 8.0102 8.0114 8.8516 8.8602 9.0776 9.0784 9.3076 9.3095 9.8330 9.8364 13.3506 13.3672 13.4822 13.4989 13.7253 13.7385 15.0534 15.0538 k =-0.3125 0.3117 0.0000 ( 2752 PWs) bands (ev): -46.1771 -46.1771 -22.8895 -22.8881 -22.2544 -22.2522 -22.2120 -22.2113 -14.3419 -14.3417 -6.4685 -6.4622 -5.9045 -5.9006 -5.7838 -5.7798 -0.9109 -0.8516 0.9136 0.9919 1.1482 1.1560 6.5208 6.5271 6.7228 6.7301 7.3747 7.3936 7.7109 7.7136 7.9795 7.9807 8.8697 8.8792 9.0419 9.0428 9.3171 9.3194 9.8490 9.8516 13.3932 13.4100 13.5165 13.5335 13.7695 13.7821 15.0688 15.0691 k =-0.3214 0.3207 0.0000 ( 2748 PWs) bands (ev): -46.1770 -46.1770 -22.8901 -22.8888 -22.2556 -22.2534 -22.2123 -22.2116 -14.3374 -14.3373 -6.4564 -6.4498 -5.9030 -5.8998 -5.7828 -5.7791 -0.9109 -0.8520 0.9092 0.9908 1.1455 1.1571 6.4812 6.4872 6.6796 6.6858 7.3122 7.3287 7.6995 7.7015 7.9500 7.9512 8.8916 8.9018 9.0071 9.0080 9.3267 9.3293 9.8658 9.8676 13.4347 13.4518 13.5497 13.5668 13.8124 13.8245 15.0833 15.0835 k =-0.3304 0.3296 0.0000 ( 2748 PWs) bands (ev): -46.1770 -46.1770 -22.8908 -22.8895 -22.2568 -22.2546 -22.2126 -22.2119 -14.3331 -14.3330 -6.4435 -6.4367 -5.9015 -5.8990 -5.7825 -5.7791 -0.9111 -0.8529 0.9043 0.9885 1.1432 1.1582 6.4430 6.4487 6.6382 6.6434 7.2508 7.2651 7.6884 7.6900 7.9217 7.9228 8.9165 8.9275 8.9733 8.9745 9.3362 9.3393 9.8831 9.8843 13.4750 13.4923 13.5816 13.5990 13.8540 13.8655 15.0969 15.0971 k =-0.3393 0.3385 0.0000 ( 2740 PWs) bands (ev): -46.1769 -46.1769 -22.8915 -22.8902 -22.2579 -22.2558 -22.2128 -22.2122 -14.3290 -14.3289 -6.4300 -6.4229 -5.8999 -5.8983 -5.7829 -5.7799 -0.9115 -0.8542 0.8989 0.9847 1.1416 1.1593 6.4063 6.4116 6.5989 6.6030 7.1907 7.2031 7.6777 7.6790 7.8945 7.8957 8.9358 8.9391 8.9507 8.9576 9.3457 9.3492 9.9008 9.9014 13.5140 13.5315 13.6122 13.6299 13.8941 13.9049 15.1097 15.1098 k =-0.3482 0.3474 0.0000 ( 2740 PWs) bands (ev): -46.1769 -46.1769 -22.8921 -22.8909 -22.2589 -22.2569 -22.2130 -22.2124 -14.3251 -14.3249 -6.4159 -6.4085 -5.8984 -5.8977 -5.7840 -5.7814 -0.9121 -0.8560 0.8932 0.9796 1.1406 1.1604 6.3711 6.3760 6.5618 6.5648 7.1322 7.1429 7.6675 7.6685 7.8685 7.8697 8.9082 8.9083 8.9772 8.9880 9.3551 9.3590 9.9186 9.9188 13.5514 13.5692 13.6415 13.6595 13.9326 13.9428 15.1216 15.1217 k =-0.3571 0.3563 0.0000 ( 2746 PWs) bands (ev): -46.1768 -46.1768 -22.8928 -22.8916 -22.2600 -22.2581 -22.2133 -22.2127 -14.3213 -14.3212 -6.4013 -6.3936 -5.8971 -5.8969 -5.7859 -5.7838 -0.9128 -0.8582 0.8871 0.9732 1.1404 1.1616 6.3373 6.3418 6.5269 6.5289 7.0755 7.0846 7.6577 7.6586 7.8438 7.8450 8.8779 8.8782 9.0096 9.0209 9.3644 9.3687 9.9362 9.9365 13.5872 13.6053 13.6695 13.6878 13.9693 13.9790 15.1327 15.1328 k =-0.3661 0.3652 0.0000 ( 2752 PWs) bands (ev): -46.1768 -46.1768 -22.8934 -22.8923 -22.2610 -22.2592 -22.2135 -22.2130 -14.3178 -14.3177 -6.3862 -6.3783 -5.8966 -5.8953 -5.7885 -5.7870 -0.9136 -0.8607 0.8809 0.9656 1.1409 1.1629 6.3051 6.3090 6.4945 6.4954 7.0208 7.0285 7.6484 7.6493 7.8203 7.8215 8.8489 8.8493 9.0436 9.0552 9.3737 9.3783 9.9536 9.9543 13.6212 13.6395 13.6962 13.7148 14.0042 14.0133 15.1430 15.1430 k =-0.3750 0.3741 0.0000 ( 2742 PWs) bands (ev): -46.1768 -46.1768 -22.8939 -22.8928 -22.2619 -22.2601 -22.2137 -22.2132 -14.3145 -14.3144 -6.3706 -6.3626 -5.8961 -5.8938 -5.7918 -5.7909 -0.9144 -0.8636 0.8747 0.9572 1.1421 1.1643 6.2744 6.2778 6.4645 6.4645 6.9684 6.9748 7.6397 7.6405 7.7981 7.7993 8.8213 8.8218 9.0786 9.0903 9.3829 9.3878 9.9708 9.9717 13.6533 13.6718 13.7217 13.7404 14.0372 14.0457 15.1525 15.1525 k =-0.3839 0.3830 0.0000 ( 2740 PWs) bands (ev): -46.1767 -46.1767 -22.8944 -22.8934 -22.2627 -22.2611 -22.2139 -22.2134 -14.3113 -14.3112 -6.3548 -6.3466 -5.8958 -5.8922 -5.7958 -5.7957 -0.9152 -0.8667 0.8686 0.9480 1.1438 1.1656 6.2453 6.2481 6.4361 6.4371 6.9183 6.9236 7.6316 7.6324 7.7772 7.7784 8.7953 8.7958 9.1138 9.1255 9.3921 9.3973 9.9875 9.9887 13.6834 13.7019 13.7460 13.7647 14.0681 14.0760 15.1611 15.1612 k =-0.3929 0.3919 0.0000 ( 2742 PWs) bands (ev): -46.1767 -46.1767 -22.8949 -22.8940 -22.2635 -22.2620 -22.2141 -22.2137 -14.3084 -14.3083 -6.3388 -6.3305 -5.8955 -5.8907 -5.8012 -5.8005 -0.9160 -0.8701 0.8628 0.9383 1.1459 1.1670 6.2178 6.2201 6.4105 6.4123 6.8709 6.8751 7.6241 7.6249 7.7576 7.7588 8.7710 8.7714 9.1487 9.1603 9.4013 9.4067 10.0037 10.0051 13.7114 13.7296 13.7692 13.7877 14.0970 14.1043 15.1690 15.1691 k =-0.4018 0.4008 0.0000 ( 2748 PWs) bands (ev): -46.1767 -46.1767 -22.8954 -22.8945 -22.2643 -22.2629 -22.2143 -22.2139 -14.3058 -14.3057 -6.3228 -6.3144 -5.8953 -5.8891 -5.8074 -5.8057 -0.9167 -0.8736 0.8572 0.9283 1.1483 1.1683 6.1920 6.1938 6.3875 6.3900 6.8262 6.8294 7.6173 7.6180 7.7393 7.7405 8.7483 8.7487 9.1826 9.1941 9.4106 9.4163 10.0192 10.0207 13.7371 13.7546 13.7915 13.8092 14.1236 14.1303 15.1762 15.1763 k =-0.4107 0.4097 0.0000 ( 2748 PWs) bands (ev): -46.1766 -46.1766 -22.8958 -22.8950 -22.2650 -22.2636 -22.2145 -22.2141 -14.3033 -14.3032 -6.3069 -6.2985 -5.8952 -5.8876 -5.8143 -5.8114 -0.9173 -0.8773 0.8522 0.9183 1.1509 1.1696 6.1680 6.1694 6.3672 6.3702 6.7844 6.7868 7.6111 7.6119 7.7223 7.7235 8.7274 8.7278 9.2150 9.2261 9.4201 9.4259 10.0339 10.0354 13.7606 13.7770 13.8128 13.8293 14.1481 14.1542 15.1826 15.1827 k =-0.4196 0.4186 0.0000 ( 2748 PWs) bands (ev): -46.1766 -46.1766 -22.8962 -22.8954 -22.2656 -22.2644 -22.2146 -22.2142 -14.3011 -14.3010 -6.2912 -6.2829 -5.8952 -5.8860 -5.8217 -5.8175 -0.9178 -0.8811 0.8477 0.9083 1.1536 1.1708 6.1459 6.1469 6.3495 6.3530 6.7457 6.7473 7.6057 7.6065 7.7066 7.7078 8.7083 8.7087 9.2451 9.2557 9.4300 9.4358 10.0476 10.0491 13.7818 13.7966 13.8329 13.8479 14.1703 14.1758 15.1883 15.1885 k =-0.4286 0.4275 0.0000 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8965 -22.8959 -22.2662 -22.2651 -22.2147 -22.2144 -14.2991 -14.2990 -6.2760 -6.2679 -5.8952 -5.8843 -5.8295 -5.8238 -0.9180 -0.8848 0.8438 0.8987 1.1563 1.1718 6.1258 6.1265 6.3343 6.3381 6.7103 6.7113 7.6011 7.6019 7.6923 7.6935 8.6911 8.6914 9.2724 9.2824 9.4404 9.4459 10.0602 10.0617 13.8006 13.8136 13.8518 13.8649 14.1902 14.1951 15.1934 15.1935 k =-0.4375 0.4364 0.0000 ( 2750 PWs) bands (ev): -46.1766 -46.1766 -22.8968 -22.8962 -22.2666 -22.2656 -22.2148 -22.2146 -14.2973 -14.2972 -6.2614 -6.2537 -5.8952 -5.8827 -5.8376 -5.8302 -0.9181 -0.8885 0.8407 0.8894 1.1590 1.1727 6.1077 6.1081 6.3216 6.3254 6.6783 6.6787 7.5972 7.5980 7.6794 7.6806 8.6758 8.6761 9.2964 9.3055 9.4511 9.4563 10.0716 10.0730 13.8171 13.8282 13.8690 13.8802 14.2078 14.2121 15.1978 15.1980 k =-0.4464 0.4454 0.0000 ( 2746 PWs) bands (ev): -46.1765 -46.1765 -22.8970 -22.8965 -22.2670 -22.2662 -22.2149 -22.2147 -14.2958 -14.2957 -6.2478 -6.2406 -5.8951 -5.8809 -5.8458 -5.8366 -0.9178 -0.8922 0.8384 0.8806 1.1615 1.1734 6.0918 6.0921 6.3112 6.3149 6.6499 6.6499 7.5941 7.5949 7.6679 7.6690 8.6625 8.6628 9.3168 9.3247 9.4622 9.4668 10.0817 10.0830 13.8314 13.8406 13.8844 13.8937 14.2231 14.2268 15.2016 15.2017 k =-0.4554 0.4543 0.0000 ( 2744 PWs) bands (ev): -46.1765 -46.1765 -22.8972 -22.8968 -22.2673 -22.2666 -22.2150 -22.2148 -14.2945 -14.2944 -6.2354 -6.2289 -5.8949 -5.8791 -5.8540 -5.8427 -0.9173 -0.8957 0.8369 0.8724 1.1639 1.1739 6.0782 6.0783 6.3029 6.3064 6.6251 6.6254 7.5918 7.5925 7.6579 7.6589 8.6512 8.6514 9.3335 9.3401 9.4732 9.4771 10.0905 10.0916 13.8434 13.8508 13.8978 13.9053 14.2361 14.2392 15.2048 15.2049 k =-0.4643 0.4632 0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8973 -22.8970 -22.2675 -22.2670 -22.2150 -22.2148 -14.2934 -14.2933 -6.2244 -6.2188 -5.8944 -5.8770 -5.8618 -5.8485 -0.9165 -0.8991 0.8363 0.8650 1.1661 1.1741 6.0670 6.0670 6.2966 6.2997 6.6044 6.6048 7.5901 7.5908 7.6494 7.6503 8.6419 8.6421 9.3466 9.3519 9.4836 9.4866 10.0977 10.0987 13.8533 13.8590 13.9090 13.9148 14.2467 14.2492 15.2074 15.2075 k =-0.4732 0.4721 0.0000 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8972 -22.2677 -22.2673 -22.2150 -22.2149 -14.2925 -14.2925 -6.2152 -6.2108 -5.8934 -5.8748 -5.8691 -5.8538 -0.9154 -0.9022 0.8367 0.8583 1.1680 1.1741 6.0581 6.0581 6.2921 6.2946 6.5881 6.5885 7.5891 7.5897 7.6426 7.6433 8.6347 8.6348 9.3565 9.3604 9.4926 9.4947 10.1035 10.1042 13.8610 13.8652 13.9179 13.9221 14.2550 14.2569 15.2094 15.2095 k =-0.4821 0.4810 0.0000 ( 2742 PWs) bands (ev): -46.1765 -46.1765 -22.8976 -22.8974 -22.2679 -22.2676 -22.2151 -22.2150 -14.2920 -14.2919 -6.2082 -6.2051 -5.8918 -5.8757 -5.8724 -5.8586 -0.9140 -0.9052 0.8379 0.8524 1.1697 1.1738 6.0517 6.0518 6.2892 6.2910 6.5763 6.5766 7.5885 7.5890 7.6376 7.6381 8.6295 8.6296 9.3634 9.3659 9.4996 9.5010 10.1077 10.1082 13.8667 13.8695 13.9245 13.9273 14.2611 14.2623 15.2108 15.2109 k =-0.4911 0.4899 0.0000 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8976 -22.8975 -22.2679 -22.2677 -22.2151 -22.2150 -14.2916 -14.2916 -6.2035 -6.2019 -5.8893 -5.8813 -5.8696 -5.8628 -0.9123 -0.9078 0.8401 0.8474 1.1712 1.1732 6.0479 6.0479 6.2877 6.2886 6.5692 6.5694 7.5884 7.5886 7.6346 7.6349 8.6264 8.6264 9.3677 9.3689 9.5041 9.5048 10.1102 10.1105 13.8704 13.8717 13.9287 13.9301 14.2648 14.2654 15.2117 15.2117 k =-0.5000 0.4988 0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0466 6.0466 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3695 9.3695 9.5059 9.5059 10.1112 10.1112 13.8721 13.8721 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k =-0.5000 0.4988 0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0466 6.0466 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3695 9.3695 9.5059 9.5059 10.1112 10.1112 13.8721 13.8721 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k =-0.4988 0.5000-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0467 6.0467 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3694 9.3694 9.5058 9.5058 10.1112 10.1112 13.8720 13.8720 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k =-0.4988 0.5000-0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0467 6.0467 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3694 9.3694 9.5058 9.5058 10.1112 10.1112 13.8720 13.8720 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k =-0.4988 0.5000 0.0126 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8976 -22.8975 -22.2678 -22.2678 -22.2152 -22.2151 -14.2914 -14.2914 -6.2006 -6.2005 -5.8856 -5.8855 -5.8663 -5.8661 -0.9119 -0.9106 0.8421 0.8421 1.1694 1.1710 6.0465 6.0470 6.2903 6.2906 6.5669 6.5669 7.5892 7.5892 7.6342 7.6348 8.6204 8.6207 9.3705 9.3706 9.5063 9.5067 10.1113 10.1113 13.8722 13.8730 13.9314 13.9316 14.2666 14.2667 15.2169 15.2176 k =-0.4988 0.5000 0.0251 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8976 -22.8976 -22.2678 -22.2678 -22.2154 -22.2153 -14.2911 -14.2911 -6.1982 -6.1980 -5.8848 -5.8846 -5.8657 -5.8653 -0.9157 -0.9132 0.8385 0.8385 1.1623 1.1654 6.0467 6.0476 6.2988 6.2994 6.5670 6.5670 7.5915 7.5916 7.6366 7.6376 8.6060 8.6066 9.3738 9.3739 9.5081 9.5088 10.1116 10.1116 13.8736 13.8751 13.9339 13.9344 14.2675 14.2677 15.2324 15.2337 k =-0.4988 0.5000 0.0377 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8977 -22.8976 -22.2678 -22.2678 -22.2156 -22.2155 -14.2906 -14.2905 -6.1943 -6.1939 -5.8835 -5.8831 -5.8646 -5.8641 -0.9216 -0.9179 0.8325 0.8326 1.1512 1.1557 6.0470 6.0484 6.3130 6.3139 6.5670 6.5670 7.5953 7.5953 7.6407 7.6421 8.5823 8.5831 9.3793 9.3794 9.5113 9.5123 10.1122 10.1122 13.8762 13.8784 13.9383 13.9389 14.2692 14.2695 15.2581 15.2600 k =-0.4988 0.5000 0.0503 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8979 -22.8978 -22.2677 -22.2677 -22.2161 -22.2159 -14.2898 -14.2898 -6.1887 -6.1882 -5.8817 -5.8811 -5.8631 -5.8624 -0.9295 -0.9246 0.8242 0.8243 1.1360 1.1420 6.0476 6.0493 6.3327 6.3340 6.5671 6.5671 7.6003 7.6004 7.6467 7.6485 8.5498 8.5508 9.3870 9.3871 9.5158 9.5170 10.1130 10.1130 13.8801 13.8828 13.9444 13.9452 14.2715 14.2719 15.2936 15.2961 k =-0.4988 0.5000 0.0629 ( 2736 PWs) bands (ev): -46.1764 -46.1764 -22.8981 -22.8979 -22.2677 -22.2677 -22.2166 -22.2164 -14.2889 -14.2889 -6.1816 -6.1809 -5.8793 -5.8786 -5.8611 -5.8602 -0.9394 -0.9334 0.8137 0.8138 1.1171 1.1245 6.0483 6.0502 6.3578 6.3595 6.5672 6.5672 7.6062 7.6065 7.6546 7.6566 8.5090 8.5102 9.3967 9.3968 9.5216 9.5230 10.1140 10.1140 13.8855 13.8886 13.9523 13.9531 14.2745 14.2749 15.3385 15.3415 k =-0.4988 0.5000 0.0754 ( 2740 PWs) bands (ev): -46.1764 -46.1764 -22.8983 -22.8981 -22.2677 -22.2677 -22.2172 -22.2170 -14.2878 -14.2878 -6.1730 -6.1722 -5.8764 -5.8756 -5.8587 -5.8576 -0.9513 -0.9441 0.8009 0.8011 1.0946 1.1033 6.0492 6.0512 6.3880 6.3901 6.5673 6.5673 7.6129 7.6135 7.6645 7.6666 8.4604 8.4617 9.4085 9.4086 9.5287 9.5304 10.1152 10.1152 13.8923 13.8957 13.9618 13.9628 14.2781 14.2786 15.3920 15.3954 k =-0.4988 0.5000 0.0880 ( 2753 PWs) bands (ev): -46.1764 -46.1764 -22.8986 -22.8984 -22.2676 -22.2676 -22.2181 -22.2178 -14.2866 -14.2866 -6.1629 -6.1619 -5.8730 -5.8720 -5.8559 -5.8546 -0.9650 -0.9568 0.7861 0.7864 1.0687 1.0787 6.0500 6.0522 6.4230 6.4255 6.5674 6.5675 7.6201 7.6210 7.6763 7.6784 8.4048 8.4063 9.4223 9.4224 9.5372 9.5390 10.1166 10.1167 13.9006 13.9042 13.9730 13.9741 14.2823 14.2828 15.4534 15.4571 k =-0.4988 0.5000 0.1006 ( 2756 PWs) bands (ev): -46.1764 -46.1764 -22.8989 -22.8986 -22.2676 -22.2676 -22.2189 -22.2186 -14.2851 -14.2851 -6.1514 -6.1503 -5.8691 -5.8680 -5.8527 -5.8512 -0.9805 -0.9712 0.7694 0.7697 1.0399 1.0510 6.0509 6.0531 6.4626 6.4653 6.5676 6.5678 7.6277 7.6289 7.6899 7.6919 8.3429 8.3444 9.4382 9.4382 9.5471 9.5490 10.1183 10.1183 13.9105 13.9141 13.9859 13.9869 14.2871 14.2876 15.5219 15.5258 k =-0.4988 0.5000 0.1132 ( 2760 PWs) bands (ev): -46.1764 -46.1764 -22.8992 -22.8989 -22.2676 -22.2676 -22.2199 -22.2195 -14.2835 -14.2835 -6.1385 -6.1372 -5.8647 -5.8635 -5.8491 -5.8474 -0.9975 -0.9873 0.7508 0.7511 1.0083 1.0205 6.0518 6.0539 6.5063 6.5089 6.5678 6.5684 7.6356 7.6372 7.7050 7.7069 8.2754 8.2770 9.4559 9.4560 9.5585 9.5605 10.1201 10.1201 13.9220 13.9255 14.0003 14.0014 14.2924 14.2929 15.5967 15.6007 k =-0.4988 0.5000 0.1257 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.8995 -22.8992 -22.2675 -22.2675 -22.2209 -22.2205 -14.2817 -14.2817 -6.1244 -6.1229 -5.8599 -5.8586 -5.8451 -5.8431 -1.0162 -1.0050 0.7306 0.7309 0.9744 0.9875 6.0526 6.0547 6.5535 6.5536 6.5681 6.5718 7.6438 7.6456 7.7214 7.7231 8.2031 8.2047 9.4757 9.4757 9.5714 9.5734 10.1221 10.1221 13.9351 13.9384 14.0161 14.0172 14.2983 14.2987 15.6769 15.6809 k =-0.4988 0.5000 0.1383 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.8999 -22.8996 -22.2674 -22.2674 -22.2220 -22.2216 -14.2798 -14.2798 -6.1090 -6.1073 -5.8547 -5.8533 -5.8408 -5.8385 -1.0362 -1.0242 0.7088 0.7092 0.9383 0.9523 6.0533 6.0554 6.5665 6.5681 6.6045 6.6099 7.6521 7.6541 7.7387 7.7403 8.1269 8.1285 9.4973 9.4974 9.5858 9.5878 10.1242 10.1242 13.9497 13.9528 14.0334 14.0345 14.3046 14.3049 15.7616 15.7657 k =-0.4988 0.5000 0.1509 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.9003 -22.8999 -22.2673 -22.2673 -22.2231 -22.2227 -14.2777 -14.2777 -6.0925 -6.0906 -5.8491 -5.8475 -5.8361 -5.8336 -1.0574 -1.0447 0.6857 0.6861 0.9005 0.9152 6.0539 6.0559 6.5675 6.5684 6.6579 6.6627 7.6606 7.6627 7.7565 7.7580 8.0476 8.0492 9.5208 9.5210 9.6018 9.6039 10.1265 10.1265 13.9658 13.9686 14.0520 14.0530 14.3113 14.3115 15.8500 15.8540 k =-0.4988 0.5000 0.1634 ( 2758 PWs) bands (ev): -46.1763 -46.1763 -22.9007 -22.9003 -22.2672 -22.2672 -22.2243 -22.2239 -14.2756 -14.2755 -6.0749 -6.0728 -5.8431 -5.8415 -5.8311 -5.8283 -1.0798 -1.0664 0.6613 0.6617 0.8612 0.8765 6.0543 6.0563 6.5680 6.5687 6.7137 6.7182 7.6690 7.6711 7.7739 7.7753 7.9668 7.9683 9.5462 9.5464 9.6195 9.6215 10.1289 10.1290 13.9833 13.9858 14.0718 14.0728 14.3184 14.3186 15.9412 15.9451 k =-0.4988 0.5000 0.1760 ( 2746 PWs) bands (ev): -46.1762 -46.1762 -22.9011 -22.9007 -22.2671 -22.2671 -22.2255 -22.2251 -14.2733 -14.2733 -6.0565 -6.0541 -5.8368 -5.8351 -5.8259 -5.8228 -1.1032 -1.0892 0.6359 0.6364 0.8209 0.8367 6.0546 6.0564 6.5685 6.5691 6.7714 6.7757 7.6771 7.6789 7.7875 7.7891 7.8884 7.8897 9.5733 9.5736 9.6389 9.6409 10.1315 10.1316 14.0022 14.0042 14.0927 14.0937 14.3258 14.3259 16.0343 16.0381 k =-0.4988 0.5000 0.1886 ( 2748 PWs) bands (ev): -46.1762 -46.1762 -22.9015 -22.9011 -22.2670 -22.2670 -22.2269 -22.2264 -14.2709 -14.2709 -6.0372 -6.0345 -5.8303 -5.8284 -5.8203 -5.8169 -1.1274 -1.1129 0.6097 0.6101 0.7797 0.7959 6.0545 6.0563 6.5689 6.5694 6.8304 6.8344 7.6833 7.6847 7.7721 7.7747 7.8398 7.8402 9.6022 9.6025 9.6600 9.6619 10.1342 10.1342 14.0222 14.0239 14.1146 14.1156 14.3335 14.3335 16.1285 16.1320 k =-0.4988 0.5000 0.2012 ( 2746 PWs) bands (ev): -46.1761 -46.1761 -22.9020 -22.9016 -22.2669 -22.2669 -22.2282 -22.2278 -14.2684 -14.2684 -6.0172 -6.0141 -5.8235 -5.8216 -5.8145 -5.8108 -1.1522 -1.1373 0.5827 0.5832 0.7380 0.7544 6.0542 6.0559 6.5693 6.5698 6.8903 6.8938 7.6715 7.6718 7.7199 7.7231 7.8452 7.8455 9.6325 9.6329 9.6828 9.6847 10.1369 10.1370 14.0434 14.0447 14.1374 14.1384 14.3413 14.3415 16.2227 16.2262 k =-0.4988 0.5000 0.2137 ( 2752 PWs) bands (ev): -46.1761 -46.1761 -22.9025 -22.9020 -22.2668 -22.2668 -22.2297 -22.2292 -14.2659 -14.2659 -5.9966 -5.9932 -5.8165 -5.8146 -5.8084 -5.8044 -1.1776 -1.1623 0.5552 0.5558 0.6960 0.7126 6.0535 6.0551 6.5697 6.5702 6.9505 6.9535 7.6023 7.6032 7.7143 7.7164 7.8611 7.8614 9.6644 9.6648 9.7073 9.7091 10.1398 10.1399 14.0656 14.0666 14.1611 14.1620 14.3493 14.3497 16.3162 16.3195 k =-0.4988 0.5000 0.2263 ( 2748 PWs) bands (ev): -46.1761 -46.1761 -22.9029 -22.9025 -22.2667 -22.2667 -22.2311 -22.2306 -14.2633 -14.2633 -5.9755 -5.9717 -5.8093 -5.8076 -5.8020 -5.7977 -1.2033 -1.1878 0.5274 0.5280 0.6541 0.6708 6.0524 