Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:21:32 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Na2TeC2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 51 14 1891 1388 214 Max 63 52 15 1896 1423 218 Sum 2255 1849 535 68179 50597 7803 bravais-lattice index = 14 lattice parameter (alat) = 9.6117 a.u. unit-cell volume = 683.5591 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.611681 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333432 celldm(5)= -0.333432 celldm(6)= -0.333137 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333137 0.942879 0.000000 ) a(3) = ( -0.333432 -0.471439 0.816436 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353319 0.612418 ) b(2) = ( 0.000000 1.060582 0.612418 ) b(3) = ( 0.000000 0.000000 1.224835 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0161162), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0322325), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0483488), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0644650), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0805813), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.0966975), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.1128138), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1289300), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1450463), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1611625), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1772788), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.1933950), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.2095113), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.2256276), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.2417438), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2578601), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2739763), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.2900926), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.3062088), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.3223251), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.3384413), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.3545576), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.3706738), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.3867901), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.4029063), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.4190226), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.4351388), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.4512551), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.4673713), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.4834876), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.4996039), wk = 0.0029674 k( 33) = ( 0.0000000 0.0000000 0.5157201), wk = 0.0029674 k( 34) = ( 0.0000000 0.0000000 0.5318364), wk = 0.0029674 k( 35) = ( 0.0000000 0.0000000 0.5479526), wk = 0.0029674 k( 36) = ( 0.0000000 0.0000000 0.5640689), wk = 0.0029674 k( 37) = ( 0.0000000 0.0000000 0.5801851), wk = 0.0029674 k( 38) = ( 0.0000000 0.0000000 0.5963014), wk = 0.0029674 k( 39) = ( 0.0000000 0.0000000 0.6124176), wk = 0.0029674 k( 40) = ( 0.0000000 0.0000000 0.6124176), wk = 0.0029674 k( 41) = ( -0.0131521 0.0093020 0.6124176), wk = 0.0029674 k( 42) = ( -0.0263041 0.0186040 0.6124176), wk = 0.0029674 k( 43) = ( -0.0394562 0.0279059 0.6124176), wk = 0.0029674 k( 44) = ( -0.0526083 0.0372079 0.6124176), wk = 0.0029674 k( 45) = ( -0.0657604 0.0465099 0.6124176), wk = 0.0029674 k( 46) = ( -0.0789124 0.0558119 0.6124176), wk = 0.0029674 k( 47) = ( -0.0920645 0.0651138 0.6124176), wk = 0.0029674 k( 48) = ( -0.1052166 0.0744158 0.6124176), wk = 0.0029674 k( 49) = ( -0.1183686 0.0837178 0.6124176), wk = 0.0029674 k( 50) = ( -0.1315207 0.0930198 0.6124176), wk = 0.0029674 k( 51) = ( -0.1446728 0.1023217 0.6124176), wk = 0.0029674 k( 52) = ( -0.1578249 0.1116237 0.6124176), wk = 0.0029674 k( 53) = ( -0.1709769 0.1209257 0.6124176), wk = 0.0029674 k( 54) = ( -0.1841290 0.1302277 0.6124176), wk = 0.0029674 k( 55) = ( -0.1972811 0.1395297 0.6124176), wk = 0.0029674 k( 56) = ( -0.2104331 0.1488316 0.6124176), wk = 0.0029674 k( 57) = ( -0.2235852 0.1581336 0.6124176), wk = 0.0029674 k( 58) = ( -0.2367373 0.1674356 0.6124176), wk = 0.0029674 k( 59) = ( -0.2498894 0.1767376 0.6124176), wk = 0.0029674 k( 60) = ( -0.2630414 0.1860396 0.6124176), wk = 0.0029674 k( 61) = ( -0.2761935 0.1953415 0.6124176), wk = 0.0029674 k( 62) = ( -0.2893456 0.2046435 0.6124176), wk = 0.0029674 k( 63) = ( -0.3024976 0.2139455 0.6124176), wk = 0.0029674 k( 64) = ( -0.3156497 0.2232475 0.6124176), wk = 0.0029674 k( 65) = ( -0.3288018 0.2325494 0.6124176), wk = 0.0029674 k( 66) = ( -0.3419539 0.2418514 0.6124176), wk = 0.0029674 k( 67) = ( -0.3551059 0.2511534 0.6124176), wk = 0.0029674 k( 68) = ( -0.3682580 0.2604554 0.6124176), wk = 0.0029674 k( 69) = ( -0.3814101 0.2697573 0.6124176), wk = 0.0029674 k( 70) = ( -0.3945621 0.2790593 0.6124176), wk = 0.0029674 k( 71) = ( -0.4077142 0.2883613 0.6124176), wk = 0.0029674 k( 72) = ( -0.4208663 0.2976633 0.6124176), wk = 0.0029674 k( 73) = ( -0.4340183 0.3069653 0.6124176), wk = 0.0029674 k( 74) = ( -0.4471704 0.3162672 0.6124176), wk = 0.0029674 k( 75) = ( -0.4603225 0.3255692 0.6124176), wk = 0.0029674 k( 76) = ( -0.4734746 0.3348712 0.6124176), wk = 0.0029674 k( 77) = ( -0.4866266 0.3441732 0.6124176), wk = 0.0029674 k( 78) = ( -0.4997787 0.3534751 0.6124176), wk = 0.0029674 k( 79) = ( -0.4997787 0.3534751 0.6124176), wk = 0.0029674 k( 80) = ( -0.4998894 0.3535534 0.6122821), wk = 0.0029674 k( 81) = ( -0.4998894 0.3535534 0.6122821), wk = 0.0029674 k( 82) = ( -0.4906321 0.3470061 0.6009435), wk = 0.0029674 k( 83) = ( -0.4813749 0.3404588 0.5896050), wk = 0.0029674 k( 84) = ( -0.4721177 0.3339115 0.5782664), wk = 0.0029674 k( 85) = ( -0.4628605 0.3273643 0.5669279), wk = 0.0029674 k( 86) = ( -0.4536033 0.3208170 0.5555893), wk = 0.0029674 k( 87) = ( -0.4443461 0.3142697 0.5442508), wk = 0.0029674 k( 88) = ( -0.4350889 0.3077224 0.5329122), wk = 0.0029674 k( 89) = ( -0.4258317 0.3011751 0.5215736), wk = 0.0029674 k( 90) = ( -0.4165745 0.2946278 0.5102351), wk = 0.0029674 k( 91) = ( -0.4073173 0.2880805 0.4988965), wk = 0.0029674 k( 92) = ( -0.3980600 0.2815333 0.4875580), wk = 0.0029674 k( 93) = ( -0.3888028 0.2749860 0.4762194), wk = 0.0029674 k( 94) = ( -0.3795456 0.2684387 0.4648809), wk = 0.0029674 k( 95) = ( -0.3702884 0.2618914 0.4535423), wk = 0.0029674 k( 96) = ( -0.3610312 0.2553441 0.4422037), wk = 0.0029674 k( 97) = ( -0.3517740 0.2487968 0.4308652), wk = 0.0029674 k( 98) = ( -0.3425168 0.2422496 0.4195266), wk = 0.0029674 k( 99) = ( -0.3332596 0.2357023 0.4081881), wk = 0.0029674 k( 100) = ( -0.3240024 0.2291550 0.3968495), wk = 0.0029674 k( 101) = ( -0.3147451 0.2226077 0.3855110), wk = 0.0029674 k( 102) = ( -0.3054879 0.2160604 0.3741724), wk = 0.0029674 k( 103) = ( -0.2962307 0.2095131 0.3628338), wk = 0.0029674 k( 104) = ( -0.2869735 0.2029658 0.3514953), wk = 0.0029674 k( 105) = ( -0.2777163 0.1964186 0.3401567), wk = 0.0029674 k( 106) = ( -0.2684591 0.1898713 0.3288182), wk = 0.0029674 k( 107) = ( -0.2592019 0.1833240 0.3174796), wk = 0.0029674 k( 108) = ( -0.2499447 0.1767767 0.3061411), wk = 0.0029674 k( 109) = ( -0.2406875 0.1702294 0.2948025), wk = 0.0029674 k( 110) = ( -0.2314303 0.1636821 0.2834639), wk = 0.0029674 k( 111) = ( -0.2221731 0.1571348 0.2721254), wk = 0.0029674 k( 112) = ( -0.2129158 0.1505876 0.2607868), wk = 0.0029674 k( 113) = ( -0.2036586 0.1440403 0.2494483), wk = 0.0029674 k( 114) = ( -0.1944014 0.1374930 0.2381097), wk = 0.0029674 k( 115) = ( -0.1851442 0.1309457 0.2267712), wk = 0.0029674 k( 116) = ( -0.1758870 0.1243984 0.2154326), wk = 0.0029674 k( 117) = ( -0.1666298 0.1178511 0.2040940), wk = 0.0029674 k( 118) = ( -0.1573726 0.1113038 0.1927555), wk = 0.0029674 k( 119) = ( -0.1481154 0.1047566 0.1814169), wk = 0.0029674 k( 120) = ( -0.1388582 0.0982093 0.1700784), wk = 0.0029674 k( 121) = ( -0.1296009 0.0916620 0.1587398), wk = 0.0029674 k( 122) = ( -0.1203437 0.0851147 0.1474012), wk = 0.0029674 k( 123) = ( -0.1110865 0.0785674 0.1360627), wk = 0.0029674 k( 124) = ( -0.1018293 0.0720201 0.1247241), wk = 0.0029674 k( 125) = ( -0.0925721 0.0654728 0.1133856), wk = 0.0029674 k( 126) = ( -0.0833149 0.0589256 0.1020470), wk = 0.0029674 k( 127) = ( -0.0740577 0.0523783 0.0907085), wk = 0.0029674 k( 128) = ( -0.0648005 0.0458310 0.0793699), wk = 0.0029674 k( 129) = ( -0.0555433 0.0392837 0.0680313), wk = 0.0029674 k( 130) = ( -0.0462861 0.0327364 0.0566928), wk = 0.0029674 k( 131) = ( -0.0370288 0.0261891 0.0453542), wk = 0.0029674 k( 132) = ( -0.0277716 0.0196419 0.0340157), wk = 0.0029674 k( 133) = ( -0.0185144 0.0130946 0.0226771), wk = 0.0029674 k( 134) = ( -0.0092572 0.0065473 0.0113386), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 137) = ( 0.0092593 0.0130917 0.0000000), wk = 0.0029674 k( 138) = ( 0.0185185 0.0261833 0.0000000), wk = 0.0029674 k( 139) = ( 0.0277778 0.0392750 0.0000000), wk = 0.0029674 k( 140) = ( 0.0370370 0.0523667 0.0000000), wk = 0.0029674 k( 141) = ( 0.0462963 0.0654584 0.0000000), wk = 0.0029674 k( 142) = ( 0.0555556 0.0785500 0.0000000), wk = 0.0029674 k( 143) = ( 0.0648148 0.0916417 0.0000000), wk = 0.0029674 k( 144) = ( 0.0740741 0.1047334 0.0000000), wk = 0.0029674 k( 145) = ( 0.0833333 0.1178250 0.0000000), wk = 0.0029674 k( 146) = ( 0.0925926 0.1309167 0.0000000), wk = 0.0029674 k( 147) = ( 0.1018518 0.1440084 0.0000000), wk = 0.0029674 k( 148) = ( 0.1111111 0.1571001 0.0000000), wk = 0.0029674 k( 149) = ( 0.1203704 0.1701917 0.0000000), wk = 0.0029674 k( 150) = ( 0.1296296 0.1832834 0.0000000), wk = 0.0029674 k( 151) = ( 0.1388889 0.1963751 0.0000000), wk = 0.0029674 k( 152) = ( 0.1481482 0.2094668 0.0000000), wk = 0.0029674 k( 153) = ( 0.1574074 0.2225584 0.0000000), wk = 0.0029674 k( 154) = ( 0.1666667 0.2356501 0.0000000), wk = 0.0029674 k( 155) = ( 0.1759259 0.2487418 0.0000000), wk = 0.0029674 k( 156) = ( 0.1851852 0.2618334 0.0000000), wk = 0.0029674 k( 157) = ( 0.1944444 0.2749251 0.0000000), wk = 0.0029674 k( 158) = ( 0.2037037 0.2880168 0.0000000), wk = 0.0029674 k( 159) = ( 0.2129630 0.3011085 0.0000000), wk = 0.0029674 k( 160) = ( 0.2222222 0.3142001 0.0000000), wk = 0.0029674 k( 161) = ( 0.2314815 0.3272918 0.0000000), wk = 0.0029674 k( 162) = ( 0.2407407 0.3403835 0.0000000), wk = 0.0029674 k( 163) = ( 0.2500000 0.3534751 0.0000000), wk = 0.0029674 k( 164) = ( 0.2592593 0.3665668 0.0000000), wk = 0.0029674 k( 165) = ( 0.2685185 0.3796585 0.0000000), wk = 0.0029674 k( 166) = ( 0.2777778 0.3927502 0.0000000), wk = 0.0029674 k( 167) = ( 0.2870370 0.4058418 0.0000000), wk = 0.0029674 k( 168) = ( 0.2962963 0.4189335 0.0000000), wk = 0.0029674 k( 169) = ( 0.3055556 0.4320252 0.0000000), wk = 0.0029674 k( 170) = ( 0.3148148 0.4451168 0.0000000), wk = 0.0029674 k( 171) = ( 0.3240741 0.4582085 0.0000000), wk = 0.0029674 k( 172) = ( 0.3333333 0.4713002 0.0000000), wk = 0.0029674 k( 173) = ( 0.3425926 0.4843919 0.0000000), wk = 0.0029674 k( 174) = ( 0.3518519 0.4974835 0.0000000), wk = 0.0029674 k( 175) = ( 0.3611111 0.5105752 0.0000000), wk = 0.0029674 k( 176) = ( 0.3703704 0.5236669 0.0000000), wk = 0.0029674 k( 177) = ( 0.3796296 0.5367586 0.0000000), wk = 0.0029674 k( 178) = ( 0.3888889 0.5498502 0.0000000), wk = 0.0029674 k( 179) = ( 0.3981481 0.5629419 0.0000000), wk = 0.0029674 k( 180) = ( 0.4074074 0.5760336 0.0000000), wk = 0.0029674 k( 181) = ( 0.4166667 0.5891252 0.0000000), wk = 0.0029674 k( 182) = ( 0.4259259 0.6022169 0.0000000), wk = 0.0029674 k( 183) = ( 0.4351852 0.6153086 0.0000000), wk = 0.0029674 k( 184) = ( 0.4444444 0.6284003 0.0000000), wk = 0.0029674 k( 185) = ( 0.4537037 0.6414919 0.0000000), wk = 0.0029674 k( 186) = ( 0.4629630 0.6545836 0.0000000), wk = 0.0029674 k( 187) = ( 0.4722222 0.6676753 0.0000000), wk = 0.0029674 k( 188) = ( 0.4814815 0.6807669 0.0000000), wk = 0.0029674 k( 189) = ( 0.4907407 0.6938586 0.0000000), wk = 0.0029674 k( 190) = ( 0.5000000 0.7069503 0.0000000), wk = 0.0029674 k( 191) = ( 0.5000000 0.7069503 0.0000000), wk = 0.0029674 k( 192) = ( 0.4998894 0.7070285 0.0001355), wk = 0.0029674 k( 193) = ( 0.4998894 0.7070285 0.0001355), wk = 0.0029674 k( 194) = ( 0.4867344 0.7023776 0.0081901), wk = 0.0029674 k( 195) = ( 0.4735794 0.6977266 0.0162446), wk = 0.0029674 k( 196) = ( 0.4604244 0.6930756 0.0242992), wk = 0.0029674 k( 197) = ( 0.4472694 0.6884246 0.0323538), wk = 0.0029674 k( 198) = ( 0.4341144 0.6837736 0.0404083), wk = 0.0029674 k( 199) = ( 0.4209595 0.6791226 0.0484629), wk = 0.0029674 k( 200) = ( 0.4078045 0.6744716 0.0565174), wk = 0.0029674 k( 201) = ( 0.3946495 0.6698206 0.0645720), wk = 0.0029674 k( 202) = ( 0.3814945 0.6651696 0.0726266), wk = 0.0029674 k( 203) = ( 0.3683395 0.6605187 0.0806811), wk = 0.0029674 k( 204) = ( 0.3551845 0.6558677 0.0887357), wk = 0.0029674 k( 205) = ( 0.3420296 0.6512167 0.0967902), wk = 0.0029674 k( 206) = ( 0.3288746 0.6465657 0.1048448), wk = 0.0029674 k( 207) = ( 0.3157196 0.6419147 0.1128994), wk = 0.0029674 k( 208) = ( 0.3025646 0.6372637 0.1209539), wk = 0.0029674 k( 209) = ( 0.2894096 0.6326127 0.1290085), wk = 0.0029674 k( 210) = ( 0.2762546 0.6279617 0.1370631), wk = 0.0029674 k( 211) = ( 0.2630997 0.6233107 0.1451176), wk = 0.0029674 k( 212) = ( 0.2499447 0.6186598 0.1531722), wk = 0.0029674 k( 213) = ( 0.2367897 0.6140088 0.1612267), wk = 0.0029674 k( 214) = ( 0.2236347 0.6093578 0.1692813), wk = 0.0029674 k( 215) = ( 0.2104797 0.6047068 0.1773358), wk = 0.0029674 k( 216) = ( 0.1973247 0.6000558 0.1853904), wk = 0.0029674 k( 217) = ( 0.1841698 0.5954048 0.1934450), wk = 0.0029674 k( 218) = ( 0.1710148 0.5907538 0.2014995), wk = 0.0029674 k( 219) = ( 0.1578598 0.5861028 0.2095541), wk = 0.0029674 k( 220) = ( 0.1447048 0.5814518 0.2176087), wk = 0.0029674 k( 221) = ( 0.1315498 0.5768009 0.2256632), wk = 0.0029674 k( 222) = ( 0.1183948 0.5721499 0.2337178), wk = 0.0029674 k( 223) = ( 0.1052399 0.5674989 0.2417723), wk = 0.0029674 k( 224) = ( 0.0920849 0.5628479 0.2498269), wk = 0.0029674 k( 225) = ( 0.0789299 0.5581969 0.2578814), wk = 0.0029674 k( 226) = ( 0.0657749 0.5535459 0.2659360), wk = 0.0029674 k( 227) = ( 0.0526199 0.5488949 0.2739906), wk = 0.0029674 k( 228) = ( 0.0394649 0.5442439 0.2820451), wk = 0.0029674 k( 229) = ( 0.0263100 0.5395929 0.2900997), wk = 0.0029674 k( 230) = ( 0.0131550 0.5349420 0.2981543), wk = 0.0029674 k( 231) = ( 0.0000000 0.5302910 0.3062088), wk = 0.0029674 k( 232) = ( 0.0000000 0.5302910 0.3062088), wk = 0.0029674 k( 233) = ( 0.0092593 0.5237422 0.3175499), wk = 0.0029674 k( 234) = ( 0.0185185 0.5171935 0.3288909), wk = 0.0029674 k( 235) = ( 0.0277778 0.5106448 0.3402320), wk = 0.0029674 k( 236) = ( 0.0370370 0.5040960 0.3515731), wk = 0.0029674 k( 237) = ( 0.0462963 0.4975473 0.3629142), wk = 0.0029674 k( 238) = ( 0.0555556 0.4909986 0.3742552), wk = 0.0029674 k( 239) = ( 0.0648148 0.4844498 0.3855963), wk = 0.0029674 k( 240) = ( 0.0740741 0.4779011 0.3969373), wk = 0.0029674 k( 241) = ( 0.0833333 0.4713524 0.4082784), wk = 0.0029674 k( 242) = ( 0.0925926 0.4648036 0.4196195), wk = 0.0029674 k( 243) = ( 0.1018518 0.4582549 0.4309605), wk = 0.0029674 k( 244) = ( 0.1111111 0.4517062 0.4423016), wk = 0.0029674 k( 245) = ( 0.1203704 0.4451574 0.4536427), wk = 0.0029674 k( 246) = ( 0.1296296 0.4386087 0.4649838), wk = 0.0029674 k( 247) = ( 0.1388889 0.4320600 0.4763248), wk = 0.0029674 k( 248) = ( 0.1481482 0.4255112 0.4876659), wk = 0.0029674 k( 249) = ( 0.1574074 0.4189625 0.4990070), wk = 0.0029674 k( 250) = ( 0.1666667 0.4124138 0.5103480), wk = 0.0029674 k( 251) = ( 0.1759259 0.4058650 0.5216891), wk = 0.0029674 k( 252) = ( 0.1851852 0.3993163 0.5330302), wk = 0.0029674 k( 253) = ( 0.1944444 0.3927676 0.5443712), wk = 0.0029674 k( 254) = ( 0.2037037 0.3862188 0.5557123), wk = 0.0029674 k( 255) = ( 0.2129630 0.3796701 0.5670534), wk = 0.0029674 k( 256) = ( 0.2222222 0.3731213 0.5783944), wk = 0.0029674 k( 257) = ( 0.2314815 0.3665726 0.5897355), wk = 0.0029674 k( 258) = ( 0.2407407 0.3600239 0.6010766), wk = 0.0029674 k( 259) = ( 0.2500000 0.3534751 0.6124176), wk = 0.0029674 k( 260) = ( 0.2500000 0.3534751 0.6124176), wk = 0.0029674 k( 261) = ( 0.2553191 0.3609959 0.5993932), wk = 0.0029674 k( 262) = ( 0.2606383 0.3685166 0.5863688), wk = 0.0029674 k( 263) = ( 0.2659574 0.3760374 0.5733444), wk = 0.0029674 k( 264) = ( 0.2712766 0.3835581 0.5603201), wk = 0.0029674 k( 265) = ( 0.2765957 0.3910789 0.5472956), wk = 0.0029674 k( 266) = ( 0.2819149 0.3985996 0.5342712), wk = 0.0029674 k( 267) = ( 0.2872340 0.4061204 0.5212469), wk = 0.0029674 k( 268) = ( 0.2925532 0.4136411 0.5082225), wk = 0.0029674 k( 269) = ( 0.2978723 0.4211619 0.4951981), wk = 0.0029674 k( 270) = ( 0.3031915 0.4286826 0.4821737), wk = 0.0029674 k( 271) = ( 0.3085106 0.4362034 0.4691493), wk = 0.0029674 k( 272) = ( 0.3138298 0.4437241 0.4561249), wk = 0.0029674 k( 273) = ( 0.3191489 0.4512449 0.4431005), wk = 0.0029674 k( 274) = ( 0.3244681 0.4587656 0.4300761), wk = 0.0029674 k( 275) = ( 0.3297872 0.4662864 0.4170517), wk = 0.0029674 k( 276) = ( 0.3351064 0.4738071 0.4040273), wk = 0.0029674 k( 277) = ( 0.3404255 0.4813279 0.3910029), wk = 0.0029674 k( 278) = ( 0.3457447 0.4888486 0.3779785), wk = 0.0029674 k( 279) = ( 0.3510638 0.4963694 0.3649541), wk = 0.0029674 k( 280) = ( 0.3563830 0.5038901 0.3519297), wk = 0.0029674 k( 281) = ( 0.3617021 0.5114109 0.3389053), wk = 0.0029674 k( 282) = ( 0.3670213 0.5189316 0.3258809), wk = 0.0029674 k( 283) = ( 0.3723404 0.5264523 0.3128565), wk = 0.0029674 k( 284) = ( 0.3776596 0.5339731 0.2998321), wk = 0.0029674 k( 285) = ( 0.3829787 0.5414938 0.2868077), wk = 0.0029674 k( 286) = ( 0.3882979 0.5490146 0.2737833), wk = 0.0029674 k( 287) = ( 0.3936170 0.5565353 0.2607589), wk = 0.0029674 k( 288) = ( 0.3989362 0.5640561 0.2477346), wk = 0.0029674 k( 289) = ( 0.4042553 0.5715768 0.2347102), wk = 0.0029674 k( 290) = ( 0.4095745 0.5790976 0.2216858), wk = 0.0029674 k( 291) = ( 0.4148936 0.5866183 0.2086614), wk = 0.0029674 k( 292) = ( 0.4202128 0.5941391 0.1956370), wk = 0.0029674 k( 293) = ( 0.4255319 0.6016598 0.1826126), wk = 0.0029674 k( 294) = ( 0.4308511 0.6091806 0.1695882), wk = 0.0029674 k( 295) = ( 0.4361702 0.6167013 0.1565638), wk = 0.0029674 k( 296) = ( 0.4414894 0.6242221 0.1435394), wk = 0.0029674 k( 297) = ( 0.4468085 0.6317428 0.1305150), wk = 0.0029674 k( 298) = ( 0.4521277 0.6392636 0.1174906), wk = 0.0029674 k( 299) = ( 0.4574468 0.6467843 0.1044662), wk = 0.0029674 k( 300) = ( 0.4627660 0.6543051 0.0914418), wk = 0.0029674 k( 301) = ( 0.4680851 0.6618258 0.0784174), wk = 0.0029674 k( 302) = ( 0.4734043 0.6693466 0.0653930), wk = 0.0029674 k( 303) = ( 0.4787234 0.6768673 0.0523686), wk = 0.0029674 k( 304) = ( 0.4840426 0.6843880 0.0393442), wk = 0.0029674 k( 305) = ( 0.4893617 0.6919088 0.0263198), wk = 0.0029674 k( 306) = ( 0.4946809 0.6994295 0.0132954), wk = 0.0029674 k( 307) = ( 0.5000000 0.7069503 0.0002710), wk = 0.0029674 k( 308) = ( 0.5000000 0.7069503 0.0002710), wk = 0.0029674 k( 309) = ( 0.5000000 0.7069503 0.0000000), wk = 0.0029674 k( 310) = ( 0.0000000 0.0000000 0.6124176), wk = 0.0029674 k( 311) = ( 0.0092593 0.0130917 0.6124176), wk = 0.0029674 k( 312) = ( 0.0185185 0.0261833 0.6124176), wk = 0.0029674 k( 313) = ( 0.0277778 0.0392750 0.6124176), wk = 0.0029674 k( 314) = ( 0.0370370 0.0523667 0.6124176), wk = 0.0029674 k( 315) = ( 0.0462963 0.0654584 0.6124176), wk = 0.0029674 k( 316) = ( 0.0555556 0.0785500 0.6124176), wk = 0.0029674 k( 317) = ( 0.0648148 0.0916417 0.6124176), wk = 0.0029674 k( 318) = ( 0.0740741 0.1047334 0.6124176), wk = 0.0029674 k( 319) = ( 0.0833333 0.1178250 0.6124176), wk = 0.0029674 k( 320) = ( 0.0925926 0.1309167 0.6124176), wk = 0.0029674 k( 321) = ( 0.1018518 0.1440084 0.6124176), wk = 0.0029674 k( 322) = ( 0.1111111 0.1571001 0.6124176), wk = 0.0029674 k( 323) = ( 0.1203704 0.1701917 0.6124176), wk = 0.0029674 k( 324) = ( 0.1296296 0.1832834 0.6124176), wk = 0.0029674 k( 325) = ( 0.1388889 0.1963751 0.6124176), wk = 0.0029674 k( 326) = ( 0.1481482 0.2094668 0.6124176), wk = 0.0029674 k( 327) = ( 0.1574074 0.2225584 0.6124176), wk = 0.0029674 k( 328) = ( 0.1666667 0.2356501 0.6124176), wk = 0.0029674 k( 329) = ( 0.1759259 0.2487418 0.6124176), wk = 0.0029674 k( 330) = ( 0.1851852 0.2618334 0.6124176), wk = 0.0029674 k( 331) = ( 0.1944444 0.2749251 0.6124176), wk = 0.0029674 k( 332) = ( 0.2037037 0.2880168 0.6124176), wk = 0.0029674 k( 333) = ( 0.2129630 0.3011085 0.6124176), wk = 0.0029674 k( 334) = ( 0.2222222 0.3142001 0.6124176), wk = 0.0029674 k( 335) = ( 0.2314815 0.3272918 0.6124176), wk = 0.0029674 k( 336) = ( 0.2407407 0.3403835 0.6124176), wk = 0.0029674 k( 337) = ( 0.2500000 0.3534751 0.6124176), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0029674 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0029674 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0029674 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0029674 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0029674 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0029674 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0029674 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0029674 k( 10) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0029674 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0029674 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0029674 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0029674 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0029674 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0029674 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0029674 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0029674 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0029674 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0029674 