6.0539 6.5701 6.5706 7.0105 7.0129 7.5190 7.5200 7.7218 7.7231 7.8783 7.8784 9.6975 9.6979 9.7334 9.7352 10.1427 10.1428 14.0887 14.0892 14.1854 14.1863 14.3575 14.3579 16.4080 16.4112 k =-0.4988 0.5000 0.2389 ( 2746 PWs) bands (ev): -46.1760 -46.1760 -22.9034 -22.9030 -22.2666 -22.2666 -22.2325 -22.2320 -14.2606 -14.2606 -5.9542 -5.9498 -5.8021 -5.8006 -5.7953 -5.7908 -1.2291 -1.2135 0.4994 0.5001 0.6125 0.6291 6.0507 6.0522 6.5706 6.5710 7.0698 7.0713 7.4346 7.4356 7.7313 7.7319 7.8953 7.8954 9.7317 9.7322 9.7611 9.7628 10.1456 10.1458 14.1124 14.1127 14.2102 14.2111 14.3657 14.3663 16.4970 16.5001 k =-0.4988 0.5000 0.2514 ( 2752 PWs) bands (ev): -46.1760 -46.1760 -22.9040 -22.9035 -22.2665 -22.2665 -22.2340 -22.2335 -14.2580 -14.2580 -5.9326 -5.9278 -5.7949 -5.7938 -5.7882 -5.7837 -1.2550 -1.2394 0.4714 0.4722 0.5714 0.5878 6.0485 6.0498 6.5711 6.5715 7.1277 7.1281 7.3513 7.3520 7.7416 7.7418 7.9117 7.9118 9.7668 9.7673 9.7902 9.7918 10.1486 10.1488 14.1367 14.1368 14.2355 14.2364 14.3739 14.3747 16.5822 16.5853 k =-0.4988 0.5000 0.2640 ( 2756 PWs) bands (ev): -46.1759 -46.1759 -22.9045 -22.9040 -22.2664 -22.2664 -22.2354 -22.2349 -14.2554 -14.2553 -5.9111 -5.9056 -5.7876 -5.7873 -5.7809 -5.7763 -1.2808 -1.2652 0.4436 0.4445 0.5310 0.5472 6.0455 6.0468 6.5716 6.5719 7.1816 7.1831 7.2710 7.2713 7.7522 7.7531 7.9273 7.9275 9.8026 9.8030 9.8206 9.8222 10.1515 10.1518 14.1613 14.1616 14.2610 14.2619 14.3821 14.3831 16.6623 16.6655 k =-0.4988 0.5000 0.2766 ( 2748 PWs) bands (ev): -46.1759 -46.1759 -22.9049 -22.9045 -22.2663 -22.2663 -22.2368 -22.2363 -14.2527 -14.2527 -5.8898 -5.8835 -5.7808 -5.7804 -5.7733 -5.7687 -1.3063 -1.2909 0.4161 0.4171 0.4916 0.5074 6.0418 6.0430 6.5720 6.5724 7.1838 7.1876 7.2410 7.2426 7.7637 7.7655 7.9419 7.9422 9.8387 9.8391 9.8523 9.8538 10.1545 10.1549 14.1861 14.1868 14.2867 14.2876 14.3903 14.3914 16.7360 16.7396 k =-0.4988 0.5000 0.2892 ( 2746 PWs) bands (ev): -46.1759 -46.1759 -22.9054 -22.9050 -22.2662 -22.2662 -22.2382 -22.2377 -14.2501 -14.2501 -5.8688 -5.8615 -5.7746 -5.7733 -5.7656 -5.7609 -1.3314 -1.3161 0.3891 0.3902 0.4534 0.4687 6.0372 6.0383 6.5725 6.5729 7.1109 7.1129 7.2890 7.2902 7.7764 7.7791 7.9555 7.9560 9.8747 9.8749 9.8852 9.8866 10.1574 10.1579 14.2112 14.2120 14.3123 14.3133 14.3983 14.3996 16.8022 16.8062 k =-0.4988 0.5000 0.3017 ( 2750 PWs) bands (ev): -46.1758 -46.1758 -22.9059 -22.9055 -22.2661 -22.2661 -22.2395 -22.2391 -14.2476 -14.2475 -5.8485 -5.8400 -5.7685 -5.7663 -5.7578 -5.7528 -1.3558 -1.3409 0.3627 0.3639 0.4166 0.4312 6.0315 6.0325 6.5730 6.5733 7.0387 7.0403 7.3347 7.3373 7.7905 7.7940 7.9680 7.9687 9.9101 9.9102 9.9193 9.9205 10.1603 10.1608 14.2362 14.2373 14.3378 14.3389 14.4061 14.4077 16.8595 16.8643 k =-0.4988 0.5000 0.3143 ( 2752 PWs) bands (ev): -46.1758 -46.1758 -22.9064 -22.9060 -22.2660 -22.2660 -22.2409 -22.2404 -14.2451 -14.2450 -5.8290 -5.8191 -5.7625 -5.7595 -5.7499 -5.7444 -1.3795 -1.3651 0.3371 0.3385 0.3813 0.3951 6.0248 6.0257 6.5735 6.5738 6.9701 6.9716 7.3768 7.3805 7.8062 7.8106 7.9795 7.9804 9.9444 9.9448 9.9543 9.9553 10.1631 10.1637 14.2611 14.2623 14.3630 14.3642 14.4138 14.4156 16.9070 16.9129 k =-0.4988 0.5000 0.3269 ( 2752 PWs) bands (ev): -46.1757 -46.1757 -22.9069 -22.9064 -22.2660 -22.2659 -22.2422 -22.2417 -14.2426 -14.2426 -5.8107 -5.7990 -5.7568 -5.7528 -5.7420 -5.7356 -1.4024 -1.3884 0.3123 0.3140 0.3477 0.3606 6.0169 6.0178 6.5740 6.5743 6.9059 6.9072 7.4145 7.4192 7.8237 7.8288 7.9900 7.9910 9.9779 9.9785 9.9896 9.9904 10.1659 10.1666 14.2857 14.2871 14.3875 14.3889 14.4213 14.4234 16.9445 16.9518 k =-0.4988 0.5000 0.3395 ( 2758 PWs) bands (ev): -46.1757 -46.1757 -22.9073 -22.9069 -22.2659 -22.2659 -22.2434 -22.2430 -14.2403 -14.2403 -5.7938 -5.7801 -5.7513 -5.7462 -5.7338 -5.7264 -1.4242 -1.4109 0.2884 0.2906 0.3161 0.3279 6.0078 6.0086 6.5744 6.5747 6.8465 6.8476 7.4477 7.4532 7.8431 7.8486 7.9995 8.0007 10.0106 10.0114 10.0243 10.0252 10.1685 10.1694 14.3098 14.3113 14.4108 14.4126 14.4288 14.4316 16.9722 16.9810 k =-0.4988 0.5000 0.3520 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9077 -22.9074 -22.2658 -22.2658 -22.2446 -22.2442 -14.2381 -14.2381 -5.7789 -5.7629 -5.7460 -5.7397 -5.7251 -5.7165 -1.4449 -1.4323 0.2655 0.2683 0.2866 0.2970 5.9976 5.9982 6.5749 6.5751 6.7921 6.7931 7.4763 7.4824 7.8641 7.8698 8.0080 8.0095 10.0425 10.0434 10.0581 10.0592 10.1710 10.1722 14.3332 14.3348 14.4299 14.4316 14.4400 14.4427 16.9912 17.0015 k =-0.4988 0.5000 0.3646 ( 2766 PWs) bands (ev): -46.1756 -46.1756 -22.9082 -22.9078 -22.2657 -22.2657 -22.2457 -22.2453 -14.2360 -14.2360 -5.7659 -5.7480 -5.7408 -5.7335 -5.7154 -5.7059 -1.4644 -1.4525 0.2435 0.2474 0.2597 0.2681 5.9862 5.9867 6.5753 6.5755 6.7429 6.7438 7.5005 7.5069 7.8864 7.8920 8.0157 8.0174 10.0732 10.0742 10.0906 10.0919 10.1735 10.1750 14.3557 14.3574 14.4398 14.4403 14.4606 14.4614 17.0026 17.0144 k =-0.4988 0.5000 0.3772 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9086 -22.9082 -22.2657 -22.2657 -22.2467 -22.2464 -14.2340 -14.2340 -5.7551 -5.7375 -5.7345 -5.7275 -5.7044 -5.6948 -1.4825 -1.4714 0.2221 0.2278 0.2357 0.2414 5.9739 5.9743 6.5757 6.5759 6.6991 6.6999 7.5207 7.5271 7.9094 7.9145 8.0225 8.0245 10.1024 10.1035 10.1212 10.1230 10.1758 10.1780 14.3772 14.3789 14.4460 14.4472 14.4818 14.4820 17.0080 17.0202 k =-0.4988 0.5000 0.3897 ( 2774 PWs) bands (ev): -46.1756 -46.1756 -22.9089 -22.9086 -22.2656 -22.2656 -22.2477 -22.2474 -14.2322 -14.2322 -5.7462 -5.7325 -5.7256 -5.7218 -5.6924 -5.6835 -1.4991 -1.4889 0.2012 0.2095 0.2149 0.2171 5.9608 5.9612 6.5761 6.5762 6.6607 6.6614 7.5374 7.5435 7.9323 7.9368 8.0287 8.0310 10.1296 10.1310 10.1492 10.1522 10.1781 10.1818 14.3973 14.3992 14.4515 14.4532 14.5018 14.5019 17.0078 17.0160 k =-0.4988 0.5000 0.4023 ( 2768 PWs) bands (ev): -46.1756 -46.1756 -22.9092 -22.9089 -22.2655 -22.2655 -22.2485 -22.2482 -14.2305 -14.2305 -5.7390 -5.7285 -5.7183 -5.7164 -5.6800 -5.6723 -1.5142 -1.5050 0.1815 0.1915 0.1963 0.1970 5.9475 5.9478 6.5764 6.5766 6.6274 6.6280 7.5510 7.5567 7.9544 7.9580 8.0342 8.0370 10.1539 10.1560 10.1719 10.1787 10.1812 10.1895 14.4160 14.4180 14.4565 14.4585 14.5204 14.5206 16.9904 16.9950 k =-0.4988 0.5000 0.4149 ( 2760 PWs) bands (ev): -46.1755 -46.1755 -22.9094 -22.9092 -22.2655 -22.2655 -22.2492 -22.2489 -14.2290 -14.2290 -5.7330 -5.7250 -5.7124 -5.7116 -5.6681 -5.6616 -1.5276 -1.5194 0.1634 0.1729 0.1804 0.1816 5.9342 5.9344 6.5767 6.5769 6.5991 6.5996 7.5619 7.5671 7.9750 7.9774 8.0395 8.0428 10.1713 10.1749 10.1869 10.1870 10.2038 10.2069 14.4328 14.4351 14.4610 14.4634 14.5375 14.5377 16.9518 16.9578 k =-0.4988 0.5000 0.4275 ( 2766 PWs) bands (ev): -46.1755 -46.1755 -22.9097 -22.9095 -22.2655 -22.2654 -22.2499 -22.2497 -14.2277 -14.2277 -5.7281 -5.7220 -5.7075 -5.7073 -5.6572 -5.6519 -1.5393 -1.5322 0.1475 0.1556 0.1673 0.1683 5.9214 5.9216 6.5754 6.5759 6.5771 6.5772 7.5708 7.5753 7.9932 7.9943 8.0446 8.0484 10.1781 10.1805 10.2038 10.2042 10.2256 10.2271 14.4473 14.4501 14.4652 14.4682 14.5527 14.5530 16.9140 16.9188 k =-0.4988 0.5000 0.4400 ( 2768 PWs) bands (ev): -46.1755 -46.1755 -22.9099 -22.9097 -22.2654 -22.2654 -22.2505 -22.2503 -14.2266 -14.2266 -5.7241 -5.7194 -5.7036 -5.7035 -5.6476 -5.6434 -1.5492 -1.5432 0.1339 0.1407 0.1562 0.1570 5.9096 5.9098 6.5563 6.5566 6.5772 6.5773 7.5777 7.5816 8.0082 8.0082 8.0500 8.0542 10.1810 10.1825 10.2213 10.2214 10.2445 10.2454 14.4587 14.4622 14.4698 14.4735 14.5660 14.5662 16.8804 16.8842 k =-0.4988 0.5000 0.4526 ( 2782 PWs) bands (ev): -46.1755 -46.1755 -22.9102 -22.9100 -22.2654 -22.2654 -22.2510 -22.2509 -14.2257 -14.2257 -5.7208 -5.7174 -5.7005 -5.7003 -5.6395 -5.6362 -1.5573 -1.5524 0.1227 0.1282 0.1472 0.1477 5.8993 5.8994 6.5410 6.5413 6.5774 6.5775 7.5832 7.5863 8.0186 8.0195 8.0559 8.0601 10.1828 10.1837 10.2362 10.2362 10.2602 10.2608 14.4661 14.4687 14.4773 14.4800 14.5771 14.5773 16.8521 16.8550 k =-0.4988 0.5000 0.4652 ( 2788 PWs) bands (ev): -46.1755 -46.1755 -22.9103 -22.9102 -22.2654 -22.2654 -22.2514 -22.2513 -14.2250 -14.2250 -5.7183 -5.7158 -5.6981 -5.6978 -5.6330 -5.6306 -1.5635 -1.5598 0.1142 0.1182 0.1401 0.1405 5.8908 5.8908 6.5296 6.5297 6.5776 6.5777 7.5873 7.5897 8.0259 8.0270 8.0621 8.0658 10.1840 10.1846 10.2480 10.2481 10.2727 10.2730 14.4703 14.4715 14.4854 14.4868 14.5860 14.5861 16.8296 16.8318 k =-0.4988 0.5000 0.4777 ( 2792 PWs) bands (ev): -46.1755 -46.1755 -22.9104 -22.9103 -22.2654 -22.2654 -22.2517 -22.2516 -14.2244 -14.2244 -5.7164 -5.7148 -5.6963 -5.6961 -5.6282 -5.6266 -1.5677 -1.5653 0.1082 0.1109 0.1351 0.1353 5.8845 5.8845 6.5216 6.5217 6.5777 6.5778 7.5902 7.5918 8.0305 8.0314 8.0677 8.0703 10.1848 10.1852 10.2566 10.2567 10.2816 10.2819 14.4727 14.4733 14.4917 14.4924 14.5924 14.5925 16.8134 16.8148 k =-0.4988 0.5000 0.4903 