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0029674 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0029674 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0029674 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0029674 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0029674 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0029674 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0029674 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0029674 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0029674 k( 30) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0029674 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0029674 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0029674 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0029674 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0029674 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0029674 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0029674 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0029674 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0029674 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 41) = ( -0.0131521 0.0131521 0.5000000), wk = 0.0029674 k( 42) = ( -0.0263041 0.0263041 0.5000000), wk = 0.0029674 k( 43) = ( -0.0394562 0.0394562 0.5000000), wk = 0.0029674 k( 44) = ( -0.0526083 0.0526083 0.5000000), wk = 0.0029674 k( 45) = ( -0.0657604 0.0657604 0.5000000), wk = 0.0029674 k( 46) = ( -0.0789124 0.0789124 0.5000000), wk = 0.0029674 k( 47) = ( -0.0920645 0.0920645 0.5000000), wk = 0.0029674 k( 48) = ( -0.1052166 0.1052166 0.5000000), wk = 0.0029674 k( 49) = ( -0.1183686 0.1183686 0.5000000), wk = 0.0029674 k( 50) = ( -0.1315207 0.1315207 0.5000000), wk = 0.0029674 k( 51) = ( -0.1446728 0.1446728 0.5000000), wk = 0.0029674 k( 52) = ( -0.1578249 0.1578249 0.5000000), wk = 0.0029674 k( 53) = ( -0.1709769 0.1709769 0.5000000), wk = 0.0029674 k( 54) = ( -0.1841290 0.1841290 0.5000000), wk = 0.0029674 k( 55) = ( -0.1972811 0.1972811 0.5000000), wk = 0.0029674 k( 56) = ( -0.2104331 0.2104331 0.5000000), wk = 0.0029674 k( 57) = ( -0.2235852 0.2235852 0.5000000), wk = 0.0029674 k( 58) = ( -0.2367373 0.2367373 0.5000000), wk = 0.0029674 k( 59) = ( -0.2498894 0.2498894 0.5000000), wk = 0.0029674 k( 60) = ( -0.2630414 0.2630414 0.5000000), wk = 0.0029674 k( 61) = ( -0.2761935 0.2761935 0.5000000), wk = 0.0029674 k( 62) = ( -0.2893456 0.2893456 0.5000000), wk = 0.0029674 k( 63) = ( -0.3024976 0.3024976 0.5000000), wk = 0.0029674 k( 64) = ( -0.3156497 0.3156497 0.5000000), wk = 0.0029674 k( 65) = ( -0.3288018 0.3288018 0.5000000), wk = 0.0029674 k( 66) = ( -0.3419539 0.3419539 0.5000000), wk = 0.0029674 k( 67) = ( -0.3551059 0.3551059 0.5000000), wk = 0.0029674 k( 68) = ( -0.3682580 0.3682580 0.5000000), wk = 0.0029674 k( 69) = ( -0.3814101 0.3814101 0.5000000), wk = 0.0029674 k( 70) = ( -0.3945621 0.3945621 0.5000000), wk = 0.0029674 k( 71) = ( -0.4077142 0.4077142 0.5000000), wk = 0.0029674 k( 72) = ( -0.4208663 0.4208663 0.5000000), wk = 0.0029674 k( 73) = ( -0.4340183 0.4340183 0.5000000), wk = 0.0029674 k( 74) = ( -0.4471704 0.4471704 0.5000000), wk = 0.0029674 k( 75) = ( -0.4603225 0.4603225 0.5000000), wk = 0.0029674 k( 76) = ( -0.4734746 0.4734746 0.5000000), wk = 0.0029674 k( 77) = ( -0.4866266 0.4866266 0.5000000), wk = 0.0029674 k( 78) = ( -0.4997787 0.4997787 0.5000000), wk = 0.0029674 k( 79) = ( -0.4997787 0.4997787 0.5000000), wk = 0.0029674 k( 80) = ( -0.4998894 0.4998894 0.4998894), wk = 0.0029674 k( 81) = ( -0.4998894 0.4998894 0.4998894), wk = 0.0029674 k( 82) = ( -0.4906321 0.4906321 0.4906321), wk = 0.0029674 k( 83) = ( -0.4813749 0.4813749 0.4813749), wk = 0.0029674 k( 84) = ( -0.4721177 0.4721177 0.4721177), wk = 0.0029674 k( 85) = ( -0.4628605 0.4628605 0.4628605), wk = 0.0029674 k( 86) = ( -0.4536033 0.4536033 0.4536033), wk = 0.0029674 k( 87) = ( -0.4443461 0.4443461 0.4443461), wk = 0.0029674 k( 88) = ( -0.4350889 0.4350889 0.4350889), wk = 0.0029674 k( 89) = ( -0.4258317 0.4258317 0.4258317), wk = 0.0029674 k( 90) = ( -0.4165745 0.4165745 0.4165745), wk = 0.0029674 k( 91) = ( -0.4073173 0.4073173 0.4073173), wk = 0.0029674 k( 92) = ( -0.3980600 0.3980600 0.3980600), wk = 0.0029674 k( 93) = ( -0.3888028 0.3888028 0.3888028), wk = 0.0029674 k( 94) = ( -0.3795456 0.3795456 0.3795456), wk = 0.0029674 k( 95) = ( -0.3702884 0.3702884 0.3702884), wk = 0.0029674 k( 96) = ( -0.3610312 0.3610312 0.3610312), wk = 0.0029674 k( 97) = ( -0.3517740 0.3517740 0.3517740), wk = 0.0029674 k( 98) = ( -0.3425168 0.3425168 0.3425168), wk = 0.0029674 k( 99) = ( -0.3332596 0.3332596 0.3332596), wk = 0.0029674 k( 100) = ( -0.3240024 0.3240024 0.3240024), wk = 0.0029674 k( 101) = ( -0.3147451 0.3147451 0.3147452), wk = 0.0029674 k( 102) = ( -0.3054879 0.3054879 0.3054879), wk = 0.0029674 k( 103) = ( -0.2962307 0.2962307 0.2962307), wk = 0.0029674 k( 104) = ( -0.2869735 0.2869735 0.2869735), wk = 0.0029674 k( 105) = ( -0.2777163 0.2777163 0.2777163), wk = 0.0029674 k( 106) = ( -0.2684591 0.2684591 0.2684591), wk = 0.0029674 k( 107) = ( -0.2592019 0.2592019 0.2592019), wk = 0.0029674 k( 108) = ( -0.2499447 0.2499447 0.2499447), wk = 0.0029674 k( 109) = ( -0.2406875 0.2406875 0.2406875), wk = 0.0029674 k( 110) = ( -0.2314303 0.2314303 0.2314303), wk = 0.0029674 k( 111) = ( -0.2221731 0.2221731 0.2221731), wk = 0.0029674 k( 112) = ( -0.2129158 0.2129158 0.2129158), wk = 0.0029674 k( 113) = ( -0.2036586 0.2036586 0.2036586), wk = 0.0029674 k( 114) = ( -0.1944014 0.1944014 0.1944014), wk = 0.0029674 k( 115) = ( -0.1851442 0.1851442 0.1851442), wk = 0.0029674 k( 116) = ( -0.1758870 0.1758870 0.1758870), wk = 0.0029674 k( 117) = ( -0.1666298 0.1666298 0.1666298), wk = 0.0029674 k( 118) = ( -0.1573726 0.1573726 0.1573726), wk = 0.0029674 k( 119) = ( -0.1481154 0.1481154 0.1481154), wk = 0.0029674 k( 120) = ( -0.1388582 0.1388582 0.1388582), wk = 0.0029674 k( 121) = ( -0.1296009 0.1296009 0.1296009), wk = 0.0029674 k( 122) = ( -0.1203437 0.1203437 0.1203437), wk = 0.0029674 k( 123) = ( -0.1110865 0.1110865 0.1110865), wk = 0.0029674 k( 124) = ( -0.1018293 0.1018293 0.1018293), wk = 0.0029674 k( 125) = ( -0.0925721 0.0925721 0.0925721), wk = 0.0029674 k( 126) = ( -0.0833149 0.0833149 0.0833149), wk = 0.0029674 k( 127) = ( -0.0740577 0.0740577 0.0740577), wk = 0.0029674 k( 128) = ( -0.0648005 0.0648005 0.0648005), wk = 0.0029674 k( 129) = ( -0.0555433 0.0555433 0.0555433), wk = 0.0029674 k( 130) = ( -0.0462861 0.0462861 0.0462861), wk = 0.0029674 k( 131) = ( -0.0370288 0.0370288 0.0370288), wk = 0.0029674 k( 132) = ( -0.0277716 0.0277716 0.0277716), wk = 0.0029674 k( 133) = ( -0.0185144 0.0185144 0.0185144), wk = 0.0029674 k( 134) = ( -0.0092572 0.0092572 0.0092572), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 137) = ( 0.0092593 0.0092593 -0.0092593), wk = 0.0029674 k( 138) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0029674 k( 139) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0029674 k( 140) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0029674 k( 141) = ( 0.0462963 0.0462963 -0.0462963), wk = 0.0029674 k( 142) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0029674 k( 143) = ( 0.0648148 0.0648148 -0.0648148), wk = 0.0029674 k( 144) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0029674 k( 145) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029674 k( 146) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0029674 k( 147) = ( 0.1018518 0.1018519 -0.1018518), wk = 0.0029674 k( 148) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0029674 k( 149) = ( 0.1203704 0.1203704 -0.1203704), wk = 0.0029674 k( 150) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0029674 k( 151) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0029674 k( 152) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0029674 k( 153) = ( 0.1574074 0.1574074 -0.1574074), wk = 0.0029674 k( 154) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029674 k( 155) = ( 0.1759259 0.1759259 -0.1759259), wk = 0.0029674 k( 156) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0029674 k( 157) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0029674 k( 158) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0029674 k( 159) = ( 0.2129630 0.2129630 -0.2129630), wk = 0.0029674 k( 160) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0029674 k( 161) = ( 0.2314815 0.2314815 -0.2314815), wk = 0.0029674 k( 162) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0029674 k( 163) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029674 k( 164) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0029674 k( 165) = ( 0.2685185 0.2685185 -0.2685185), wk = 0.0029674 k( 166) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0029674 k( 167) = ( 0.2870370 0.2870370 -0.2870370), wk = 0.0029674 k( 168) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0029674 k( 169) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0029674 k( 170) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0029674 k( 171) = ( 0.3240741 0.3240741 -0.3240741), wk = 0.0029674 k( 172) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029674 k( 173) = ( 0.3425926 0.3425926 -0.3425926), wk = 0.0029674 k( 174) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0029674 k( 175) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0029674 k( 176) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0029674 k( 177) = ( 0.3796296 0.3796296 -0.3796296), wk = 0.0029674 k( 178) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0029674 k( 179) = ( 0.3981481 0.3981481 -0.3981482), wk = 0.0029674 k( 180) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0029674 k( 181) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029674 k( 182) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0029674 k( 183) = ( 0.4351852 0.4351852 -0.4351852), wk = 0.0029674 k( 184) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0029674 k( 185) = ( 0.4537037 0.4537037 -0.4537037), wk = 0.0029674 k( 186) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0029674 k( 187) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0029674 k( 188) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0029674 k( 189) = ( 0.4907407 0.4907407 -0.4907407), wk = 0.0029674 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 191) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 192) = ( 0.4998894 0.5001106 -0.4998894), wk = 0.0029674 k( 193) = ( 0.4998894 0.5001106 -0.4998894), wk = 0.0029674 k( 194) = ( 0.4867344 0.5001077 -0.4867344), wk = 0.0029674 k( 195) = ( 0.4735794 0.5001048 -0.4735794), wk = 0.0029674 k( 196) = ( 0.4604244 0.5001019 -0.4604244), wk = 0.0029674 k( 197) = ( 0.4472694 0.5000990 -0.4472694), wk = 0.0029674 k( 198) = ( 0.4341144 0.5000961 -0.4341144), wk = 0.0029674 k( 199) = ( 0.4209595 0.5000932 -0.4209595), wk = 0.0029674 k( 200) = ( 0.4078045 0.5000903 -0.4078045), wk = 0.0029674 k( 201) = ( 0.3946495 0.5000874 -0.3946495), wk = 0.0029674 k( 202) = ( 0.3814945 0.5000844 -0.3814945), wk = 0.0029674 k( 203) = ( 0.3683395 0.5000815 -0.3683395), wk = 0.0029674 k( 204) = ( 0.3551845 0.5000786 -0.3551845), wk = 0.0029674 k( 205) = ( 0.3420296 0.5000757 -0.3420296), wk = 0.0029674 k( 206) = ( 0.3288746 0.5000728 -0.3288746), wk = 0.0029674 k( 207) = ( 0.3157196 0.5000699 -0.3157196), wk = 0.0029674 k( 208) = ( 0.3025646 0.5000670 -0.3025646), wk = 0.0029674 k( 209) = ( 0.2894096 0.5000641 -0.2894096), wk = 0.0029674 k( 210) = ( 0.2762546 0.5000611 -0.2762546), wk = 0.0029674 k( 211) = ( 0.2630997 0.5000582 -0.2630997), wk = 0.0029674 k( 212) = ( 0.2499447 0.5000553 -0.2499447), wk = 0.0029674 k( 213) = ( 0.2367897 0.5000524 -0.2367897), wk = 0.0029674 k( 214) = ( 0.2236347 0.5000495 -0.2236347), wk = 0.0029674 k( 215) = ( 0.2104797 0.5000466 -0.2104797), wk = 0.0029674 k( 216) = ( 0.1973247 0.5000437 -0.1973247), wk = 0.0029674 k( 217) = ( 0.1841698 0.5000408 -0.1841698), wk = 0.0029674 k( 218) = ( 0.1710148 0.5000379 -0.1710148), wk = 0.0029674 k( 219) = ( 0.1578598 0.5000349 -0.1578598), wk = 0.0029674 k( 220) = ( 0.1447048 0.5000320 -0.1447048), wk = 0.0029674 k( 221) = ( 0.1315498 0.5000291 -0.1315498), wk = 0.0029674 k( 222) = ( 0.1183948 0.5000262 -0.1183948), wk = 0.0029674 k( 223) = ( 0.1052399 0.5000233 -0.1052399), wk = 0.0029674 k( 224) = ( 0.0920849 0.5000204 -0.0920849), wk = 0.0029674 k( 225) = ( 0.0789299 0.5000175 -0.0789299), wk = 0.0029674 k( 226) = ( 0.0657749 0.5000146 -0.0657749), wk = 0.0029674 k( 227) = ( 0.0526199 0.5000117 -0.0526199), wk = 0.0029674 k( 228) = ( 0.0394649 0.5000087 -0.0394650), wk = 0.0029674 k( 229) = ( 0.0263100 0.5000058 -0.0263100), wk = 0.0029674 k( 230) = ( 0.0131550 0.5000029 -0.0131550), wk = 0.0029674 k( 231) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 232) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029674 k( 233) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0029674 k( 234) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0029674 k( 235) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0029674 k( 236) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0029674 k( 237) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0029674 k( 238) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0029674 k( 239) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0029674 k( 240) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0029674 k( 241) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029674 k( 242) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0029674 k( 243) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0029674 k( 244) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0029674 k( 245) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0029674 k( 246) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0029674 k( 247) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0029674 k( 248) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0029674 k( 249) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0029674 k( 250) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029674 k( 251) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0029674 k( 252) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0029674 k( 253) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0029674 k( 254) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0029674 k( 255) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0029674 k( 256) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0029674 k( 257) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0029674 k( 258) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0029674 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 261) = ( 0.2553191 0.2553191 0.2340473), wk = 0.0029674 k( 262) = ( 0.2606383 0.2606383 0.2180945), wk = 0.0029674 k( 263) = ( 0.2659574 0.2659575 0.2021418), wk = 0.0029674 k( 264) = ( 0.2712766 0.2712766 0.1861891), wk = 0.0029674 k( 265) = ( 0.2765957 0.2765957 0.1702363), wk = 0.0029674 k( 266) = ( 0.2819149 0.2819149 0.1542836), wk = 0.0029674 k( 267) = ( 0.2872340 0.2872340 0.1383308), wk = 0.0029674 k( 268) = ( 0.2925532 0.2925532 0.1223781), wk = 0.0029674 k( 269) = ( 0.2978723 0.2978723 0.1064254), wk = 0.0029674 k( 270) = ( 0.3031915 0.3031915 0.0904726), wk = 0.0029674 k( 271) = ( 0.3085106 0.3085106 0.0745199), wk = 0.0029674 k( 272) = ( 0.3138298 0.3138298 0.0585671), wk = 0.0029674 k( 273) = ( 0.3191489 0.3191489 0.0426144), wk = 0.0029674 k( 274) = ( 0.3244681 0.3244681 0.0266617), wk = 0.0029674 k( 275) = ( 0.3297872 0.3297872 0.0107089), wk = 0.0029674 k( 276) = ( 0.3351064 0.3351064 -0.0052438), wk = 0.0029674 k( 277) = ( 0.3404255 0.3404255 -0.0211965), wk = 0.0029674 k( 278) = ( 0.3457447 0.3457447 -0.0371493), wk = 0.0029674 k( 279) = ( 0.3510638 0.3510638 -0.0531020), wk = 0.0029674 k( 280) = ( 0.3563830 0.3563830 -0.0690548), wk = 0.0029674 k( 281) = ( 0.3617021 0.3617021 -0.0850075), wk = 0.0029674 k( 282) = ( 0.3670213 0.3670213 -0.1009603), wk = 0.0029674 k( 283) = ( 0.3723404 0.3723404 -0.1169130), wk = 0.0029674 k( 284) = ( 0.3776596 0.3776596 -0.1328657), wk = 0.0029674 k( 285) = ( 0.3829787 0.3829787 -0.1488185), wk = 0.0029674 k( 286) = ( 0.3882979 0.3882979 -0.1647712), wk = 0.0029674 k( 287) = ( 0.3936170 0.3936170 -0.1807239), wk = 0.0029674 k( 288) = ( 0.3989362 0.3989362 -0.1966767), wk = 0.0029674 k( 289) = ( 0.4042553 0.4042553 -0.2126294), wk = 0.0029674 k( 290) = ( 0.4095745 0.4095745 -0.2285822), wk = 0.0029674 k( 291) = ( 0.4148936 0.4148936 -0.2445349), wk = 0.0029674 k( 292) = ( 0.4202128 0.4202128 -0.2604876), wk = 0.0029674 k( 293) = ( 0.4255319 0.4255319 -0.2764404), wk = 0.0029674 k( 294) = ( 0.4308511 0.4308511 -0.2923931), wk = 0.0029674 k( 295) = ( 0.4361702 0.4361702 -0.3083458), wk = 0.0029674 k( 296) = ( 0.4414894 0.4414894 -0.3242986), wk = 0.0029674 k( 297) = ( 0.4468085 0.4468085 -0.3402513), wk = 0.0029674 k( 298) = ( 0.4521277 0.4521277 -0.3562041), wk = 0.0029674 k( 299) = ( 0.4574468 0.4574468 -0.3721568), wk = 0.0029674 k( 300) = ( 0.4627660 0.4627660 -0.3881095), wk = 0.0029674 k( 301) = ( 0.4680851 0.4680851 -0.4040623), wk = 0.0029674 k( 302) = ( 0.4734043 0.4734043 -0.4200150), wk = 0.0029674 k( 303) = ( 0.4787234 0.4787234 -0.4359678), wk = 0.0029674 k( 304) = ( 0.4840426 0.4840425 -0.4519205), wk = 0.0029674 k( 305) = ( 0.4893617 0.4893617 -0.4678732), wk = 0.0029674 k( 306) = ( 0.4946809 0.4946809 -0.4838260), wk = 0.0029674 k( 307) = ( 0.5000000 0.5000000 -0.4997787), wk = 0.0029674 k( 308) = ( 0.5000000 0.5000000 -0.4997787), wk = 0.0029674 k( 309) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029674 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 311) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0029674 k( 312) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0029674 k( 313) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0029674 k( 314) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0029674 k( 315) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0029674 k( 316) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0029674 k( 317) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0029674 k( 318) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0029674 k( 319) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029674 k( 320) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0029674 k( 321) = ( 0.1018518 0.1018519 0.3981482), wk = 0.0029674 k( 322) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0029674 k( 323) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0029674 k( 324) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0029674 k( 325) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0029674 k( 326) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0029674 k( 327) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0029674 k( 328) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 329) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0029674 k( 330) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0029674 k( 331) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0029674 k( 332) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0029674 k( 333) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0029674 k( 334) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0029674 k( 335) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0029674 k( 336) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0029674 k( 337) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 Dense grid: 68179 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 50597 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 372, 40) NL pseudopotentials 0.26 Mb ( 186, 90) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1892) G-vector shells 0.01 Mb ( 835) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 372, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 90, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Na2TeC2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.3 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.0 secs Computing kpt #: 31 total cpu time spent up to now is 13.4 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.6 secs Computing kpt #: 35 total cpu time spent up to now is 14.9 secs Computing kpt #: 36 total cpu time spent up to now is 15.3 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 16.1 secs Computing kpt #: 39 total cpu time spent up to now is 16.5 secs Computing kpt #: 40 total cpu time spent up to now is 16.9 secs Computing kpt #: 41 total cpu time spent up to now is 17.3 secs Computing kpt #: 42 total cpu time spent up to now is 17.7 secs Computing kpt #: 43 total cpu time spent up to now is 18.1 secs Computing kpt #: 44 total cpu time spent up to now is 18.5 secs Computing kpt #: 45 total cpu time spent up to now is 18.9 secs Computing kpt #: 46 total cpu time spent up to now is 19.3 secs Computing kpt #: 47 total cpu time spent up to now is 19.8 secs Computing kpt #: 48 total cpu time spent up to now is 20.2 secs Computing kpt #: 49 total cpu time spent up to now is 20.6 secs Computing kpt #: 50 total cpu time spent up to now is 21.0 secs Computing kpt #: 51 total cpu time spent up to now is 21.4 secs Computing kpt #: 52 total cpu time spent up to now is 21.7 secs Computing kpt #: 53 total cpu time spent up to now is 22.1 secs Computing kpt #: 54 total cpu time spent up to now is 22.5 secs Computing kpt #: 55 total cpu time spent up to now is 22.9 secs Computing kpt #: 56 total cpu time spent up to now is 23.2 secs Computing kpt #: 57 total cpu time spent up to now is 23.6 secs Computing kpt #: 58 total cpu time spent up to now is 23.9 secs Computing kpt #: 59 total cpu time spent up to now is 24.3 secs Computing kpt #: 60 total cpu time spent up to now is 24.6 secs Computing kpt #: 61 total cpu time spent up to now is 25.0 secs Computing kpt #: 62 total cpu time spent up to now is 25.3 secs Computing kpt #: 63 total cpu time spent up to now is 25.7 secs Computing kpt #: 64 total cpu time spent up to now is 26.0 secs Computing kpt #: 65 total cpu time spent up to now is 26.4 secs Computing kpt #: 66 total cpu time spent up to now is 26.7 secs Computing kpt #: 67 total cpu time spent up to now is 27.0 secs Computing kpt #: 68 total cpu time spent up to now is 27.4 secs Computing kpt #: 69 total cpu time spent up to now is 27.7 secs Computing kpt #: 70 total cpu time spent up to now is 28.1 secs Computing kpt #: 71 total cpu time spent up to now is 28.4 secs Computing kpt #: 72 total cpu time spent up to now is 28.7 secs Computing kpt #: 73 total cpu time spent up to now is 29.1 secs Computing kpt #: 74 total cpu time spent up to now is 29.5 secs Computing kpt #: 75 total cpu time spent up to now is 29.8 secs Computing kpt #: 76 total cpu time spent up to now is 30.1 secs Computing kpt #: 77 total cpu time spent up to now is 30.5 secs Computing kpt #: 78 total cpu time spent up to now is 30.8 secs Computing kpt #: 79 total cpu time spent up to now is 31.1 secs Computing kpt #: 80 total cpu time spent up to now is 31.5 secs Computing kpt #: 81 total cpu time spent up to now is 31.8 secs Computing kpt #: 82 total cpu time spent up to now is 32.2 secs Computing kpt #: 83 total cpu time spent up to now is 32.5 secs Computing kpt #: 84 total cpu time spent up to now is 32.8 secs Computing kpt #: 85 total cpu time spent up to now is 33.2 secs Computing kpt #: 86 total cpu time spent up to now is 33.5 secs Computing kpt #: 87 total cpu time spent up to now is 33.9 secs Computing kpt #: 88 total cpu time spent up to now is 34.2 secs Computing kpt #: 89 total cpu time spent up to now is 34.6 secs Computing kpt #: 90 total cpu time spent up to now is 34.9 secs Computing kpt #: 91 total cpu time spent up to now is 35.3 secs Computing kpt #: 92 total cpu time spent up to now is 35.6 secs Computing kpt #: 93 total cpu time spent up to now is 36.0 secs Computing kpt #: 94 total cpu time spent up to now is 36.4 secs Computing kpt #: 95 total cpu time spent up to now is 36.8 secs Computing kpt #: 96 total cpu time spent up to now is 37.1 secs Computing kpt #: 97 total cpu time spent up to now is 37.6 secs Computing kpt #: 98 total cpu time spent up to now is 38.0 secs Computing kpt #: 99 total cpu time spent up to now is 38.3 secs Computing kpt #: 100 total cpu time spent up to now is 38.7 secs Computing kpt #: 101 total cpu time spent up to now is 39.0 secs Computing kpt #: 102 total cpu time spent up to now is 39.4 secs Computing kpt #: 103 total cpu time spent up to now is 39.7 secs Computing kpt #: 104 total cpu time spent up to now is 40.1 secs Computing kpt #: 105 total cpu time spent up to now is 40.5 secs Computing kpt #: 106 total cpu time spent up to now is 40.8 secs Computing kpt #: 107 total cpu time spent up to now is 41.2 secs Computing kpt #: 108 total cpu time spent up to now is 41.6 secs Computing kpt #: 109 total cpu time spent up to now is 41.9 secs Computing kpt #: 110 total cpu time spent up to now is 42.3 secs Computing kpt #: 111 total cpu time spent up to now is 42.6 secs Computing kpt #: 112 total cpu time spent up to now is 43.0 secs Computing kpt #: 113 total cpu time spent up to now is 43.4 secs Computing kpt #: 114 total cpu time spent up to now is 43.8 secs Computing kpt #: 115 total cpu time spent up to now is 44.1 secs Computing kpt #: 116 total cpu time spent up to now is 44.5 secs Computing kpt #: 117 total cpu time spent up to now is 44.8 secs Computing kpt #: 118 total cpu time spent up to now is 45.2 secs Computing kpt #: 119 total cpu time spent up to now is 45.6 secs Computing kpt #: 120 total cpu time spent up to now is 45.9 secs Computing kpt #: 121 total cpu time spent up to now is 46.3 secs Computing kpt #: 122 total cpu time spent up to now is 46.7 secs Computing kpt #: 123 total cpu time spent up to now is 47.1 secs Computing kpt #: 124 total cpu time spent up to now is 47.4 secs Computing kpt #: 125 total cpu time spent up to now is 47.8 secs Computing kpt #: 126 total cpu time spent up to now is 48.2 secs Computing kpt #: 127 total cpu time spent up to now is 48.5 secs Computing kpt #: 128 total cpu time spent up to now is 48.9 secs Computing kpt #: 129 total cpu time spent up to now is 49.3 secs Computing kpt #: 130 total cpu time spent up to now is 49.6 secs Computing kpt #: 131 total cpu time spent up to now is 50.0 secs Computing kpt #: 132 total cpu time spent up to now is 50.3 secs Computing kpt #: 133 total cpu time spent up to now is 50.7 secs Computing kpt #: 134 total cpu time spent up to now is 51.0 secs Computing kpt #: 135 total cpu time spent up to now is 51.4 secs Computing kpt #: 136 total cpu time spent up to now is 51.7 secs Computing kpt #: 137 total cpu time spent up to now is 52.0 secs Computing kpt #: 138 total cpu time spent up to now is 52.4 secs Computing kpt #: 139 total cpu time spent up to now is 52.7 secs Computing kpt #: 140 total cpu time spent up to now is 53.1 secs Computing kpt #: 141 total cpu time spent up to now is 53.4 secs Computing kpt #: 142 total cpu time spent up to now is 53.7 secs Computing kpt #: 143 total cpu time spent up to now is 54.1 secs Computing kpt #: 144 total cpu time spent up to now is 54.6 secs Computing kpt #: 145 total cpu time spent up to now is 55.1 secs Computing kpt #: 146 total cpu time spent up to now is 55.6 secs Computing kpt #: 147 total cpu time spent up to now is 56.0 secs Computing kpt #: 148 total cpu time spent up to now is 56.4 secs Computing kpt #: 149 total cpu time spent up to now is 56.8 secs Computing kpt #: 150 total cpu time spent up to now is 57.2 secs Computing kpt #: 151 total cpu time spent up to now is 57.6 secs Computing kpt #: 152 total cpu time spent up to now is 58.0 secs Computing kpt #: 153 total cpu time spent up to now is 58.3 secs Computing kpt #: 154 total cpu time spent up to now is 58.7 secs Computing kpt #: 155 total cpu time spent up to now is 59.1 secs Computing kpt #: 156 total cpu time spent up to now is 59.6 secs Computing kpt #: 157 total cpu time spent up to now is 60.0 secs Computing kpt #: 158 total cpu time spent up to now is 60.4 secs Computing kpt #: 159 total cpu time spent up to now is 60.8 secs Computing kpt #: 160 total cpu time spent up to now is 61.2 secs Computing kpt #: 161 total cpu time spent up to now is 61.6 secs Computing kpt #: 162 total cpu time spent up to now is 62.1 secs Computing kpt #: 163 total cpu time spent up to now is 62.5 secs Computing kpt #: 164 total cpu time spent up to now is 63.0 secs Computing kpt #: 165 total cpu time spent up to now is 63.5 secs Computing kpt #: 166 total cpu time spent up to now is 64.0 secs Computing kpt #: 167 total cpu time spent up to now is 64.5 secs Computing kpt #: 168 total cpu time spent up to now is 65.4 secs Computing kpt #: 169 total cpu time spent up to now is 65.9 secs Computing kpt #: 170 total cpu time spent up to now is 66.4 secs Computing kpt #: 171 total cpu time spent up to now is 66.8 secs Computing kpt #: 172 total cpu time spent up to now is 67.3 secs Computing kpt #: 173 total cpu time spent up to now is 67.8 secs Computing kpt #: 174 total cpu time spent up to now is 68.2 secs Computing kpt #: 175 total cpu time spent up to now is 68.7 secs Computing kpt #: 176 total cpu time spent up to now is 69.2 secs Computing kpt #: 177 total cpu time spent up to now is 69.6 secs Computing kpt #: 178 total cpu time spent up to now is 70.1 secs Computing kpt #: 179 total cpu time spent up to now is 70.5 secs Computing kpt #: 180 total cpu time spent up to now is 70.9 secs Computing kpt #: 181 total cpu time spent up to now is 71.4 secs Computing kpt #: 182 total cpu time spent up to now is 71.8 secs Computing kpt #: 183 total cpu time spent up to now is 72.2 secs Computing kpt #: 184 total cpu time spent up to now is 72.6 secs Computing kpt #: 185 total cpu time spent up to now is 72.9 secs Computing kpt #: 186 total cpu time spent up to now is 73.3 secs Computing kpt #: 187 total cpu time spent up to now is 73.7 secs Computing kpt #: 188 total cpu time spent up to now is 74.0 secs Computing kpt #: 189 total cpu time spent up to now is 74.3 secs Computing kpt #: 190 total cpu time spent up to now is 74.7 secs Computing kpt #: 191 total cpu time spent up to now is 75.0 secs Computing kpt #: 192 total cpu time spent up to now is 75.3 secs Computing kpt #: 193 total cpu time spent up to now is 75.7 secs Computing kpt #: 194 total cpu time spent up to now is 76.0 secs Computing kpt #: 195 total cpu time spent up to now is 76.4 secs Computing kpt #: 196 total cpu time spent up to now is 76.7 secs Computing kpt #: 197 total cpu time spent up to now is 77.1 secs Computing kpt #: 198 total cpu time spent up to now is 77.5 secs Computing kpt #: 199 total cpu time spent up to now is 77.8 secs Computing kpt #: 200 total cpu time spent up to now is 78.2 secs Computing kpt #: 201 total cpu time spent up to now is 78.6 secs Computing kpt #: 202 total cpu time spent up to now is 79.0 secs Computing kpt #: 203 total cpu time spent up to now is 79.4 secs Computing kpt #: 204 total cpu time spent up to now is 79.8 secs Computing kpt #: 205 total cpu time spent up to now is 80.2 secs Computing kpt #: 206 total cpu time spent up to now is 80.6 secs Computing kpt #: 207 total cpu time spent up to now is 81.1 secs Computing kpt #: 208 total cpu time spent up to now is 81.5 secs Computing kpt #: 209 total cpu time spent up to now is 81.9 secs Computing kpt #: 210 total cpu time spent up to now is 82.3 secs Computing kpt #: 211 total cpu time spent up to now is 82.8 secs Computing kpt #: 212 total cpu time spent up to now is 83.2 secs Computing kpt #: 213 total cpu time spent up to now is 83.6 secs Computing kpt #: 214 total cpu time spent up to now is 84.0 secs Computing kpt #: 215 total cpu time spent up to now is 84.5 secs Computing kpt #: 216 total cpu time spent up to now is 84.9 secs Computing kpt #: 217 total cpu time spent up to now is 85.3 secs Computing kpt #: 218 total cpu time spent up to now is 85.8 secs Computing kpt #: 219 total cpu time spent up to now is 86.2 secs Computing kpt #: 220 total cpu time spent up to now is 86.6 secs Computing kpt #: 221 total cpu time spent up to now is 87.0 secs Computing kpt #: 222 total cpu time spent up to now is 87.5 secs Computing kpt #: 223 total cpu time spent up to now is 87.9 secs Computing kpt #: 224 total cpu time spent up to now is 88.3 secs Computing kpt #: 225 total cpu time spent up to now is 88.7 secs Computing kpt #: 226 total cpu time spent up to now is 89.2 secs Computing kpt #: 227 total cpu time spent up to now is 89.6 secs Computing kpt #: 228 total cpu time spent up to now is 90.0 secs Computing kpt #: 229 total cpu time spent up to now is 90.4 secs Computing kpt #: 230 total cpu time spent up to now is 90.9 secs