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2519 -22.2519 -14.2241 -14.2241 -5.7151 -5.7143 -5.6952 -5.6951 -5.6251 -5.6244 -1.5701 -1.5688 0.1049 0.1062 0.1320 0.1322 5.8806 5.8806 6.5168 6.5169 6.5778 6.5778 7.5921 7.5929 8.0332 8.0336 8.0718 8.0731 10.1854 10.1856 10.2618 10.2619 10.2871 10.2872 14.4740 14.4742 14.4956 14.4959 14.5963 14.5963 16.8038 16.8045 k =-0.4988 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8793 5.8793 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2889 10.2889 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k =-0.4988 0.5000 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8793 5.8793 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2889 10.2889 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k =-0.5000 0.4988 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8792 5.8792 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2890 10.2890 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k =-0.5000 0.4988 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8792 5.8792 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2890 10.2890 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 k =-0.5000 0.4988 0.4903 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2519 -22.2519 -14.2241 -14.2241 -5.7151 -5.7143 -5.6952 -5.6951 -5.6251 -5.6244 -1.5701 -1.5688 0.1049 0.1062 0.1320 0.1321 5.8805 5.8806 6.5168 6.5169 6.5778 6.5778 7.5921 7.5929 8.0332 8.0337 8.0718 8.0731 10.1854 10.1856 10.2619 10.2619 10.2871 10.2872 14.4740 14.4742 14.4956 14.4959 14.5963 14.5963 16.8037 16.8044 k =-0.5000 0.4988 0.4777 ( 2792 PWs) bands (ev): -46.1755 -46.1755 -22.9104 -22.9103 -22.2654 -22.2654 -22.2517 -22.2516 -14.2244 -14.2244 -5.7164 -5.7148 -5.6963 -5.6961 -5.6282 -5.6266 -1.5677 -1.5653 0.1082 0.1109 0.1350 0.1353 5.8844 5.8845 6.5216 6.5217 6.5777 6.5777 7.5903 7.5918 8.0305 8.0314 8.0677 8.0703 10.1849 10.1853 10.2567 10.2567 10.2816 10.2819 14.4727 14.4733 14.4917 14.4924 14.5924 14.5925 16.8134 16.8148 k =-0.5000 0.4988 0.4652 ( 2788 PWs) bands (ev): -46.1755 -46.1755 -22.9103 -22.9102 -22.2654 -22.2654 -22.2514 -22.2513 -14.2250 -14.2249 -5.7183 -5.7158 -5.6980 -5.6978 -5.6330 -5.6306 -1.5635 -1.5598 0.1141 0.1182 0.1401 0.1405 5.8908 5.8908 6.5296 6.5297 6.5776 6.5776 7.5873 7.5897 8.0259 8.0270 8.0621 8.0658 10.1840 10.1847 10.2481 10.2481 10.2727 10.2730 14.4703 14.4716 14.4854 14.4868 14.5860 14.5861 16.8296 16.8317 k =-0.5000 0.4988 0.4526 ( 2784 PWs) bands (ev): -46.1755 -46.1755 -22.9102 -22.9100 -22.2654 -22.2654 -22.2510 -22.2509 -14.2257 -14.2257 -5.7208 -5.7173 -5.7005 -5.7003 -5.6395 -5.6362 -1.5573 -1.5525 0.1227 0.1282 0.1471 0.1477 5.8993 5.8993 6.5410 6.5413 6.5774 6.5775 7.5832 7.5863 8.0187 8.0195 8.0559 8.0602 10.1828 10.1838 10.2362 10.2362 10.2602 10.2608 14.4661 14.4687 14.4773 14.4800 14.5771 14.5773 16.8520 16.8550 k =-0.5000 0.4988 0.4400 ( 2768 PWs) bands (ev): -46.1755 -46.1755 -22.9099 -22.9097 -22.2654 -22.2654 -22.2505 -22.2503 -14.2266 -14.2266 -5.7241 -5.7194 -5.7036 -5.7035 -5.6476 -5.6434 -1.5492 -1.5432 0.1338 0.1407 0.1562 0.1570 5.9096 5.9097 6.5563 6.5566 6.5772 6.5773 7.5778 7.5816 8.0082 8.0082 8.0500 8.0542 10.1810 10.1825 10.2213 10.2214 10.2445 10.2454 14.4587 14.4622 14.4698 14.4735 14.5660 14.5662 16.8803 16.8842 k =-0.5000 0.4988 0.4275 ( 2764 PWs) bands (ev): -46.1755 -46.1755 -22.9097 -22.9095 -22.2655 -22.2654 -22.2499 -22.2497 -14.2277 -14.2277 -5.7281 -5.7220 -5.7075 -5.7073 -5.6572 -5.6519 -1.5393 -1.5322 0.1474 0.1557 0.1672 0.1682 5.9214 5.9216 6.5754 6.5759 6.5771 6.5772 7.5708 7.5753 7.9932 7.9944 8.0446 8.0484 10.1781 10.1806 10.2039 10.2042 10.2256 10.2271 14.4473 14.4502 14.4652 14.4682 14.5528 14.5530 16.9139 16.9188 k =-0.5000 0.4988 0.4149 ( 2760 PWs) bands (ev): -46.1755 -46.1755 -22.9094 -22.9092 -22.2655 -22.2655 -22.2492 -22.2489 -14.2290 -14.2290 -5.7330 -5.7250 -5.7123 -5.7116 -5.6681 -5.6616 -1.5276 -1.5194 0.1634 0.1729 0.1803 0.1815 5.9342 5.9344 6.5767 6.5768 6.5991 6.5996 7.5620 7.5671 7.9750 7.9774 8.0395 8.0428 10.1713 10.1749 10.1869 10.1871 10.2038 10.2069 14.4328 14.4351 14.4610 14.4634 14.5375 14.5377 16.9517 16.9577 k =-0.5000 0.4988 0.4023 ( 2768 PWs) bands (ev): -46.1756 -46.1756 -22.9092 -22.9089 -22.2655 -22.2655 -22.2485 -22.2482 -14.2305 -14.2305 -5.7390 -5.7285 -5.7183 -5.7164 -5.6800 -5.6723 -1.5142 -1.5050 0.1815 0.1916 0.1962 0.1970 5.9475 5.9478 6.5764 6.5766 6.6274 6.6280 7.5510 7.5567 7.9544 7.9580 8.0342 8.0370 10.1540 10.1561 10.1720 10.1790 10.1809 10.1894 14.4160 14.4180 14.4565 14.4585 14.5205 14.5206 16.9904 16.9969 k =-0.5000 0.4988 0.3897 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9089 -22.9086 -22.2656 -22.2656 -22.2477 -22.2474 -14.2322 -14.2322 -5.7462 -5.7325 -5.7256 -5.7218 -5.6924 -5.6835 -1.4991 -1.4890 0.2013 0.2095 0.2148 0.2170 5.9608 5.9612 6.5760 6.5762 6.6607 6.6614 7.5374 7.5435 7.9323 7.9368 8.0287 8.0310 10.1297 10.1311 10.1493 10.1522 10.1781 10.1818 14.3974 14.3992 14.4515 14.4532 14.5019 14.5019 17.0077 17.0160 k =-0.5000 0.4988 0.3772 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9086 -22.9082 -22.2657 -22.2657 -22.2467 -22.2464 -14.2340 -14.2340 -5.7551 -5.7374 -5.7345 -5.7275 -5.7045 -5.6948 -1.4825 -1.4714 0.2221 0.2278 0.2356 0.2413 5.9738 5.9743 6.5757 6.5759 6.6991 6.6999 7.5207 7.5271 7.9094 7.9146 8.0225 8.0245 10.1024 10.1035 10.1212 10.1230 10.1758 10.1780 14.3772 14.3789 14.4460 14.4473 14.4818 14.4820 17.0079 17.0201 k =-0.5000 0.4988 0.3646 ( 2768 PWs) bands (ev): -46.1757 -46.1757 -22.9082 -22.9078 -22.2658 -22.2657 -22.2457 -22.2453 -14.2360 -14.2360 -5.7659 -5.7479 -5.7409 -5.7335 -5.7155 -5.7060 -1.4644 -1.4525 0.2435 0.2474 0.2596 0.2680 5.9861 5.9867 6.5753 6.5755 6.7429 6.7438 7.5005 7.5069 7.8864 7.8920 8.0157 8.0174 10.0732 10.0742 10.0906 10.0919 10.1735 10.1750 14.3558 14.3574 14.4399 14.4404 14.4606 14.4614 17.0026 17.0143 k =-0.5000 0.4988 0.3520 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9077 -22.9074 -22.2658 -22.2658 -22.2446 -22.2442 -14.2381 -14.2381 -5.7788 -5.7628 -5.7460 -5.7397 -5.7251 -5.7165 -1.4449 -1.4323 0.2656 0.2683 0.2865 0.2969 5.9975 5.9982 6.5748 6.5751 6.7921 6.7931 7.4763 7.4824 7.8642 7.8698 8.0080 8.0095 10.0425 10.0434 10.0582 10.0592 10.1711 10.1722 14.3332 14.3348 14.4300 14.4316 14.4400 14.4428 16.9911 17.0015 k =-0.5000 0.4988 0.3395 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9073 -22.9069 -22.2659 -22.2659 -22.2434 -22.2430 -14.2403 -14.2403 -5.7938 -5.7801 -5.7513 -5.7462 -5.7338 -5.7264 -1.4242 -1.4109 0.2885 0.2906 0.3160 0.3278 6.0078 6.0085 6.5744 6.5747 6.8465 6.8476 7.4477 7.4532 7.8431 7.8486 7.9995 8.0007 10.0107 10.0114 10.0243 10.0252 10.1685 10.1694 14.3098 14.3113 14.4108 14.4127 14.4288 14.4316 16.9722 16.9810 k =-0.5000 0.4988 0.3269 ( 2752 PWs) bands (ev): -46.1757 -46.1757 -22.9069 -22.9064 -22.2660 -22.2659 -22.2422 -22.2417 -14.2426 -14.2426 -5.8106 -5.7990 -5.7568 -5.7528 -5.7420 -5.7357 -1.4024 -1.3885 0.3123 0.3140 0.3477 0.3606 6.0169 6.0177 6.5739 6.5742 6.9059 6.9072 7.4145 7.4193 7.8238 7.8288 7.9900 7.9910 9.9779 9.9785 9.9896 9.9905 10.1659 10.1666 14.2857 14.2871 14.3875 14.3889 14.4213 14.4234 16.9445 16.9517 k =-0.5000 0.4988 0.3143 ( 2752 PWs) bands (ev): -46.1758 -46.1758 -22.9064 -22.9060 -22.2660 -22.2660 -22.2409 -22.2404 -14.2451 -14.2450 -5.8290 -5.8191 -5.7625 -5.7595 -5.7500 -5.7444 -1.3795 -1.3651 0.3371 0.3385 0.3812 0.3951 6.0248 6.0257 6.5735 6.5738 6.9701 6.9716 7.3768 7.3805 7.8062 7.8106 7.9795 7.9804 9.9444 9.9448 9.9543 9.9553 10.1631 10.1638 14.2611 14.2624 14.3630 14.3642 14.4138 14.4156 16.9070 16.9129 k =-0.5000 0.4988 0.3017 ( 2748 PWs) bands (ev): -46.1758 -46.1758 -22.9059 -22.9055 -22.2661 -22.2661 -22.2395 -22.2391 -14.2475 -14.2475 -5.8484 -5.8400 -5.7685 -5.7663 -5.7578 -5.7528 -1.3558 -1.3409 0.3627 0.3639 0.4165 0.4311 6.0315 6.0325 6.5730 6.5733 7.0387 7.0403 7.3347 7.3373 7.7905 7.7940 7.9680 7.9687 9.9101 9.9102 9.9193 9.9205 10.1603 10.1608 14.2362 14.2373 14.3379 14.3389 14.4062 14.4077 16.8594 16.8643 k =-0.5000 0.4988 0.2892 ( 2744 PWs) bands (ev): -46.1758 -46.1758 -22.9054 -22.9050 -22.2662 -22.2662 -22.2381 -22.2376 -14.2501 -14.2501 -5.8688 -5.8615 -5.7746 -5.7733 -5.7656 -5.7609 -1.3314 -1.3162 0.3891 0.3902 0.4534 0.4686 6.0371 6.0382 6.5725 6.5729 7.1109 7.1129 7.2890 7.2902 7.7764 7.7791 7.9555 7.9560 9.8747 9.8750 9.8852 9.8866 10.1574 10.1579 14.2112 14.2120 14.3124 14.3134 14.3983 14.3996 16.8021 16.8062 k =-0.5000 0.4988 0.2766 ( 2748 PWs) bands (ev): -46.1759 -46.1759 -22.9049 -22.9045 -22.2663 -22.2663 -22.2368 -22.2363 -14.2527 -14.2527 -5.8897 -5.8834 -5.7808 -5.7804 -5.7733 -5.7688 -1.3063 -1.2909 0.4161 0.4171 0.4916 0.5074 6.0418 6.0430 6.5720 6.5724 7.1838 7.1876 7.2410 7.2426 7.7637 7.7655 7.9419 7.9422 9.8387 9.8391 9.8523 9.8538 10.1545 10.1549 14.1861 14.1868 14.2867 14.2877 14.3903 14.3914 16.7360 16.7395 k =-0.5000 0.4988 0.2640 ( 2756 PWs) bands (ev): -46.1759 -46.1759 -22.9045 -22.9040 -22.2664 -22.2664 -22.2354 -22.2349 -14.2554 -14.2553 -5.9111 -5.9056 -5.7876 -5.7873 -5.7809 -5.7763 -1.2808 -1.2652 0.4436 0.4445 0.5310 0.5471 6.0455 6.0468 6.5715 6.5719 7.1816 7.1831 7.2710 7.2713 7.7522 7.7531 7.9272 7.9275 9.8026 9.8031 9.8206 9.8222 10.1516 10.1519 14.1613 14.1617 14.2610 14.2620 14.3822 14.3831 16.6622 16.6655 k =-0.5000 0.4988 0.2514 ( 2752 PWs) bands (ev): -46.1760 -46.1760 -22.9040 -22.9035 -22.2665 -22.2665 -22.2340 -22.2335 -14.2580 -14.2580 -5.9326 -5.9277 -5.7949 -5.7938 -5.7883 -5.7837 -1.2551 -1.2394 0.4714 0.4722 0.5713 0.5878 6.0485 6.0498 6.5711 6.5715 7.1277 7.1281 7.3514 7.3521 7.7416 7.7417 7.9117 7.9118 9.7669 9.7673 9.7902 9.7919 10.1486 10.1488 14.1368 14.1368 14.2355 14.2364 14.3740 14.3747 16.5822 16.5852 k =-0.5000 0.4988 0.2389 ( 2744 PWs) bands (ev): -46.1760 -46.1760 -22.9034 -22.9030 -22.2666 -22.2666 -22.2325 -22.2320 -14.2606 -14.2606 -5.9541 -5.9498 -5.8021 -5.8006 -5.7953 -5.7908 -1.2291 -1.2135 0.4994 0.5001 0.6124 0.6290 6.0507 6.0522 6.5706 6.5710 7.0698 7.0713 7.4346 7.4356 7.7313 7.7319 7.8953 7.8954 9.7317 9.7322 9.7611 9.7628 10.1456 10.1458 14.1125 14.1127 14.2102 14.2112 14.3657 14.3663 16.4970 16.5001 k =-0.5000 0.4988 0.2263 ( 2748 PWs) bands (ev): -46.1761 -46.1761 -22.9029 -22.9025 -22.2667 -22.2667 -22.2311 -22.2306 -14.2633 -14.2633 -5.9755 -5.9717 -5.8093 -5.8076 -5.8020 -5.7977 -1.2033 -1.1878 0.5274 0.5280 0.6541 0.6707 6.0524 6.0539 6.5701 6.5706 7.0105 7.0129 7.5190 7.5200 7.7218 7.7231 7.8782 7.8784 9.6975 9.6980 9.7334 9.7352 10.1427 10.1428 14.0887 14.0893 14.1854 14.1863 14.3575 14.3580 16.4080 16.4111 k =-0.5000 0.4988 0.2137 ( 2752 PWs) bands (ev): -46.1761 -46.1761 -22.9025 -22.9020 -22.2668 -22.2668 -22.2297 -22.2292 -14.2659 -14.2659 -5.9965 -5.9931 -5.8165 -5.8146 -5.8084 -5.8044 -1.1776 -1.1623 0.5552 0.5558 0.6960 0.7126 6.0535 6.0551 6.5697 6.5702 6.9505 6.9535 7.6024 7.6032 7.7143 7.7164 7.8610 7.8613 9.6644 9.6648 9.7073 9.7091 10.1398 10.1399 14.0656 14.0666 14.1611 14.1620 14.3494 14.3497 16.3162 16.3195 k =-0.5000 0.4988 0.2012 ( 2748 PWs) bands (ev): -46.1761 -46.1761 -22.9020 -22.9016 -22.2669 -22.2669 -22.2282 -22.2278 -14.2684 -14.2684 -6.0171 -6.0141 -5.8235 -5.8216 -5.8145 -5.8108 -1.1522 -1.1373 0.5827 0.5832 0.7379 0.7544 6.0542 6.0559 6.5693 6.5698 6.8903 6.8938 7.6716 7.6719 7.7199 7.7231 7.8451 7.8455 9.6326 9.6329 9.6828 9.6847 10.1369 10.1370 14.0434 14.0448 14.1375 14.1384 14.3414 14.3415 16.2227 16.2261 k =-0.5000 0.4988 0.1886 ( 2744 PWs) bands (ev): -46.1762 -46.1762 -22.9015 -22.9011 -22.2670 -22.2670 -22.2269 -22.2264 -14.2709 -14.2709 -6.0371 -6.0344 -5.8303 -5.8284 -5.8203 -5.8169 -1.1274 -1.1129 0.6097 0.6101 0.7797 0.7958 6.0545 6.0563 6.5688 6.5694 6.8304 6.8344 7.6834 7.6847 7.7721 7.7747 7.8397 7.8401 9.6022 9.6025 9.6600 9.6620 10.1342 10.1343 14.0223 14.0240 14.1146 14.1156 14.3335 14.3336 16.1285 16.1320 k =-0.5000 0.4988 0.1760 ( 2748 PWs) bands (ev): -46.1762 -46.1762 -22.9011 -22.9007 -22.2671 -22.2671 -22.2255 -22.2251 -14.2733 -14.2733 -6.0564 -6.0540 -5.8369 -5.8351 -5.8259 -5.8228 -1.1032 -1.0892 0.6359 0.6364 0.8208 0.8366 6.0545 6.0564 6.5684 6.5690 6.7714 6.7757 7.6771 7.6790 7.7876 7.7892 7.8884 7.8896 9.5734 9.5736 9.6389 9.6409 10.1315 10.1316 14.0022 14.0043 14.0927 14.0937 14.3258 14.3259 16.0343 16.0381 k =-0.5000 0.4988 0.1634 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.9007 -22.9003 -22.2673 -22.2673 -22.2243 -22.2239 -14.2756 -14.2755 -6.0749 -6.0728 -5.8431 -5.8415 -5.8311 -5.8284 -1.0798 -1.0664 0.6613 0.6617 0.8612 0.8765 6.0543 6.0562 6.5680 6.5687 6.7137 6.7182 7.6690 7.6711 7.7739 7.7753 7.9668 7.9683 9.5462 9.5465 9.6195 9.6215 10.1289 10.1290 13.9833 13.9858 14.0718 14.0728 14.3184 14.3186 15.9412 15.9451 k =-0.5000 0.4988 0.1509 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.9003 -22.8999 -22.2673 -22.2673 -22.2231 -22.2227 -14.2777 -14.2777 -6.0925 -6.0905 -5.8491 -5.8475 -5.8361 -5.8336 -1.0574 -1.0447 0.6857 0.6861 0.9005 0.9152 6.0539 6.0559 6.5675 6.5684 6.6579 6.6626 7.6606 7.6627 7.7565 7.7580 8.0476 8.0492 9.5209 9.5210 9.6019 9.6039 10.1265 10.1265 13.9658 13.9686 14.0520 14.0531 14.3113 14.3116 15.8500 15.8540 k =-0.5000 0.4988 0.1383 ( 2758 PWs) bands (ev): -46.1763 -46.1763 -22.8999 -22.8996 -22.2674 -22.2674 -22.2219 -22.2216 -14.2798 -14.2798 -6.1090 -6.1073 -5.8547 -5.8533 -5.8408 -5.8386 -1.0362 -1.0242 0.7088 0.7092 0.9383 0.9523 6.0533 6.0553 6.5665 6.5681 6.6044 6.6098 7.6521 7.6541 7.7388 7.7403 8.1269 8.1285 9.4973 9.4975 9.5858 9.5878 10.1242 10.1242 13.9497 13.9528 14.0334 14.0345 14.3046 14.3049 15.7616 15.7657 k =-0.5000 0.4988 0.1257 ( 2760 PWs) bands (ev): -46.1763 -46.1763 -22.8995 -22.8992 -22.2675 -22.2675 -22.2209 -22.2205 -14.2817 -14.2817 -6.1243 -6.1228 -5.8600 -5.8586 -5.8451 -5.8431 -1.0162 -1.0050 0.7306 0.7309 0.9744 0.9875 6.0525 6.0547 6.5535 6.5535 6.5681 6.5717 7.6438 7.6456 7.7214 7.7231 8.2031 8.2047 9.4757 9.4758 9.5714 9.5734 10.1221 10.1221 13.9351 13.9384 14.0162 14.0172 14.2983 14.2987 15.6769 15.6809 k =-0.5000 0.4988 0.1132 ( 2760 PWs) bands (ev): -46.1764 -46.1764 -22.8992 -22.8989 -22.2676 -22.2676 -22.2199 -22.2195 -14.2835 -14.2835 -6.1385 -6.1372 -5.8648 -5.8635 -5.8491 -5.8474 -0.9975 -0.9873 0.7508 0.7511 1.0083 1.0205 6.0517 6.0539 6.5062 6.5089 6.5678 6.5684 7.6356 7.6371 7.7050 7.7069 8.2754 8.2769 9.4560 9.4560 9.5585 9.5605 10.1201 10.1201 13.9220 13.9255 14.0003 14.0014 14.2925 14.2929 15.5967 15.6007 k =-0.5000 0.4988 0.1006 ( 2754 PWs) bands (ev): -46.1764 -46.1764 -22.8989 -22.8986 -22.2676 -22.2676 -22.2189 -22.2186 -14.2851 -14.2851 -6.1514 -6.1502 -5.8691 -5.8680 -5.8527 -5.8512 -0.9805 -0.9712 0.7694 0.7696 1.0399 1.0510 6.0509 6.0531 6.4626 6.4653 6.5676 6.5678 7.6277 7.6289 7.6899 7.6919 8.3429 8.3444 9.4382 9.4382 9.5472 9.5491 10.1183 10.1183 13.9106 13.9141 13.9859 13.9870 14.2871 14.2876 15.5219 15.5258 k =-0.5000 0.4988 0.0880 ( 2754 PWs) bands (ev): -46.1764 -46.1764 -22.8986 -22.8984 -22.2677 -22.2676 -22.2181 -22.2178 -14.2866 -14.2866 -6.1629 -6.1619 -5.8730 -5.8721 -5.8559 -5.8546 -0.9650 -0.9568 0.7861 0.7864 1.0687 1.0787 6.0500 6.0521 6.4230 6.4255 6.5674 6.5675 7.6200 7.6210 7.6763 7.6784 8.4048 8.4062 9.4223 9.4224 9.5372 9.5390 10.1167 10.1167 13.9006 13.9042 13.9731 13.9741 14.2824 14.2828 15.4534 15.4571 k =-0.5000 0.4988 0.0754 ( 2740 PWs) bands (ev): -46.1764 -46.1764 -22.8983 -22.8981 -22.2677 -22.2677 -22.2172 -22.2170 -14.2878 -14.2878 -6.1730 -6.1721 -5.8764 -5.8756 -5.8588 -5.8576 -0.9513 -0.9441 0.8009 0.8011 1.0946 1.1033 6.0491 6.0512 6.3879 6.3901 6.5673 6.5673 7.6128 7.6134 7.6645 7.6666 8.4604 8.4617 9.4085 9.4086 9.5287 9.5304 10.1152 10.1152 13.8923 13.8957 13.9618 13.9628 14.2781 14.2786 15.3920 15.3954 k =-0.5000 0.4988 0.0629 ( 2736 PWs) bands (ev): -46.1764 -46.1764 -22.8981 -22.8979 -22.2677 -22.2677 -22.2166 -22.2164 -14.2889 -14.2889 -6.1816 -6.1809 -5.8793 -5.8786 -5.8611 -5.8602 -0.9394 -0.9334 0.8136 0.8138 1.1171 1.1245 6.0483 6.0502 6.3577 6.3595 6.5672 6.5672 7.6062 7.6065 7.6546 7.6566 8.5089 8.5101 9.3967 9.3968 9.5216 9.5231 10.1140 10.1140 13.8855 13.8886 13.9523 13.9531 14.2745 14.2749 15.3385 15.3415 k =-0.5000 0.4988 0.0503 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8979 -22.8978 -22.2677 -22.2677 -22.2161 -22.2159 -14.2898 -14.2898 -6.1887 -6.1882 -5.8817 -5.8811 -5.8631 -5.8624 -0.9295 -0.9246 0.8242 0.8243 1.1360 1.1420 6.0476 6.0493 6.3327 6.3340 6.5671 6.5671 7.6003 7.6004 7.6466 7.6484 8.5498 8.5508 9.3870 9.3871 9.5158 9.5170 10.1130 10.1130 13.8802 13.8829 13.9444 13.9452 14.2716 14.2719 15.2936 15.2962 k =-0.5000 0.4988 0.0377 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8977 -22.8976 -22.2678 -22.2678 -22.2156 -22.2155 -14.2905 -14.2905 -6.1942 -6.1938 -5.8835 -5.8831 -5.8646 -5.8641 -0.9216 -0.9179 0.8325 0.8326 1.1512 1.1557 6.0470 6.0484 6.3130 6.3139 6.5670 6.5670 7.5953 7.5953 7.6407 7.6421 8.5823 8.5831 9.3794 9.3794 9.5113 9.5123 10.1122 10.1122 13.8762 13.8784 13.9383 13.9389 14.2692 14.2695 15.2581 15.2600 k =-0.5000 0.4988 0.0251 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8977 -22.8976 -22.2678 -22.2678 -22.2154 -22.2153 -14.2911 -14.2911 -6.1982 -6.1980 -5.8848 -5.8846 -5.8657 -5.8653 -0.9157 -0.9132 0.8385 0.8385 1.1624 1.1654 6.0466 6.0476 6.2988 6.2994 6.5669 6.5669 7.5915 7.5916 7.6366 7.6376 8.6060 8.6065 9.3739 9.3739 9.5082 9.5088 10.1116 10.1117 13.8736 13.8751 13.9340 13.9344 14.2676 14.2678 15.2324 15.2337 k =-0.5000 0.4988 0.0126 ( 2740 PWs) bands (ev): -46.1765 -46.1765 -22.8976 -22.8975 -22.2678 -22.2678 -22.2152 -22.2151 -14.2914 -14.2914 -6.2006 -6.2004 -5.8856 -5.8855 -5.8663 -5.8661 -0.9119 -0.9106 0.8421 0.8421 1.1694 1.1710 6.0465 6.0470 6.2903 6.2906 6.5669 6.5669 7.5892 7.5892 7.6342 7.6348 8.6204 8.6207 9.3706 9.3706 9.5064 9.5067 10.1113 10.1113 13.8722 13.8730 13.9314 13.9316 14.2666 14.2667 15.2169 15.2176 k =-0.5000 0.4988 0.0000 ( 2736 PWs) bands (ev): -46.1765 -46.1765 -22.8975 -22.8975 -22.2678 -22.2678 -22.2150 -22.2150 -14.2915 -14.2915 -6.2013 -6.2013 -5.8858 -5.8858 -5.8664 -5.8664 -0.9102 -0.9102 0.8433 0.8433 1.1723 1.1723 6.0466 6.0466 6.2876 6.2876 6.5669 6.5669 7.5884 7.5884 7.6337 7.6337 8.6254 8.6254 9.3695 9.3695 9.5059 9.5059 10.1112 10.1112 13.8721 13.8721 13.9306 13.9306 14.2663 14.2663 15.2120 15.2120 k = 0.0000 0.0000 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8841 -22.8841 -22.2396 -22.2396 -22.2172 -22.2172 -14.3602 -14.3602 -6.8120 -6.8120 -5.8788 -5.8788 -5.5642 -5.5642 -0.8130 -0.8130 1.0907 1.0907 1.2281 1.2281 6.3441 6.3441 7.5347 7.5347 7.5552 7.5552 8.0222 8.0222 8.2212 8.2212 8.5951 8.5951 8.7954 8.7954 9.2405 9.2405 9.3732 9.3732 12.7236 12.7236 13.8888 13.8888 13.9508 13.9508 14.5075 14.5075 k =-0.0089 0.0089 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8842 -22.8841 -22.2396 -22.2396 -22.2174 -22.2172 -14.3601 -14.3601 -6.8114 -6.8112 -5.8789 -5.8785 -5.5647 -5.5644 -0.8142 -0.8123 1.0895 1.0916 1.2272 1.2277 6.3438 6.3439 7.5332 7.5349 7.5544 7.5564 8.0115 8.0185 8.2172 8.2194 8.5954 8.6045 8.8007 8.8008 9.2257 9.2387 9.3714 9.3855 12.7227 12.7253 13.8887 13.8892 13.9506 13.9511 14.5107 14.5120 k =-0.0179 0.0178 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8843 -22.8841 -22.2397 -22.2396 -22.2176 -22.2173 -14.3598 -14.3597 -6.8092 -6.8088 -5.8786 -5.8780 -5.5659 -5.5653 -0.8157 -0.8119 1.0880 1.0922 1.2251 1.2262 6.3429 6.3430 7.5307 7.5338 7.5543 7.5580 7.9880 8.0008 8.2075 8.2118 8.6057 8.6226 8.8159 8.8160 9.1998 9.2203 9.3801 9.4029 12.7228 12.7279 13.8886 13.8896 13.9507 13.9516 14.5216 14.5242 k =-0.0268 0.0267 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8844 -22.8842 -22.2398 -22.2396 -22.2178 -22.2174 -14.3592 -14.3592 -6.8056 -6.8050 -5.8782 -5.8771 -5.5678 -5.5669 -0.8177 -0.8119 1.0862 1.0925 1.2218 1.2235 6.3413 6.3415 7.5273 7.5314 7.5549 7.5598 7.9538 7.9707 8.1929 8.1994 8.6253 8.6477 8.8393 8.8401 9.1675 9.1913 9.3935 9.4207 12.7240 12.7316 13.8887 13.8902 13.9511 13.9524 14.5399 14.5437 k =-0.0357 0.0356 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8846 -22.8843 -22.2399 -22.2397 -22.2182 -22.2176 -14.3584 -14.3584 -6.8004 -6.7996 -5.8774 -5.8761 -5.5703 -5.5692 -0.8200 -0.8123 1.0838 1.0923 1.2174 1.2197 6.3392 6.3395 7.5231 7.5276 7.5560 7.5617 7.9113 7.9307 8.1746 8.1831 8.6526 8.6784 8.8691 8.8709 9.1310 9.1560 9.4072 9.4367 12.7267 12.7366 13.8890 13.8910 13.9517 13.9534 14.5654 14.5704 k =-0.0446 0.0445 0.5029 ( 2766 PWs) bands (ev): -46.1773 -46.1773 -22.8848 -22.8844 -22.2400 -22.2397 -22.2186 -22.2179 -14.3574 -14.3574 -6.7938 -6.7928 -5.8764 -5.8748 -5.5736 -5.5721 -0.8229 -0.8131 1.0808 1.0915 1.2122 1.2150 6.3366 6.3370 7.5181 7.5227 7.5573 7.5635 7.8627 7.8830 8.1537 8.1642 8.6860 8.7135 8.9035 8.9065 9.0918 9.1170 9.4191 9.4498 12.7312 12.7433 13.8895 13.8919 13.9526 13.9547 14.5977 14.6038 k =-0.0536 0.0534 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8850 -22.8846 -22.2401 -22.2398 -22.2191 -22.2182 -14.3562 -14.3562 -6.7856 -6.7845 -5.8752 -5.8732 -5.5774 -5.5756 -0.8262 -0.8145 1.0770 1.0898 1.2063 1.2095 6.3335 6.3339 7.5122 7.5169 7.5585 7.5652 7.8096 7.8297 8.1314 8.1438 8.7239 8.7520 8.9408 8.9453 9.0505 9.0756 9.4279 9.4593 12.7379 12.7519 13.8902 13.8931 13.9539 13.9565 14.6365 14.6436 k =-0.0625 0.0623 0.5029 ( 2762 PWs) bands (ev): -46.1773 -46.1773 -22.8854 -22.8848 -22.2403 -22.2399 -22.2196 -22.2186 -14.3548 -14.3548 -6.7761 -6.7747 -5.8737 -5.8714 -5.5817 -5.5797 -0.8301 -0.8164 1.0721 1.0869 1.1999 1.2035 6.3299 6.3303 7.5054 7.5100 7.5595 7.5666 7.7533 7.7726 8.1085 8.1226 8.7653 8.7932 8.9793 8.9859 9.0079 9.0331 9.4334 9.4650 12.7472 12.7630 13.8912 13.8946 13.9556 13.9586 14.6811 14.6891 k =-0.0714 0.0713 0.5029 ( 2762 PWs) bands (ev): -46.1772 -46.1772 -22.8857 -22.8850 -22.2404 -22.2400 -22.2203 -22.2191 -14.3532 -14.3532 -6.7651 -6.7635 -5.8719 -5.8693 -5.5866 -5.5843 -0.8346 -0.8190 1.0658 1.0825 1.1934 1.1970 6.3259 6.3264 7.4979 7.5022 7.5600 7.5675 7.6951 7.7130 8.0856 8.1015 8.8092 8.8365 8.9643 8.9852 9.0234 9.0276 9.4351 9.4668 12.7594 12.7767 13.8925 13.8964 13.9579 13.9613 14.7312 14.7400 k =-0.0804 0.0802 0.5029 ( 2764 PWs) bands (ev): -46.1772 -46.1772 -22.8861 -22.8853 -22.2407 -22.2402 -22.2209 -22.2197 -14.3513 -14.3513 -6.7526 -6.7509 -5.8700 -5.8670 -5.5920 -5.5894 -0.8398 -0.8222 1.0580 1.0762 1.1871 1.1903 6.3215 6.3220 7.4896 7.4935 7.5596 7.5676 7.6360 7.6518 8.0632 8.0806 8.8548 8.8809 8.9209 8.9419 9.0628 9.0695 9.4332 9.4647 12.7749 12.7936 13.8943 13.8986 13.9607 13.9646 14.7862 14.7957 k =-0.0893 0.0891 0.5029 ( 2758 PWs) bands (ev): -46.1772 -46.1772 -22.8864 -22.8856 -22.2408 -22.2403 -22.2217 -22.2203 -14.3493 -14.3493 -6.7388 -6.7369 -5.8677 -5.8645 -5.5977 -5.5949 -0.8458 -0.8261 1.0484 1.0676 1.1812 1.1835 6.3167 6.3173 7.4804 7.4836 7.5574 7.5668 7.5778 7.5902 8.0416 8.0605 8.8746 8.8896 8.9094 8.9294 9.1033 9.1112 9.4278 9.4588 12.7938 12.8137 13.8964 13.9011 13.9643 13.9685 14.8457 14.8557 k =-0.0982 0.0980 0.5029 ( 2758 PWs) bands (ev): -46.1772 -46.1772 -22.8869 -22.8860 -22.2410 -22.2405 -22.2225 -22.2210 -14.3471 -14.3471 -6.7237 -6.7216 -5.8653 -5.8618 -5.6038 -5.6007 -0.8525 -0.8308 1.0369 1.0567 1.1758 1.1767 6.3117 6.3124 7.4704 7.4716 7.5184 7.5289 7.5568 7.5646 8.0211 8.0413 8.8310 8.8495 8.9530 8.9766 9.1436 9.1522 9.4191 9.4496 12.8164 12.8372 13.8991 13.9042 13.9686 13.9731 14.9091 14.9196 k =-0.1071 0.1069 0.5029 ( 2762 PWs) bands (ev): -46.1771 -46.1771 -22.8874 -22.8864 -22.2413 -22.2407 -22.2234 -22.2217 -14.3447 -14.3447 -6.7072 -6.7050 -5.8626 -5.8588 -5.6102 -5.6068 -0.8600 -0.8363 1.0233 1.0434 1.1699 1.1708 6.3065 6.3072 7.4471 7.4574 7.4709 7.4741 7.5521 7.5608 8.0017 8.0230 8.7876 8.8048 9.0023 9.0250 9.1833 9.1924 9.4076 9.4373 12.8428 12.8643 13.9024 13.9079 13.9736 13.9785 14.9760 14.9869 k =-0.1161 0.1158 0.5029 ( 2762 PWs) bands (ev): -46.1771 -46.1771 -22.8879 -22.8869 -22.2415 -22.2409 -22.2243 -22.2226 -14.3422 -14.3422 -6.6894 -6.6871 -5.8597 -5.8557 -5.6167 -5.6131 -0.8684 -0.8428 1.0077 1.0277 1.1630 1.1661 6.3012 6.3019 7.3968 7.4079 7.4501 7.4562 7.5457 7.5549 7.9835 8.0060 8.7449 8.7607 9.0524 9.0741 9.2222 9.2316 9.3938 9.4226 12.8729 12.8949 13.9063 13.9121 13.9796 13.9848 15.0460 15.0573 k =-0.1250 0.1247 0.5029 ( 2766 PWs) bands (ev): -46.1771 -46.1771 -22.8884 -22.8874 -22.2418 -22.2412 -22.2254 -22.2235 -14.3395 -14.3395 -6.6704 -6.6679 -5.8566 -5.8523 -5.6234 -5.6196 -0.8778 -0.8502 0.9902 1.0099 1.1558 1.1614 6.2957 6.2964 7.3435 7.3514 7.4379 7.4429 7.5370 7.5467 7.9666 7.9901 8.7032 8.7173 9.1029 9.1236 9.2602 9.2697 9.3782 9.4060 12.9065 12.9289 13.9109 13.9170 13.9864 13.9919 15.1187 15.1302 k =-0.1339 0.1336 0.5029 ( 2758 PWs) bands (ev): -46.1770 -46.1770 -22.8889 -22.8878 -22.2421 -22.2414 -22.2264 -22.2244 -14.3366 -14.3366 -6.6502 -6.6475 -5.8533 -5.8488 -5.6302 -5.6261 -0.8881 -0.8585 0.9709 0.9903 1.1480 1.1562 6.2901 6.2909 7.2920 7.2972 7.4254 7.4296 7.5256 7.5358 7.9510 7.9754 8.6627 8.6751 9.1536 9.1734 9.2973 9.3064 9.3617 9.3886 12.9437 12.9663 13.9163 13.9226 13.9941 13.9999 15.1938 15.2054 k =-0.1429 0.1425 0.5029 ( 2754 PWs) bands (ev): -46.1770 -46.1770 -22.8895 -22.8883 -22.2423 -22.2416 -22.2274 -22.2253 -14.3336 -14.3336 -6.6288 -6.6260 -5.8498 -5.8451 -5.6369 -5.6326 -0.8994 -0.8679 0.9500 0.9689 1.1395 1.1503 6.2845 6.2853 7.2435 7.2460 7.4122 7.4159 7.5113 7.5219 7.9367 7.9619 8.6234 8.6340 9.2041 9.2232 9.3331 9.3401 9.3453 9.3726 12.9841 13.0068 13.9225 13.9290 14.0029 14.0088 15.2708 15.2825 k =-0.1518 0.1514 0.5029 ( 2758 PWs) bands (ev): -46.1769 -46.1769 -22.8901 -22.8889 -22.2427 -22.2419 -22.2286 -22.2264 -14.3305 -14.3304 -6.6063 -6.6034 -5.8461 -5.8412 -5.6436 -5.6390 -0.9117 -0.8783 0.9275 0.9461 1.1299 1.1434 6.2789 6.2797 7.1983 7.1984 7.3984 7.4016 7.4938 7.5047 7.9237 7.9496 8.5854 8.5941 9.2542 9.2729 9.3285 9.3476 9.3691 9.3821 13.0275 13.0502 13.9296 13.9362 14.0126 14.0186 15.3494 15.3612 k =-0.1607 0.1603 0.5029 ( 2758 PWs) bands (ev): -46.1769 -46.1769 -22.8907 -22.8895 -22.2430 -22.2422 -22.2297 -22.2275 -14.3272 -14.3272 -6.5828 -6.5798 -5.8422 -5.8371 -5.6501 -5.6454 -0.9250 -0.8898 0.9038 0.9219 1.1190 1.1351 6.2733 6.2742 7.1546 7.1572 7.3838 7.3866 7.4731 7.4843 7.9119 7.9385 8.5485 8.5554 9.3008 9.3167 9.3218 9.3334 9.4036 9.4140 13.0736 13.0962 13.9375 13.9443 14.0232 14.0294 15.4294 15.4413 k =-0.1696 0.1692 0.5029 ( 2756 PWs) bands (ev): -46.1769 -46.1769 -22.8914 -22.8901 -22.2433 -22.2425 -22.2309 -22.2286 -14.3238 -14.3238 -6.5582 -6.5551 -5.8382 -5.8329 -5.6565 -5.6515 -0.9393 -0.9023 0.8789 0.8966 1.1066 1.1254 6.2679 6.2687 7.1151 7.1203 7.3685 7.3707 7.4492 7.4606 7.9012 7.9285 8.5127 8.5177 9.2990 9.3186 9.3545 9.3714 9.4375 9.4464 13.1221 13.1444 13.9464 13.9533 14.0349 14.0412 15.5105 15.5223 k =-0.1786 0.1781 0.5029 ( 2760 PWs) bands (ev): -46.1768 -46.1768 -22.8921 -22.8907 -22.2436 -22.2428 -22.2322 -22.2298 -14.3204 -14.3203 -6.5327 -6.5295 -5.8341 -5.8286 -5.6625 -5.6573 -0.9546 -0.9159 0.8529 0.8704 1.0925 1.1138 6.2624 6.2634 7.0803 7.0879 7.3522 7.3538 7.4224 7.4337 7.8917 7.9195 8.4776 8.4808 9.2893 9.3070 9.4019 9.4197 9.4710 9.4781 13.1726 13.1947 13.9563 13.9633 14.0475 14.0539 15.5923 15.6040 k =-0.1875 0.1870 0.5029 ( 2760 PWs) bands (ev): -46.1768 -46.1768 -22.8928 -22.8914 -22.2439 -22.2431 -22.2335 -22.2310 -14.3168 -14.3168 -6.5063 -6.5031 -5.8297 -5.8242 -5.6683 -5.6629 -0.9709 -0.9305 0.8261 0.8432 1.0765 1.1003 6.2571 6.2580 7.0502 7.0603 7.3347 7.3356 7.3931 7.4041 7.8831 7.9116 8.4431 8.4446 9.2827 9.2987 9.4480 9.4671 9.5046 9.5091 13.2249 13.2466 13.9673 13.9742 14.0610 14.0674 15.6747 15.6862 k =-0.1964 0.1960 0.5029 ( 2760 PWs) bands (ev): -46.1767 -46.1767 -22.8935 -22.8920 -22.2443 -22.2434 -22.2348 -22.2323 -14.3132 -14.3131 -6.4791 -6.4758 -5.8253 -5.8196 -5.6736 -5.6680 -0.9880 -0.9461 0.7985 0.8153 1.0585 1.0847 6.2518 6.2528 7.0252 7.0378 7.3152 7.3155 7.3623 7.3725 7.8755 7.9045 8.4090 8.4091 9.2800 9.2943 9.4917 9.5136 9.5390 9.5395 13.2786 13.2998 13.9792 13.9861 14.0755 14.0819 15.7573 15.7686 k =-0.2054 0.2049 0.5029 ( 2754 PWs) bands (ev): -46.1767 -46.1767 -22.8941 -22.8927 -22.2446 -22.2437 -22.2361 -22.2335 -14.3095 -14.3094 -6.4512 -6.4478 -5.8208 -5.8150 -5.6785 -5.6728 -1.0061 -0.9627 0.7703 0.7868 1.0384 1.0668 6.2466 6.2476 7.0054 7.0204 7.2910 7.2933 7.3318 7.3403 7.8688 7.8983 8.3739 8.3754 9.2816 9.2943 9.5318 9.5581 9.5702 9.5751 13.3334 13.3541 13.9921 13.9989 14.0908 14.0971 15.8398 15.8509 k =-0.2143 0.2138 0.5029 ( 2750 PWs) bands (ev): -46.1766 -46.1766 -22.8948 -22.8934 -22.2449 -22.2440 -22.2374 -22.2348 -14.3057 -14.3057 -6.4225 -6.4191 -5.8161 -5.8103 -5.6830 -5.6771 -1.0250 -0.9803 0.7415 0.7577 1.0161 1.0467 6.2414 6.2424 6.9909 7.0082 7.2610 7.2661 7.3040 7.3099 7.8628 7.8929 8.3393 8.3422 9.2875 9.2987 9.5680 9.5946 9.6070 9.6134 13.3889 13.4091 14.0060 14.0128 14.1069 14.1132 15.9220 15.9329 k =-0.2232 0.2227 0.5029 ( 2754 PWs) bands (ev): -46.1766 -46.1766 -22.8956 -22.8941 -22.2453 -22.2444 -22.2387 -22.2361 -14.3019 -14.3019 -6.3933 -6.3899 -5.8114 -5.8055 -5.6870 -5.6809 -1.0448 -0.9988 0.7124 0.7283 0.9916 1.0243 6.2361 6.2372 6.9815 7.0011 7.2254 7.2327 7.2792 7.2829 7.8575 7.8881 8.3055 8.3094 9.2979 9.3078 9.6008 9.6238 9.6493 9.6533 13.4448 13.4645 14.0210 14.0275 14.1238 14.1300 16.0036 16.0143 k =-0.2321 0.2316 0.5029 ( 2756 PWs) bands (ev): -46.1765 -46.1765 -22.8963 -22.8948 -22.2456 -22.2448 -22.2401 -22.2374 -14.2981 -14.2981 -6.3635 -6.3602 -5.8066 -5.8007 -5.6904 -5.6842 -1.0652 -1.0181 0.6829 0.6985 0.9650 0.9996 6.2308 6.2319 6.9774 6.9992 7.1860 7.1942 7.2558 7.2584 7.8527 7.8838 8.2727 8.2775 9.3127 9.3213 9.6314 9.6516 9.6912 9.6936 13.5010 13.5200 14.0368 14.0432 14.1414 14.1475 16.0843 16.0948 k =-0.2411 0.2405 0.5029 ( 2760 PWs) bands (ev): -46.1765 -46.1765 -22.8971 -22.8956 -22.2460 -22.2452 -22.2414 -22.2387 -14.2943 -14.2943 -6.3334 -6.3300 -5.8017 -5.7958 -5.6932 -5.6869 -1.0863 -1.0382 0.6533 0.6686 0.9363 0.9726 6.2253 6.2265 6.9782 7.0022 7.1444 7.1528 7.2326 7.2349 7.8484 7.8800 8.2411 8.2466 9.3316 9.3390 9.6606 9.6788 9.7318 9.7334 13.5570 13.5754 14.0536 14.0598 14.1596 14.1656 16.1638 16.1740 k =-0.2500 0.2494 0.5029 ( 2756 PWs) bands (ev): -46.1764 -46.1764 -22.8978 -22.8963 -22.2463 -22.2455 -22.2427 -22.2400 -14.2905 -14.2904 -6.3028 -6.2995 -5.7968 -5.7910 -5.6954 -5.6890 -1.1080 -1.0591 0.6237 0.6386 0.9056 0.9434 6.2196 6.2208 6.9836 7.0096 7.1017 7.1099 7.2090 7.2115 7.8444 7.8765 8.2112 8.2173 9.3543 9.3607 9.6888 9.7055 9.7711 9.7722 13.6127 13.6304 14.0712 14.0772 14.1785 14.1842 16.2417 16.2517 k =-0.2589 0.2583 0.5029 ( 2752 PWs) bands (ev): -46.1763 -46.1763 -22.8985 -22.8970 -22.2467 -22.2460 -22.2439 -22.2414 -14.2866 -14.2866 -6.2720 -6.2687 -5.7919 -5.7861 -5.6971 -5.6906 -1.1303 -1.0806 0.5940 0.6086 0.8731 0.9123 6.2136 6.2148 6.9928 7.0204 7.0594 7.0667 7.1851 7.1878 7.8406 7.8732 8.1833 8.1898 9.3805 9.3861 9.7164 9.7318 9.8089 9.8099 13.6677 13.6848 14.0896 14.0953 14.1978 14.2033 16.3176 16.3274 k =-0.2679 0.2672 0.5029 ( 2756 PWs) bands (ev): -46.1763 -46.1763 -22.8993 -22.8977 -22.2470 -22.2465 -22.2451 -22.2427 -14.2828 -14.2828 -6.2410 -6.2378 -5.7869 -5.7812 -5.6981 -5.6915 -1.1529 -1.1028 0.5645 0.5787 0.8388 0.8792 6.2071 6.2084 7.0016 7.0111 7.0274 7.0405 7.1613 7.1642 7.8371 7.8701 8.1578 8.1645 9.4099 9.4147 9.7436 9.7579 9.8451 9.8461 13.7220 13.7384 14.1087 14.1142 14.2175 14.2228 16.3911 16.4008 k =-0.2768 0.2761 0.5029 ( 2758 PWs) bands (ev): -46.1762 -46.1762 -22.9000 -22.8985 -22.2474 -22.2473 -22.2459 -22.2440 -14.2791 -14.2791 -6.2099 -6.2068 -5.7820 -5.7764 -5.6985 -5.6919 -1.1760 -1.1254 0.5353 0.5490 0.8031 0.8444 6.2001 6.2014 6.9699 6.9744 7.0263 7.0549 7.1396 7.1418 7.8337 7.8670 8.1349 8.1418 9.4420 9.4461 9.7704 9.7837 9.8798 9.8808 13.7752 13.7909 14.1284 14.1336 14.2376 14.2427 16.4617 16.4714 k =-0.2857 0.2850 0.5029 ( 2758 PWs) bands (ev): -46.1762 -46.1762 -22.9007 -22.8992 -22.2484 -22.2478 -22.2465 -22.2453 -14.2754 -14.2753 -6.1788 -6.1758 -5.7770 -5.7716 -5.6983 -5.6917 -1.1993 -1.1485 0.5064 0.5196 0.7660 0.8082 6.1923 6.1936 6.9279 6.9328 7.0381 7.0638 7.1246 7.1275 7.8304 7.8640 8.1149 8.1218 9.4765 9.4800 9.7970 9.8094 9.9129 9.9140 13.8273 13.8422 14.1487 14.1535 14.2580 14.2628 16.5289 16.5388 k =-0.2946 0.2939 0.5029 ( 2758 PWs) bands (ev): -46.1761 -46.1761 -22.9014 -22.8999 -22.2496 -22.2483 -22.2469 -22.2464 -14.2717 -14.2717 -6.1478 -6.1450 -5.7721 -5.7669 -5.6976 -5.6909 -1.2228 -1.1720 0.4779 0.4907 0.7279 0.7707 6.1838 6.1851 6.8869 6.8914 7.0387 7.0532 7.1219 7.1375 7.8274 7.8611 8.0979 8.1046 9.5130 9.5160 9.8235 9.8350 9.9443 9.9456 13.8779 13.8922 14.1693 14.1738 14.2786 14.2830 16.5920 16.6022 k =-0.3036 0.3028 0.5029 ( 2762 PWs) bands (ev): -46.1761 -46.1761 -22.9022 -22.9007 -22.2508 -22.2489 -22.2475 -22.2473 -14.2681 -14.2681 -6.1171 -6.1144 -5.7672 -5.7623 -5.6962 -5.6896 -1.2463 -1.1957 0.4500 0.4622 0.6890 0.7322 6.1743 6.1757 6.8474 6.8513 7.0229 7.0296 7.1381 7.1625 7.8248 7.8585 8.0838 8.0902 9.5512 9.5537 9.8498 9.8605 9.9741 9.9756 13.9271 13.9406 14.1903 14.1944 14.2992 14.3034 16.6504 16.6611 k =-0.3125 0.3117 0.5029 ( 2762 PWs) bands (ev): -46.1760 -46.1760 -22.9028 -22.9014 -22.2520 -22.2498 -22.2482 -22.2476 -14.2646 -14.2646 -6.0866 -6.0842 -5.7624 -5.7578 -5.6943 -5.6878 -1.2699 -1.2196 0.4227 0.4343 0.6496 0.6930 6.1637 6.1651 6.8098 6.8131 6.9983 7.0016 7.1648 7.1935 7.8228 7.8563 8.0725 8.0785 9.5906 9.5927 9.8760 9.8860 10.0023 10.0039 13.9746 13.9874 14.2115 14.2152 14.3198 14.3237 16.7034 16.7149 k =-0.3214 0.3207 0.5029 ( 2758 PWs) bands (ev): -46.1760 -46.1760 -22.9035 -22.9020 -22.2532 -22.2508 -22.2486 -22.2479 -14.2612 -14.2612 -6.0566 -6.0544 -5.7577 -5.7533 -5.6919 -5.6855 -1.2933 -1.2436 0.3962 0.4070 0.6099 0.6534 6.1520 6.1533 6.7742 6.7769 6.9704 6.9719 7.1963 7.2273 7.8216 7.8547 8.0639 8.0693 9.6310 9.6327 9.9023 9.9115 10.0288 10.0307 14.0203 14.0324 14.2327 14.2360 14.3404 14.3439 16.7502 16.7628 k =-0.3304 0.3296 0.5029 ( 2758 PWs) bands (ev): -46.1759 -46.1759 -22.9041 -22.9027 -22.2543 -22.2520 -22.2489 -22.2482 -14.2579 -14.2578 -6.0271 -6.0252 -5.7530 -5.7490 -5.6891 -5.6827 -1.3165 -1.2676 0.3704 0.3805 0.5703 0.6136 6.1390 6.1403 6.7411 6.7432 6.9410 6.9414 7.2303 7.2628 7.8215 7.8541 8.0575 8.0623 9.6719 9.6733 9.9284 9.9370 10.0537 10.0558 14.0641 14.0755 14.2538 14.2568 14.3608 14.3640 16.7902 16.8042 k =-0.3393 0.3385 0.5029 ( 2758 PWs) bands (ev): -46.1759 -46.1759 -22.9047 -22.9034 -22.2554 -22.2531 -22.2493 -22.2486 -14.2547 -14.2546 -5.9983 -5.9967 -5.7484 -5.7448 -5.6858 -5.6796 -1.3394 -1.2914 0.3455 0.3548 0.5309 0.5739 6.1248 6.1260 6.7105 6.7121 6.9107 6.9110 7.2655 7.2989 7.8228 7.8548 8.0532 8.0574 9.7132 9.7143 9.9545 9.9625 10.0771 10.0793 14.1060 14.1167 14.2748 14.2774 14.3809 14.3838 16.8228 16.8386 k =-0.3482 0.3474 0.5029 ( 2754 PWs) bands (ev): -46.1759 -46.1759 -22.9053 -22.9040 -22.2564 -22.2542 -22.2496 -22.2489 -14.2516 -14.2515 -5.9702 -5.9689 -5.7439 -5.7408 -5.6821 -5.6761 -1.3618 -1.3150 0.3215 0.3300 0.4921 0.5346 6.1093 6.1104 6.6826 6.6838 6.8802 6.8809 7.3010 7.3348 7.8258 7.8569 8.0505 8.0541 9.7544 9.7552 9.9806 9.9879 10.0989 10.1013 14.1457 14.1558 