Computing kpt #: 231 total cpu time spent up to now is 91.3 secs Computing kpt #: 232 total cpu time spent up to now is 91.7 secs Computing kpt #: 233 total cpu time spent up to now is 92.1 secs Computing kpt #: 234 total cpu time spent up to now is 92.6 secs Computing kpt #: 235 total cpu time spent up to now is 93.0 secs Computing kpt #: 236 total cpu time spent up to now is 93.4 secs Computing kpt #: 237 total cpu time spent up to now is 93.9 secs Computing kpt #: 238 total cpu time spent up to now is 94.3 secs Computing kpt #: 239 total cpu time spent up to now is 94.7 secs Computing kpt #: 240 total cpu time spent up to now is 95.2 secs Computing kpt #: 241 total cpu time spent up to now is 95.6 secs Computing kpt #: 242 total cpu time spent up to now is 96.0 secs Computing kpt #: 243 total cpu time spent up to now is 96.5 secs Computing kpt #: 244 total cpu time spent up to now is 96.9 secs Computing kpt #: 245 total cpu time spent up to now is 97.3 secs Computing kpt #: 246 total cpu time spent up to now is 97.8 secs Computing kpt #: 247 total cpu time spent up to now is 98.2 secs Computing kpt #: 248 total cpu time spent up to now is 98.6 secs Computing kpt #: 249 total cpu time spent up to now is 99.1 secs Computing kpt #: 250 total cpu time spent up to now is 99.5 secs Computing kpt #: 251 total cpu time spent up to now is 100.0 secs Computing kpt #: 252 total cpu time spent up to now is 100.4 secs Computing kpt #: 253 total cpu time spent up to now is 100.9 secs Computing kpt #: 254 total cpu time spent up to now is 101.3 secs Computing kpt #: 255 total cpu time spent up to now is 101.7 secs Computing kpt #: 256 total cpu time spent up to now is 102.2 secs Computing kpt #: 257 total cpu time spent up to now is 102.6 secs Computing kpt #: 258 total cpu time spent up to now is 103.1 secs Computing kpt #: 259 total cpu time spent up to now is 103.5 secs Computing kpt #: 260 total cpu time spent up to now is 104.0 secs Computing kpt #: 261 total cpu time spent up to now is 104.5 secs Computing kpt #: 262 total cpu time spent up to now is 104.9 secs Computing kpt #: 263 total cpu time spent up to now is 105.4 secs Computing kpt #: 264 total cpu time spent up to now is 105.8 secs Computing kpt #: 265 total cpu time spent up to now is 106.3 secs Computing kpt #: 266 total cpu time spent up to now is 106.7 secs Computing kpt #: 267 total cpu time spent up to now is 107.2 secs Computing kpt #: 268 total cpu time spent up to now is 107.7 secs Computing kpt #: 269 total cpu time spent up to now is 108.1 secs Computing kpt #: 270 total cpu time spent up to now is 108.6 secs Computing kpt #: 271 total cpu time spent up to now is 109.0 secs Computing kpt #: 272 total cpu time spent up to now is 109.5 secs Computing kpt #: 273 total cpu time spent up to now is 109.9 secs Computing kpt #: 274 total cpu time spent up to now is 110.4 secs Computing kpt #: 275 total cpu time spent up to now is 110.8 secs Computing kpt #: 276 total cpu time spent up to now is 111.3 secs Computing kpt #: 277 total cpu time spent up to now is 111.8 secs Computing kpt #: 278 total cpu time spent up to now is 112.2 secs Computing kpt #: 279 total cpu time spent up to now is 112.6 secs Computing kpt #: 280 total cpu time spent up to now is 113.1 secs Computing kpt #: 281 total cpu time spent up to now is 113.5 secs Computing kpt #: 282 total cpu time spent up to now is 114.0 secs Computing kpt #: 283 total cpu time spent up to now is 114.4 secs Computing kpt #: 284 total cpu time spent up to now is 114.8 secs Computing kpt #: 285 total cpu time spent up to now is 115.2 secs Computing kpt #: 286 total cpu time spent up to now is 115.7 secs Computing kpt #: 287 total cpu time spent up to now is 116.1 secs Computing kpt #: 288 total cpu time spent up to now is 116.5 secs Computing kpt #: 289 total cpu time spent up to now is 116.9 secs Computing kpt #: 290 total cpu time spent up to now is 117.3 secs Computing kpt #: 291 total cpu time spent up to now is 117.7 secs Computing kpt #: 292 total cpu time spent up to now is 118.1 secs Computing kpt #: 293 total cpu time spent up to now is 118.6 secs Computing kpt #: 294 total cpu time spent up to now is 118.9 secs Computing kpt #: 295 total cpu time spent up to now is 119.3 secs Computing kpt #: 296 total cpu time spent up to now is 119.7 secs Computing kpt #: 297 total cpu time spent up to now is 120.1 secs Computing kpt #: 298 total cpu time spent up to now is 120.5 secs Computing kpt #: 299 total cpu time spent up to now is 120.9 secs Computing kpt #: 300 total cpu time spent up to now is 121.2 secs Computing kpt #: 301 total cpu time spent up to now is 121.6 secs Computing kpt #: 302 total cpu time spent up to now is 121.9 secs Computing kpt #: 303 total cpu time spent up to now is 122.3 secs Computing kpt #: 304 total cpu time spent up to now is 122.6 secs Computing kpt #: 305 total cpu time spent up to now is 123.0 secs Computing kpt #: 306 total cpu time spent up to now is 123.3 secs Computing kpt #: 307 total cpu time spent up to now is 123.6 secs Computing kpt #: 308 total cpu time spent up to now is 124.0 secs Computing kpt #: 309 total cpu time spent up to now is 124.3 secs Computing kpt #: 310 total cpu time spent up to now is 124.7 secs Computing kpt #: 311 total cpu time spent up to now is 125.1 secs Computing kpt #: 312 total cpu time spent up to now is 125.5 secs Computing kpt #: 313 total cpu time spent up to now is 125.9 secs Computing kpt #: 314 total cpu time spent up to now is 126.3 secs Computing kpt #: 315 total cpu time spent up to now is 126.7 secs Computing kpt #: 316 total cpu time spent up to now is 127.1 secs Computing kpt #: 317 total cpu time spent up to now is 127.5 secs Computing kpt #: 318 total cpu time spent up to now is 127.9 secs Computing kpt #: 319 total cpu time spent up to now is 128.3 secs Computing kpt #: 320 total cpu time spent up to now is 128.7 secs Computing kpt #: 321 total cpu time spent up to now is 129.1 secs Computing kpt #: 322 total cpu time spent up to now is 129.6 secs Computing kpt #: 323 total cpu time spent up to now is 130.0 secs Computing kpt #: 324 total cpu time spent up to now is 130.4 secs Computing kpt #: 325 total cpu time spent up to now is 130.8 secs Computing kpt #: 326 total cpu time spent up to now is 131.2 secs Computing kpt #: 327 total cpu time spent up to now is 131.6 secs Computing kpt #: 328 total cpu time spent up to now is 132.0 secs Computing kpt #: 329 total cpu time spent up to now is 132.4 secs Computing kpt #: 330 total cpu time spent up to now is 132.8 secs Computing kpt #: 331 total cpu time spent up to now is 133.2 secs Computing kpt #: 332 total cpu time spent up to now is 133.7 secs Computing kpt #: 333 total cpu time spent up to now is 134.1 secs Computing kpt #: 334 total cpu time spent up to now is 134.5 secs Computing kpt #: 335 total cpu time spent up to now is 135.0 secs Computing kpt #: 336 total cpu time spent up to now is 135.4 secs Computing kpt #: 337 total cpu time spent up to now is 135.9 secs ethr = 3.13E-08, avg # of iterations = 16.0 total cpu time spent up to now is 135.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6032 -9.6032 -6.4478 -6.4478 -2.4486 -2.4486 1.3453 1.3453 1.4269 1.4269 2.7855 2.7855 3.2242 3.2242 3.5421 3.5421 5.4664 5.4664 6.7658 6.7658 6.7737 6.7737 8.3164 8.3164 k = 0.0000 0.0000 0.0161 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3181 -20.3181 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6030 -9.6030 -6.4478 -6.4478 -2.4489 -2.4489 1.3436 1.3436 1.4255 1.4255 2.7848 2.7848 3.2222 3.2222 3.5434 3.5434 5.4724 5.4724 6.7658 6.7658 6.7744 6.7744 8.3167 8.3167 k = 0.0000 0.0000 0.0322 ( 6365 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6025 -9.6025 -6.4476 -6.4476 -2.4497 -2.4497 1.3380 1.3380 1.4217 1.4217 2.7830 2.7830 3.2163 3.2163 3.5472 3.5472 5.4905 5.4905 6.7632 6.7632 6.7790 6.7790 8.3175 8.3175 k = 0.0000 0.0000 0.0483 ( 6381 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2577 -20.2577 -20.2543 -20.2543 -20.2417 -20.2417 -9.6016 -9.6016 -6.4474 -6.4474 -2.4509 -2.4509 1.3274 1.3274 1.4167 1.4167 2.7800 2.7800 3.2073 3.2073 3.5530 3.5530 5.5201 5.5201 6.7570 6.7570 6.7886 6.7886 8.3189 8.3189 k = 0.0000 0.0000 0.0645 ( 6381 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4350 -20.4350 -20.3182 -20.3182 -20.2577 -20.2577 -20.2543 -20.2543 -20.2417 -20.2417 -9.6004 -9.6004 -6.4471 -6.4471 -2.4527 -2.4527 1.3104 1.3104 1.4120 1.4120 2.7764 2.7764 3.1960 3.1960 3.5602 3.5602 5.5606 5.5606 6.7479 6.7479 6.8026 6.8026 8.3209 8.3209 k = 0.0000 0.0000 0.0806 ( 6389 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4351 -20.4351 -20.3182 -20.3182 -20.2578 -20.2578 -20.2543 -20.2543 -20.2417 -20.2417 -9.5989 -9.5989 -6.4467 -6.4467 -2.4550 -2.4550 1.2860 1.2860 1.4087 1.4087 2.7725 2.7725 3.1833 3.1833 3.5683 3.5683 5.6110 5.6110 6.7361 6.7361 6.8207 6.8207 8.3234 8.3234 k = 0.0000 0.0000 0.0967 ( 6385 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4351 -20.4351 -20.3182 -20.3182 -20.2579 -20.2579 -20.2543 -20.2543 -20.2417 -20.2417 -9.5970 -9.5970 -6.4461 -6.4461 -2.4577 -2.4577 1.2542 1.2542 1.4070 1.4070 2.7687 2.7687 3.1699 3.1699 3.5767 3.5767 5.6703 5.6703 6.7220 6.7220 6.8428 6.8428 8.3265 8.3265 k = 0.0000 0.0000 0.1128 ( 6371 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4352 -20.4352 -20.3180 -20.3180 -20.2580 -20.2580 -20.2543 -20.2543 -20.2415 -20.2415 -9.5949 -9.5949 -6.4455 -6.4455 -2.4608 -2.4608 1.2154 1.2154 1.4066 1.4066 2.7653 2.7653 3.1565 3.1565 3.5853 3.5853 5.7375 5.7375 6.7057 6.7057 6.8688 6.8688 8.3302 8.3302 k = 0.0000 0.0000 0.1289 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4352 -20.4352 -20.3180 -20.3180 -20.2581 -20.2581 -20.2543 -20.2543 -20.2414 -20.2414 -9.5924 -9.5924 -6.4447 -6.4447 -2.4644 -2.4644 1.1704 1.1704 1.4074 1.4074 2.7628 2.7628 3.1437 3.1437 3.5938 3.5938 5.8114 5.8114 6.6875 6.6875 6.8985 6.8985 8.3345 8.3345 k = 0.0000 0.0000 0.1450 ( 6351 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4353 -20.4353 -20.3179 -20.3179 -20.2582 -20.2582 -20.2543 -20.2543 -20.2413 -20.2413 -9.5897 -9.5897 -6.4439 -6.4439 -2.4684 -2.4684 1.1199 1.1199 1.4089 1.4089 2.7613 2.7613 3.1317 3.1317 3.6021 3.6021 5.8910 5.8910 6.6674 6.6674 6.9320 6.9320 8.3393 8.3393 k = 0.0000 0.0000 0.1612 ( 6343 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4353 -20.4353 -20.3178 -20.3178 -20.2582 -20.2582 -20.2543 -20.2543 -20.2412 -20.2412 -9.5868 -9.5868 -6.4429 -6.4429 -2.4727 -2.4727 1.0645 1.0645 1.4111 1.4111 2.7610 2.7610 3.1210 3.1210 3.6101 3.6101 5.9753 5.9753 6.6457 6.6457 6.9691 6.9691 8.3446 8.3446 k = 0.0000 0.0000 0.1773 ( 6339 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4354 -20.4354 -20.3178 -20.3178 -20.2584 -20.2584 -20.2543 -20.2543 -20.2411 -20.2411 -9.5836 -9.5836 -6.4419 -6.4419 -2.4774 -2.4774 1.0051 1.0051 1.4138 1.4138 2.7618 