14.2955 14.2977 14.4007 14.4032 16.8478 16.8656 k =-0.3571 0.3563 0.5029 ( 2752 PWs) bands (ev): -46.1758 -46.1758 -22.9059 -22.9046 -22.2574 -22.2553 -22.2498 -22.2491 -14.2486 -14.2486 -5.9429 -5.9420 -5.7395 -5.7370 -5.6781 -5.6723 -1.3837 -1.3383 0.2986 0.3062 0.4541 0.4959 6.0927 6.0937 6.6574 6.6582 6.8500 6.8511 7.3361 7.3698 7.8308 7.8609 8.0492 8.0523 9.7952 9.7959 10.0065 10.0133 10.1191 10.1218 14.1834 14.1927 14.3157 14.3175 14.4200 14.4222 16.8652 16.8852 k =-0.3661 0.3652 0.5029 ( 2760 PWs) bands (ev): -46.1758 -46.1758 -22.9065 -22.9053 -22.2584 -22.2564 -22.2501 -22.2494 -14.2458 -14.2458 -5.9166 -5.9162 -5.7353 -5.7333 -5.6739 -5.6683 -1.4049 -1.3611 0.2767 0.2833 0.4172 0.4581 6.0751 6.0760 6.6350 6.6355 6.8205 6.8220 7.3700 7.4032 7.8380 7.8667 8.0490 8.0516 9.8354 9.8359 10.0322 10.0386 10.1379 10.1408 14.2188 14.2275 14.3353 14.3368 14.4388 14.4406 16.8754 16.8976 k =-0.3750 0.3741 0.5029 ( 2764 PWs) bands (ev): -46.1757 -46.1757 -22.9070 -22.9058 -22.2594 -22.2574 -22.2503 -22.2497 -14.2431 -14.2431 -5.8914 -5.8914 -5.7312 -5.7298 -5.6695 -5.6642 -1.4253 -1.3833 0.2561 0.2616 0.3816 0.4215 6.0567 6.0575 6.6151 6.6154 6.7920 6.7936 7.4022 7.4343 7.8476 7.8746 8.0497 8.0519 9.8746 9.8749 10.0576 10.0636 10.1552 10.1584 14.2520 14.2600 14.3543 14.3554 14.4570 14.4585 16.8792 16.9036 k =-0.3839 0.3830 0.5029 ( 2760 PWs) bands (ev): -46.1757 -46.1757 -22.9075 -22.9064 -22.2602 -22.2583 -22.2505 -22.2499 -14.2406 -14.2405 -5.8679 -5.8673 -5.7272 -5.7265 -5.6650 -5.6599 -1.4449 -1.4049 0.2366 0.2410 0.3475 0.3863 6.0379 6.0386 6.5978 6.5978 6.7647 6.7664 7.4321 7.4626 7.8595 7.8846 8.0511 8.0528 9.9126 9.9128 10.0826 10.0883 10.1711 10.1746 14.2829 14.2902 14.3725 14.3733 14.4745 14.4756 16.8777 16.9040 k =-0.3929 0.3919 0.5029 ( 2752 PWs) bands (ev): -46.1757 -46.1757 -22.9079 -22.9069 -22.2609 -22.2592 -22.2507 -22.2502 -14.2382 -14.2382 -5.8458 -5.8446 -5.7234 -5.7234 -5.6603 -5.6556 -1.4634 -1.4256 0.2185 0.2216 0.3152 0.3527 6.0190 6.0195 6.5826 6.5827 6.7387 6.7405 7.4593 7.4878 7.8738 7.8965 8.0530 8.0543 9.9491 9.9492 10.1069 10.1126 10.1857 10.1895 14.3115 14.3182 14.3897 14.3903 14.4911 14.4920 16.8721 16.9000 k =-0.4018 0.4008 0.5029 ( 2752 PWs) bands (ev): -46.1756 -46.1756 -22.9083 -22.9073 -22.2617 -22.2601 -22.2509 -22.2504 -14.2360 -14.2360 -5.8251 -5.8232 -5.7206 -5.7197 -5.6557 -5.6513 -1.4808 -1.4454 0.2017 0.2035 0.2848 0.3210 6.0002 6.0006 6.5695 6.5697 6.7142 6.7161 7.4836 7.5097 7.8900 7.9102 8.0551 8.0562 9.9838 9.9839 10.1305 10.1361 10.1989 10.2032 14.3377 14.3438 14.4060 14.4063 14.5068 14.5075 16.8636 16.8926 k =-0.4107 0.4097 0.5029 ( 2760 PWs) bands (ev): -46.1756 -46.1756 -22.9087 -22.9078 -22.2624 -22.2609 -22.2511 -22.2506 -14.2339 -14.2339 -5.8060 -5.8033 -5.7180 -5.7162 -5.6512 -5.6471 -1.4970 -1.4642 0.1862 0.1867 0.2566 0.2913 5.9818 5.9821 6.5583 6.5586 6.6914 6.6933 7.5050 7.5283 7.9076 7.9252 8.0575 8.0583 10.0165 10.0165 10.1531 10.1588 10.2108 10.2156 14.3616 14.3671 14.4211 14.4212 14.5216 14.5220 16.8534 16.8830 k =-0.4196 0.4186 0.5029 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9091 -22.9083 -22.2630 -22.2617 -22.2513 -22.2509 -14.2321 -14.2321 -5.7885 -5.7850 -5.7156 -5.7128 -5.6469 -5.6431 -1.5118 -1.4817 0.1713 0.1722 0.2307 0.2637 5.9643 5.9644 6.5489 6.5492 6.6704 6.6722 7.5234 7.5439 7.9261 7.9411 8.0600 8.0606 10.0468 10.0469 10.1743 10.1805 10.2214 10.2270 14.3832 14.3881 14.4350 14.4351 14.5353 14.5355 16.8425 16.8722 k =-0.4286 0.4275 0.5029 ( 2772 PWs) bands (ev): -46.1756 -46.1756 -22.9094 -22.9087 -22.2635 -22.2623 -22.2514 -22.2510 -14.2304 -14.2304 -5.7729 -5.7684 -5.7135 -5.7096 -5.6427 -5.6393 -1.5252 -1.4980 0.1573 0.1596 0.2072 0.2385 5.9478 5.9479 6.5409 6.5412 6.6513 6.6531 7.5390 7.5568 7.9448 7.9572 8.0624 8.0629 10.0747 10.0747 10.1939 10.2008 10.2308 10.2373 14.4024 14.4067 14.4475 14.4477 14.5478 14.5479 16.8317 16.8610 k =-0.4375 0.4364 0.5029 ( 2780 PWs) bands (ev): -46.1756 -46.1756 -22.9097 -22.9091 -22.2641 -22.2630 -22.2515 -22.2512 -14.2289 -14.2289 -5.7592 -5.7535 -5.7116 -5.7065 -5.6388 -5.6358 -1.5370 -1.5129 0.1447 0.1484 0.1865 0.2158 5.9326 5.9327 6.5343 6.5346 6.6343 6.6359 7.5522 7.5672 7.9630 7.9731 8.0648 8.0651 10.0998 10.0998 10.2115 10.2196 10.2390 10.2469 14.4193 14.4230 14.4588 14.4591 14.5591 14.5591 16.8218 16.8501 k =-0.4464 0.4454 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9100 -22.9095 -22.2646 -22.2636 -22.2517 -22.2514 -14.2276 -14.2276 -5.7474 -5.7406 -5.7099 -5.7035 -5.6352 -5.6327 -1.5472 -1.5263 0.1337 0.1386 0.1686 0.1957 5.9190 5.9191 6.5288 6.5292 6.6194 6.6208 7.5631 7.5755 7.9800 7.9880 8.0670 8.0671 10.1220 10.1220 10.2267 10.2365 10.2461 10.2559 14.4338 14.4370 14.4687 14.4690 14.5690 14.5691 16.8133 16.8397 k =-0.4554 0.4543 0.5029 ( 2808 PWs) bands (ev): -46.1755 -46.1755 -22.9102 -22.9098 -22.2649 -22.2641 -22.2519 -22.2516 -14.2265 -14.2265 -5.7376 -5.7298 -5.7082 -5.7007 -5.6321 -5.6300 -1.5557 -1.5381 0.1243 0.1300 0.1538 0.1782 5.9072 5.9072 6.5244 6.5247 6.6067 6.6079 7.5720 7.5820 7.9953 8.0015 8.0689 8.0690 10.1411 10.1411 10.2390 10.2505 10.2528 10.2645 14.4461 14.4488 14.4772 14.4775 14.5776 14.5777 16.8064 16.8304 k =-0.4643 0.4632 0.5029 ( 2804 PWs) bands (ev): -46.1755 -46.1755 -22.9104 -22.9100 -22.2651 -22.2645 -22.2519 -22.2517 -14.2256 -14.2256 -5.7298 -5.7214 -5.7062 -5.6981 -5.6294 -5.6277 -1.5624 -1.5482 0.1165 0.1224 0.1425 0.1635 5.8973 5.8973 6.5210 6.5213 6.5962 6.5973 7.5791 7.5869 8.0085 8.0131 8.0706 8.0706 10.1570 10.1570 10.2483 10.2564 10.2644 10.2726 14.4562 14.4583 14.4842 14.4845 14.5847 14.5848 16.8016 16.8222 k =-0.4732 0.4721 0.5029 ( 2804 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9102 -22.2653 -22.2648 -22.2520 -22.2518 -14.2249 -14.2249 -5.7238 -5.7162 -5.7034 -5.6960 -5.6272 -5.6259 -1.5672 -1.5565 0.1105 0.1157 0.1348 0.1514 5.8894 5.8895 6.5184 6.5186 6.5881 6.5889 7.5846 7.5903 8.0192 8.0224 8.0719 8.0719 10.1694 10.1695 10.2550 10.2600 10.2745 10.2797 14.4640 14.4656 14.4897 14.4900 14.5903 14.5904 16.7987 16.8151 k =-0.4821 0.4810 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9103 -22.2654 -22.2651 -22.2520 -22.2519 -14.2244 -14.2244 -5.7194 -5.7139 -5.6999 -5.6945 -5.6255 -5.6246 -1.5702 -1.5630 0.1064 0.1102 0.1306 0.1420 5.8838 5.8838 6.5166 6.5168 6.5823 6.5828 7.5887 7.5925 8.0272 8.0292 8.0728 8.0729 10.1784 10.1784 10.2595 10.2624 10.2821 10.2851 14.4697 14.4707 14.4937 14.4939 14.5943 14.5944 16.7977 16.8092 k =-0.4911 0.4899 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9104 -22.2654 -22.2653 -22.2520 -22.2519 -14.2241 -14.2241 -5.7163 -5.7136 -5.6968 -5.6941 -5.6244 -5.6239 -1.5713 -1.5677 0.1043 0.1062 0.1295 0.1352 5.8804 5.8804 6.5156 6.5157 6.5789 6.5791 7.5915 7.5933 8.0322 8.0331 8.0734 8.0735 10.1838 10.1838 10.2623 10.2636 10.2869 10.2883 14.4732 14.4737 14.4961 14.4962 14.5968 14.5968 16.7984 16.8043 k =-0.5000 0.4988 0.5029 ( 2800 PWs) bands (ev): -46.1755 -46.1755 -22.9105 -22.9105 -22.2654 -22.2654 -22.2520 -22.2520 -14.2240 -14.2240 -5.7144 -5.7144 -5.6948 -5.6948 -5.6239 -5.6239 -1.5704 -1.5704 0.1042 0.1042 0.1311 0.1311 5.8792 5.8792 6.5153 6.5153 6.5778 6.5778 7.5930 7.5930 8.0342 8.0342 8.0736 8.0736 10.1856 10.1856 10.2636 10.2636 10.2890 10.2890 14.4745 14.4745 14.4970 14.4970 14.5976 14.5976 16.8007 16.8007 Writing output data file BaTiO3.save init_run : 4.38s CPU 13.51s WALL ( 1 calls) electrons : 716.19s CPU 724.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 716.07s CPU 724.55s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.90s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.04s CPU 0.51s WALL ( 1 calls) newd : 0.52s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.25s WALL ( 476 calls) cegterg : 686.89s CPU 692.27s WALL ( 1186 calls) Called by sum_band: Called by *egterg: h_psi : 264.17s CPU 275.05s WALL ( 19766 calls) s_psi : 29.60s CPU 30.14s WALL ( 19766 calls) g_psi : 0.66s CPU 0.73s WALL ( 18104 calls) cdiaghg : 287.24s CPU 282.90s WALL ( 18580 calls) cegterg:over : 62.08s CPU 58.76s WALL ( 18104 calls) cegterg:upda : 7.68s CPU 11.57s WALL ( 18104 calls) cegterg:last : 8.07s CPU 9.29s WALL ( 3112 calls) Called by h_psi: h_psi:vloc : 205.85s CPU 215.11s WALL ( 19766 calls) h_psi:vnl : 58.09s CPU 59.24s WALL ( 19766 calls) add_vuspsi : 17.67s CPU 22.03s WALL ( 19766 calls) General routines calbec : 40.36s CPU 37.09s WALL ( 19766 calls) fft : 0.12s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 192.90s CPU 197.61s WALL ( 1731416 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.41s WALL ( 952 calls) Parallel routines fft_scatter : 139.85s CPU 141.44s WALL ( 1731439 calls) PWSCF : 12m56.83s CPU 14m19.59s WALL This run was terminated on: 23:10:47 10Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=