2.7618 3.1118 3.1118 3.6179 3.6179 6.0633 6.0633 6.6227 6.6227 7.0096 7.0096 8.3505 8.3505 k = 0.0000 0.0000 0.1934 ( 6353 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4355 -20.4355 -20.3177 -20.3177 -20.2586 -20.2586 -20.2544 -20.2544 -20.2411 -20.2411 -9.5801 -9.5801 -6.4407 -6.4407 -2.4824 -2.4824 0.9422 0.9422 1.4169 1.4169 2.7635 2.7635 3.1043 3.1043 3.6254 3.6254 6.1542 6.1542 6.5986 6.5986 7.0534 7.0534 8.3569 8.3569 k = 0.0000 0.0000 0.2095 ( 6353 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4356 -20.4356 -20.3177 -20.3177 -20.2587 -20.2587 -20.2544 -20.2544 -20.2410 -20.2410 -9.5765 -9.5765 -6.4394 -6.4394 -2.4876 -2.4876 0.8766 0.8766 1.4203 1.4203 2.7658 2.7658 3.0989 3.0989 3.6329 3.6329 6.2473 6.2473 6.5735 6.5735 7.1005 7.1005 8.3637 8.3637 k = 0.0000 0.0000 0.2256 ( 6353 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4357 -20.4357 -20.3176 -20.3176 -20.2589 -20.2589 -20.2544 -20.2544 -20.2409 -20.2409 -9.5728 -9.5728 -6.4380 -6.4380 -2.4930 -2.4930 0.8090 0.8090 1.4239 1.4239 2.7684 2.7684 3.0958 3.0958 3.6402 3.6402 6.3419 6.3419 6.5478 6.5478 7.1505 7.1505 8.3709 8.3709 k = 0.0000 0.0000 0.2417 ( 6361 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4358 -20.4358 -20.3176 -20.3176 -20.2591 -20.2591 -20.2544 -20.2544 -20.2408 -20.2408 -9.5689 -9.5689 -6.4364 -6.4364 -2.4987 -2.4987 0.7400 0.7400 1.4278 1.4278 2.7709 2.7709 3.0953 3.0953 3.6474 3.6474 6.4373 6.4373 6.5216 6.5216 7.2034 7.2034 8.3785 8.3785 k = 0.0000 0.0000 0.2579 ( 6349 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4359 -20.4359 -20.3175 -20.3175 -20.2592 -20.2592 -20.2544 -20.2544 -20.2407 -20.2407 -9.5648 -9.5648 -6.4348 -6.4348 -2.5044 -2.5044 0.6703 0.6703 1.4318 1.4318 2.7729 2.7729 3.0974 3.0974 3.6547 3.6547 6.4942 6.4942 6.5343 6.5343 7.2589 7.2589 8.3864 8.3864 k = 0.0000 0.0000 0.2740 ( 6344 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4360 -20.4360 -20.3174 -20.3174 -20.2594 -20.2594 -20.2544 -20.2544 -20.2406 -20.2406 -9.5607 -9.5607 -6.4330 -6.4330 -2.5103 -2.5103 0.6004 0.6004 1.4360 1.4360 2.7740 2.7740 3.1024 3.1024 3.6621 3.6621 6.4680 6.4680 6.6300 6.6300 7.3167 7.3167 8.3946 8.3946 k = 0.0000 0.0000 0.2901 ( 6350 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4361 -20.4361 -20.3174 -20.3174 -20.2597 -20.2597 -20.2544 -20.2544 -20.2405 -20.2405 -9.5566 -9.5566 -6.4312 -6.4312 -2.5162 -2.5162 0.5307 0.5307 1.4402 1.4402 2.7741 2.7741 3.1102 3.1102 3.6695 3.6695 6.4414 6.4414 6.7258 6.7258 7.3767 7.3767 8.4030 8.4030 k = 0.0000 0.0000 0.3062 ( 6350 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4362 -20.4362 -20.3173 -20.3173 -20.2598 -20.2598 -20.2544 -20.2544 -20.2405 -20.2405 -9.5524 -9.5524 -6.4293 -6.4293 -2.5222 -2.5222 0.4619 0.4619 1.4444 1.4444 2.7731 2.7731 3.1205 3.1205 3.6772 3.6772 6.4152 6.4152 6.8211 6.8211 7.4386 7.4386 8.4116 8.4116 k = 0.0000 0.0000 0.3223 ( 6362 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4363 -20.4363 -20.3173 -20.3173 -20.2601 -20.2601 -20.2545 -20.2545 -20.2404 -20.2404 -9.5482 -9.5482 -6.4273 -6.4273 -2.5281 -2.5281 0.3944 0.3944 1.4487 1.4487 2.7710 2.7710 3.1332 3.1332 3.6850 3.6850 6.3893 6.3893 6.9155 6.9155 7.5019 7.5019 8.4203 8.4203 k = 0.0000 0.0000 0.3384 ( 6366 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4364 -20.4364 -20.3172 -20.3172 -20.2603 -20.2603 -20.2545 -20.2545 -20.2403 -20.2403 -9.5441 -9.5441 -6.4252 -6.4252 -2.5340 -2.5340 0.3284 0.3284 1.4529 1.4529 2.7680 2.7680 3.1477 3.1477 3.6930 3.6930 6.3640 6.3640 7.0089 7.0089 7.5665 7.5665 8.4290 8.4290 k = 0.0000 0.0000 0.3546 ( 6356 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4365 -20.4365 -20.3172 -20.3172 -20.2604 -20.2604 -20.2544 -20.2544 -20.2402 -20.2402 -9.5400 -9.5400 -6.4231 -6.4231 -2.5398 -2.5398 0.2645 0.2645 1.4570 1.4570 2.7641 2.7641 3.1637 3.1637 3.7013 3.7013 6.3395 6.3395 7.1010 7.1010 7.6319 7.6319 8.4378 8.4378 k = 0.0000 0.0000 0.3707 ( 6352 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4366 -20.4366 -20.3171 -20.3171 -20.2606 -20.2606 -20.2544 -20.2544 -20.2401 -20.2401 -9.5360 -9.5360 -6.4210 -6.4210 -2.5454 -2.5454 0.2030 0.2030 1.4611 1.4611 2.7595 2.7595 3.1807 3.1807 3.7098 3.7098 6.3158 6.3158 7.1915 7.1915 7.6977 7.6977 8.4465 8.4465 k = 0.0000 0.0000 0.3868 ( 6348 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4366 -20.4366 -20.3171 -20.3171 -20.2607 -20.2607 -20.2544 -20.2544 -20.2400 -20.2400 -9.5321 -9.5321 -6.4188 -6.4188 -2.5509 -2.5509 0.1441 0.1441 1.4650 1.4650 2.7546 2.7546 3.1983 3.1983 3.7186 3.7186 6.2931 6.2931 7.2803 7.2803 7.7633 7.7633 8.4551 8.4551 k = 0.0000 0.0000 0.4029 ( 6340 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4367 -20.4367 -20.3170 -20.3170 -20.2609 -20.2609 -20.2544 -20.2544 -20.2399 -20.2399 -9.5283 -9.5283 -6.4167 -6.4167 -2.5561 -2.5561 0.0882 0.0882 1.4687 1.4687 2.7494 2.7494 3.2160 3.2160 3.7276 3.7276 6.2715 6.2715 7.3671 7.3671 7.8284 7.8284 8.4637 8.4637 k = 0.0000 0.0000 0.4190 ( 6344 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4368 -20.4368 -20.3170 -20.3170 -20.2611 -20.2611 -20.2544 -20.2544 -20.2398 -20.2398 -9.5247 -9.5247 -6.4146 -6.4146 -2.5612 -2.5612 0.0354 0.0354 1.4723 1.4723 2.7441 2.7441 3.2335 3.2335 3.7367 3.7367 6.2511 6.2511 7.4515 7.4515 7.8922 7.8922 8.4722 8.4722 k = 0.0000 0.0000 0.4351 ( 6340 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4368 -20.4368 -20.3170 -20.3170 -20.2612 -20.2612 -20.2543 -20.2543 -20.2398 -20.2398 -9.5213 -9.5213 -6.4125 -6.4125 -2.5659 -2.5659 -0.0139 -0.0139 1.4757 1.4757 2.7388 2.7388 3.2504 3.2504 3.7460 3.7460 6.2320 6.2320 7.5332 7.5332 7.9542 7.9542 8.4805 8.4805 k = 0.0000 0.0000 0.4513 ( 6326 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4369 -20.4369 -20.3169 -20.3169 -20.2613 -20.2613 -20.2542 -20.2542 -20.2397 -20.2397 -9.5181 -9.5181 -6.4105 -6.4105 -2.5703 -2.5703 -0.0597 -0.0597 1.4788 1.4788 2.7337 2.7337 3.2665 3.2665 3.7552 3.7552 6.2143 6.2143 7.6118 7.6118 8.0135 8.0135 8.4889 8.4889 k = 0.0000 0.0000 0.4674 ( 6322 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4370 -20.4370 -20.3168 -20.3168 -20.2615 -20.2615 -20.2542 -20.2542 -20.2396 -20.2396 -9.5152 -9.5152 -6.4087 -6.4087 -2.5744 -2.5744 -0.1016 -0.1016 1.4817 1.4817 2.7288 2.7288 3.2815 3.2815 3.7643 3.7643 6.1981 6.1981 7.6869 7.6869 8.0693 8.0693 8.4972 8.4972 k = 0.0000 0.0000 0.4835 ( 6320 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4370 -20.4370 -20.3167 -20.3167 -20.2616 -20.2616 -20.2542 -20.2542 -20.2394 -20.2394 -9.5125 -9.5125 -6.4069 -6.4069 -2.5781 -2.5781 -0.1395 -0.1395 1.4844 1.4844 2.7243 2.7243 3.2952 3.2952 3.7731 3.7731 6.1834 6.1834 7.7579 7.7579 8.1207 8.1207 8.5058 8.5058 k = 0.0000 0.0000 0.4996 ( 6320 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4371 -20.4371 -20.3167 -20.3167 -20.2617 -20.2617 -20.2542 -20.2542 -20.2394 -20.2394 -9.5101 -9.5101 -6.4053 -6.4053 -2.5815 -2.5815 -0.1733 -0.1733 1.4867 1.4867 2.7202 2.7202 3.3075 3.3075 3.7815 3.7815 6.1703 6.1703 7.8241 7.8241 8.1667 8.1667 8.5147 8.5147 k = 0.0000 0.0000 0.5157 ( 6322 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4372 -20.4372 -20.3167 -20.3167 -20.2618 -20.2618 -20.2542 -20.2542 -20.2393 -20.2393 -9.5079 -9.5079 -6.4039 -6.4039 -2.5844 -2.5844 -0.2029 -0.2029 1.4888 1.4888 2.7165 2.7165 3.3182 3.3182 3.7892 3.7892 6.1588 6.1588 7.8849 7.8849 8.2063 8.2063 8.5240 8.5240 k = 0.0000 0.0000 0.5318 ( 6310 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4372 -20.4372 -20.3166 -20.3166 -20.2619 -20.2619 -20.2542 -20.2542 -20.2392 -20.2392 -9.5061 -9.5061 -6.4026 -6.4026 -2.5870 -2.5870 -0.2281 -0.2281 1.4906 1.4906 2.7134 2.7134 3.3274 3.3274 3.7961 3.7961 6.1491 6.1491 7.9395 7.9395 8.2388 8.2388 8.5338 8.5338 k = 0.0000 0.0000 0.5480 ( 6316 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4372 -20.4372 -20.3166 -20.3166 -20.2620 -20.2620 -20.2542 -20.2542 -20.2392 -20.2392 -9.5046 -9.5046 -6.4015 -6.4015 -2.5891 -2.5891 -0.2489 -0.2489 1.4920 1.4920 2.7108 2.7108 3.3349 3.3349 3.8021 3.8021 6.1410 6.1410 7.9867 7.9867 8.2638 8.2638 8.5437 8.5437 k = 0.0000 0.0000 0.5641 ( 6306 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4372 -20.4372 -20.3166 -20.3166 -20.2620 -20.2620 -20.2542 -20.2542 -20.2392 -20.2392 -9.5034 -9.5034 -6.4007 -6.4007 -2.5907 -2.5907 -0.2651 -0.2651 1.4932 1.4932 2.7087 2.7087 3.3408 3.3408 3.8069 3.8069 6.1347 6.1347 8.0256 8.0256 8.2816 8.2816 8.5531 8.5531 k = 0.0000 0.0000 0.5802 ( 6306 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4372 -20.4372 -20.3166 -20.3166 -20.2620 -20.2620 -20.2542 -20.2542 -20.2392 -20.2392 -9.5025 -9.5025 -6.4001 -6.4001 -2.5919 -2.5919 -0.2767 -0.2767 1.4940 1.4940 2.7072 2.7072 3.3450 3.3450 3.8104 3.8104 6.1302 6.1302 8.0548 8.0548 8.2929 8.2929 8.5609 8.5609 k = 0.0000 0.0000 0.5963 ( 6304 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2621 -20.2621 -20.2542 -20.2542 -20.2391 -20.2391 -9.5020 -9.5020 -6.3997 -6.3997 -2.5926 -2.5926 -0.2837 -0.2837 1.4945 1.4945 2.7063 2.7063 3.3475 3.3475 3.8126 3.8126 6.1275 6.1275 8.0730 8.0730 8.2990 8.2990 8.5661 8.5661 k = 0.0000 0.0000 0.6124 ( 6300 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2621 -20.2621 -20.2542 -20.2542 -20.2391 -20.2391 -9.5019 -9.5019 -6.3996 -6.3996 -2.5928 -2.5928 -0.2861 -0.2861 1.4947 1.4947 2.7060 2.7060 3.3483 3.3483 3.8133 3.8133 6.1266 6.1266 8.0793 8.0793 8.3009 8.3009 8.5679 8.5679 k = 0.0000 0.0000 0.6124 ( 6300 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2621 -20.2621 -20.2542 -20.2542 -20.2391 -20.2391 -9.5019 -9.5019 -6.3996 -6.3996 -2.5928 -2.5928 -0.2861 -0.2861 1.4947 1.4947 2.7060 2.7060 3.3483 3.3483 3.8133 3.8133 6.1266 6.1266 8.0793 8.0793 8.3009 8.3009 8.5679 8.5679 k =-0.0132 0.0093 0.6124 ( 6296 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2620 -20.2620 -20.2542 -20.2542 -20.2391 -20.2391 -9.5017 -9.5017 -6.3996 -6.3996 -2.5932 -2.5932 -0.2853 -0.2853 1.4927 1.4927 2.7053 2.7053 3.3491 3.3491 3.8132 3.8132 6.1289 6.1289 8.0852 8.0852 8.3011 8.3011 8.5676 8.5676 k =-0.0263 0.0186 0.6124 ( 6302 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2620 -20.2620 -20.2542 -20.2542 -20.2391 -20.2391 -9.5014 -9.5014 -6.3997 -6.3997 -2.5943 -2.5943 -0.2830 -0.2830 1.4869 1.4869 2.7034 2.7034 3.3513 3.3513 3.8128 3.8128 6.1360 6.1360 8.1028 8.1028 8.3018 8.3018 8.5667 8.5667 k =-0.0395 0.0279 0.6124 ( 6298 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4373 -20.4373 -20.3165 -20.3165 -20.2620 -20.2620 -20.2542 -20.2542 -20.2391 -20.2391 -9.5009 -9.5009 -6.3998 -6.3998 -2.5963 -2.5963 -0.2791 -0.2791 1.4772 1.4772 2.7004 2.7004 3.3548 3.3548 3.8123 3.8123 6.1477 6.1477 8.1318 8.1318 8.3031 8.3031 8.5652 8.5652 k =-0.0526 0.0372 0.6124 ( 6298 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3164 -20.3164 -20.2621 -20.2621 -20.2543 -20.2543 -20.2390 -20.2390 -9.5001 -9.5001 -6.3999 -6.3999 -2.5989 -2.5989 -0.2738 -0.2738 1.4635 1.4635 2.6969 2.6969 3.3596 3.3596 3.8115 3.8115 6.1640 6.1640 8.1713 8.1713 8.3053 8.3053 8.5631 8.5631 k =-0.0658 0.0465 0.6124 ( 6292 PWs) bands (ev): -48.4248 -48.4248 -48.4106 -48.4106 -20.5251 -20.5251 -20.4374 -20.4374 -20.3164 -20.3164 -20.2621 -20.2621 -20.2543 -20.2543 -20.2389 -20.2389 -9.4992 -9.4992 -6.4001 -6.4001 -2.6023 -2.6023 -0.2669 -0.2669 1.4457 1.4457 2.6934 2.6934 3.3654 3.3654 3.8106 3.8106 6.1849 6.1849 8.2186 8.2186 8.3104 8.3104 8.5604 8.5604 k =-0.0789 0.0558 0.6124 ( 6292 PWs) bands (ev): -48.4248 -48.4248 -48.4106 -48.4106 -20.5251 -20.5251 -20.4374 -20.4374 -20.3163 -20.3163 -20.2621 -20.2621 -20.2544 -20.2544 -20.2389 -20.2389 -9.4981 -9.4981 -6.4003 -6.4003 -2.6064 -2.6064 -0.2586 -0.2586 1.4238 1.4238 2.6904 2.6904 3.3720 3.3720 3.8095 3.8095 6.2103 6.2103 8.2617 8.2617 8.3293 8.3293 8.5571 8.5571 k =-0.0921 0.0651 0.6124 ( 6306 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4374 -20.4374 -20.3164 -20.3164 -20.2622 -20.2622 -20.2544 -20.2544 -20.2389 -20.2389 -9.4967 -9.4967 -6.4005 -6.4005 -2.6111 -2.6111 -0.2489 -0.2489 1.3978 1.3978 2.6884 2.6884 3.3793 3.3793 3.8084 3.8084 6.2402 6.2402 8.2769 8.2769 8.3832 8.3832 8.5533 8.5533 k =-0.1052 0.0744 0.6124 ( 6304 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4375 -20.4375 -20.3163 -20.3163 -20.2622 -20.2622 -20.2545 -20.2545 -20.2388 -20.2388 -9.4952 -9.4952 -6.4007 -6.4007 -2.6165 -2.6165 -0.2378 -0.2378 1.3678 1.3678 2.6880 2.6880 3.3871 3.3871 3.8072 3.8072 6.2744 6.2744 8.2708 8.2708 8.4609 8.4609 8.5490 8.5490 k =-0.1184 0.0837 0.6124 ( 6304 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4375 -20.4375 -20.3163 -20.3163 -20.2622 -20.2622 -20.2545 -20.2545 -20.2388 -20.2388 -9.4935 -9.4935 -6.4010 -6.4010 -2.6225 -2.6225 -0.2254 -0.2254 1.3338 1.3338 2.6897 2.6897 3.3953 3.3953 3.8059 3.8059 6.3129 6.3129 8.2432 8.2432 8.5009 8.5009 8.5445 8.5445 k =-0.1315 0.0930 0.6124 ( 6304 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4375 -20.4375 -20.3162 -20.3162 -20.2622 -20.2622 -20.2546 -20.2546 -20.2387 -20.2387 -9.4917 -9.4917 -6.4012 -6.4012 -2.6290 -2.6290 -0.2117 -0.2117 1.2961 1.2961 2.6935 2.6935 3.4037 3.4037 3.8048 3.8048 6.3556 6.3556 8.1770 8.1770 8.4292 8.4292 8.5393 8.5393 k =-0.1447 0.1023 0.6124 ( 6298 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5253 -20.5253 -20.4375 -20.4375 -20.3162 -20.3162 -20.2622 -20.2622 -20.2546 -20.2546 -20.2387 -20.2387 -9.4897 -9.4897 -6.4014 -6.4014 -2.6359 -2.6359 -0.1968 -0.1968 1.2550 1.2550 2.6999 2.6999 3.4123 3.4123 3.8037 3.8037 6.4022 6.4022 8.0716 8.0716 8.3969 8.3969 8.5337 8.5337 k =-0.1578 0.1116 0.6124 ( 6302 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5253 -20.5253 -20.4376 -20.4376 -20.3161 -20.3161 -20.2623 -20.2623 -20.2547 -20.2547 -20.2386 -20.2386 -9.4876 -9.4876 -6.4017 -6.4017 -2.6434 -2.6434 -0.1807 -0.1807 1.2108 1.2108 2.7088 2.7088 3.4210 3.4210 3.8028 3.8028 6.4528 6.4528 7.9469 7.9469 8.3854 8.3854 8.5278 8.5278 k =-0.1710 0.1209 0.6124 ( 6298 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5253 -20.5253 -20.4376 -20.4376 -20.3160 -20.3160 -20.2623 -20.2623 -20.2547 -20.2547 -20.2385 -20.2385 -9.4854 -9.4854 -6.4019 -6.4019 -2.6512 -2.6512 -0.1637 -0.1637 1.1641 1.1641 2.7201 2.7201 3.4298 3.4298 3.8022 3.8022 6.5071 6.5071 7.8157 7.8157 8.3826 8.3826 8.5217 8.5217 k =-0.1841 0.1302 0.6124 ( 6304 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5254 -20.5254 -20.4376 -20.4376 -20.3160 -20.3160 -20.2623 -20.2623 -20.2548 -20.2548 -20.2385 -20.2385 -9.4830 -9.4830 -6.4021 -6.4021 -2.6593 -2.6593 -0.1456 -0.1456 1.1151 1.1151 2.7338 2.7338 3.4387 3.4387 3.8019 3.8019 6.5650 6.5650 7.6831 7.6831 8.3836 8.3836 8.5152 8.5152 k =-0.1973 0.1395 0.6124 ( 6312 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5254 -20.5254 -20.4377 -20.4377 -20.3160 -20.3160 -20.2624 -20.2624 -20.2549 -20.2549 -20.2384 -20.2384 -9.4806 -9.4806 -6.4022 -6.4022 -2.6677 -2.6677 -0.1267 -0.1267 1.0645 1.0645 2.7496 2.7496 3.4477 3.4477 3.8021 3.8021 6.6263 6.6263 7.5513 7.5513 8.3867 8.3867 8.5086 8.5086 k =-0.2104 0.1488 0.6124 ( 6328 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5255 -20.5255 -20.4378 -20.4378 -20.3159 -20.3159 -20.2625 -20.2625 -20.2550 -20.2550 -20.2383 -20.2383 -9.4781 -9.4781 -6.4023 -6.4023 -2.6763 -2.6763 -0.1071 -0.1071 1.0126 1.0126 2.7673 2.7673 3.4567 3.4567 3.8027 3.8027 6.6907 6.6907 7.4213 7.4213 8.3911 8.3911 8.5018 8.5018 k =-0.2236 0.1581 0.6124 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4379 -20.4379 -20.3158 -20.3158 -20.2626 -20.2626 -20.2550 -20.2550 -20.2382 -20.2382 -9.4756 -9.4756 -6.4024 -6.4024 -2.6850 -2.6850 -0.0869 -0.0869 0.9599 0.9599 2.7867 2.7867 3.4658 3.4658 3.8038 3.8038 6.7580 6.7580 7.2939 7.2939 8.3961 8.3961 8.4950 8.4950 k =-0.2367 0.1674 0.6124 ( 6320 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5255 -20.5255 -20.4380 -20.4380 -20.3157 -20.3157 -20.2626 -20.2626 -20.2551 -20.2551 -20.2381 -20.2381 -9.4730 -9.4730 -6.4024 -6.4024 -2.6938 -2.6938 -0.0661 -0.0661 0.9070 0.9070 2.8073 2.8073 3.4749 3.4749 3.8056 3.8056 6.8280 6.8280 7.1696 7.1696 8.4015 8.4015 8.4880 8.4880 k =-0.2499 0.1767 0.6124 ( 6316 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4380 -20.4380 -20.3156 -20.3156 -20.2627 -20.2627 -20.2552 -20.2552 -20.2379 -20.2379 -9.4704 -9.4704 -6.4024 -6.4024 -2.7026 -2.7026 -0.0450 -0.0450 0.8543 0.8543 2.8288 2.8288 3.4841 3.4841 3.8082 3.8082 6.8998 6.8998 7.0493 7.0493 8.4072 8.4072 8.4811 8.4811 k =-0.2630 0.1860 0.6124 ( 6324 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4381 -20.4381 -20.3156 -20.3156 -20.2628 -20.2628 -20.2552 -20.2552 -20.2379 -20.2379 -9.4679 -9.4679 -6.4024 -6.4024 -2.7114 -2.7114 -0.0237 -0.0237 0.8021 0.8021 2.8510 2.8510 3.4933 3.4933 3.8116 3.8116 6.9264 6.9264 6.9802 6.9802 8.4129 8.4129 8.4742 8.4742 k =-0.2762 0.1953 0.6124 ( 6328 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4382 -20.4382 -20.3155 -20.3155 -20.2629 -20.2629 -20.2553 -20.2553 -20.2378 -20.2378 -9.4653 -9.4653 -6.4023 -6.4023 -2.7201 -2.7201 -0.0023 -0.0023 0.7509 0.7509 2.8735 2.8735 3.5026 3.5026 3.8158 3.8158 6.8163 6.8163 7.0536 7.0536 8.4185 8.4185 8.4674 8.4674 k =-0.2893 0.2046 0.6124 ( 6324 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4382 -20.4382 -20.3154 -20.3154 -20.2630 -20.2630 -20.2553 -20.2553 -20.2377 -20.2377 -9.4628 -9.4628 -6.4021 -6.4021 -2.7286 -2.7286 0.0190 0.0190 0.7011 0.7011 2.8959 2.8959 3.5118 3.5118 3.8209 3.8209 6.7077 6.7077 7.1314 7.1314 8.4238 8.4238 8.4607 8.4607 k =-0.3025 0.2139 0.6124 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4383 -20.4383 -20.3153 -20.3153 -20.2631 -20.2631 -20.2554 -20.2554 -20.2375 -20.2375 -9.4603 -9.4603 -6.4019 -6.4019 -2.7369 -2.7369 0.0400 0.0400 0.6530 0.6530 2.9180 2.9180 3.5209 3.5209 3.8270 3.8270 6.6033 6.6033 7.2107 7.2107 8.4287 8.4287 8.4543 8.4543 k =-0.3156 0.2232 0.6124 ( 6326 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4384 -20.4384 -20.3152 -20.3152 -20.2632 -20.2632 -20.2555 -20.2555 -20.2374 -20.2374 -9.4579 -9.4579 -6.4017 -6.4017 -2.7450 -2.7450 0.0604 0.0604 0.6069 0.6069 2.9394 2.9394 3.5300 3.5300 3.8341 3.8341 6.5037 6.5037 7.2907 7.2907 8.4330 8.4330 8.4483 8.4483 k =-0.3288 0.2325 0.6124 ( 6332 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4385 -20.4385 -20.3152 -20.3152 -20.2633 -20.2633 -20.2555 -20.2555 -20.2373 -20.2373 -9.4556 -9.4556 -6.4015 -6.4015 -2.7527 -2.7527 0.0802 0.0802 0.5632 0.5632 2.9600 2.9600 3.5388 3.5388 3.8420 3.8420 6.4092 6.4092 7.3710 7.3710 8.4358 8.4358 8.4434 8.4434 k =-0.3420 0.2419 0.6124 ( 6336 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4385 -20.4385 -20.3151 -20.3151 -20.2634 -20.2634 -20.2556 -20.2556 -20.2373 -20.2373 -9.4534 -9.4534 -6.4012 -6.4012 -2.7601 -2.7601 0.0989 0.0989 0.5222 0.5222 2.9795 2.9795 3.5474 3.5474 3.8507 3.8507 6.3200 6.3200 7.4512 7.4512 8.4341 8.4341 8.4426 8.4426 k =-0.3551 0.2512 0.6124 ( 6340 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4386 -20.4386 -20.3151 -20.3151 -20.2634 -20.2634 -20.2556 -20.2556 -20.2372 -20.2372 -9.4513 -9.4513 -6.4009 -6.4009 -2.7670 -2.7670 0.1165 0.1165 0.4842 0.4842 2.9977 2.9977 3.5557 3.5557 3.8601 3.8601 6.2364 6.2364 7.5306 7.5306 8.4294 8.4294 8.4442 8.4442 k =-0.3683 0.2605 0.6124 ( 6336 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4386 -20.4386 -20.3151 -20.3151 -20.2635 -20.2635 -20.2556 -20.2556 -20.2372 -20.2372 -9.4493 -9.4493 -6.4006 -6.4006 -2.7735 -2.7735 0.1326 0.1326 0.4495 0.4495 3.0145 3.0145 3.5636 3.5636 3.8700 3.8700 6.1588 6.1588 7.6086 7.6086 8.4245 8.4245 8.4453 8.4453 k =-0.3814 0.2698 0.6124 ( 6332 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4387 -20.4387 -20.3150 -20.3150 -20.2635 -20.2635 -20.2556 -20.2556 -20.2371 -20.2371 -9.4475 -9.4475 -6.4003 -6.4003 -2.7795 -2.7795 0.1468 0.1468 0.4186 0.4186 3.0298 3.0298 3.5711 3.5711 3.8803 3.8803 6.0873 6.0873 7.6846 7.6846 8.4198 8.4198 8.4454 8.4454 k =-0.3946 0.2791 0.6124 ( 6334 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4387 -20.4387 -20.3149 -20.3149 -20.2636 -20.2636 -20.2557 -20.2557 -20.2370 -20.2370 -9.4458 -9.4458 -6.4000 -6.4000 -2.7850 -2.7850 0.1588 0.1588 0.3916 0.3916 3.0436 3.0436 3.5779 3.5779 3.8905 3.8905 6.0224 6.0224 7.7579 7.7579 8.4155 8.4155 8.4441 8.4441 k =-0.4077 0.2884 0.6124 ( 6336 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5258 -20.5258 -20.4388 -20.4388 -20.3149 -20.3149 -20.2637 -20.2637 -20.2557 -20.2557 -20.2369 -20.2369 -9.4443 -9.4443 -6.3997 -6.3997 -2.7899 -2.7899 0.1682 0.1682 0.3691 0.3691 3.0557 3.0557 3.5842 3.5842 3.9005 3.9005 5.9642 5.9642 7.8276 7.8276 8.4116 8.4116 8.4414 8.4414 k =-0.4209 0.2977 0.6124 ( 6332 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4388 -20.4388 -20.3148 -20.3148 -20.2638 -20.2638 -20.2557 -20.2557 -20.2369 -20.2369 -9.4430 -9.4430 -6.3995 -6.3995 -2.7942 -2.7942 0.1749 0.1749 0.3512 0.3512 3.0661 3.0661 3.5899 3.5899 3.9100 3.9100 5.9131 5.9131 7.8928 7.8928 8.4081 8.4081 8.4372 8.4372 k =-0.4340 0.3070 0.6124 ( 6328 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4388 -20.4388 -20.3148 -20.3148 -20.2638 -20.2638 -20.2557 -20.2557 -20.2368 -20.2368 -9.4419 -9.4419 -6.3992 -6.3992 -2.7979 -2.7979 0.1787 0.1787 0.3379 0.3379 3.0750 3.0750 3.5947 3.5947 3.9186 3.9186 5.8693 5.8693 7.9525 7.9525 8.4049 8.4049 8.4316 8.4316 k =-0.4472 0.3163 0.6124 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3147 -20.3147 -20.2638 -20.2638 -20.2557 -20.2557 -20.2367 -20.2367 -9.4410 -9.4410 -6.3990 -6.3990 -2.8009 -2.8009 0.1800 0.1800 0.3289 0.3289 3.0822 3.0822 3.5988 3.5988 3.9262 3.9262 5.8331 5.8331 8.0055 8.0055 8.4021 8.4021 8.4248 8.4248 k =-0.4603 0.3256 0.6124 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3147 -20.3147 -20.2639 -20.2639 -20.2558 -20.2558 -20.2367 -20.2367 -9.4402 -9.4402 -6.3989 -6.3989 -2.8033 -2.8033 0.1797 0.1797 0.3232 0.3232 3.0878 3.0878 3.6021 3.6021 3.9323 3.9323 5.8046 5.8046 8.0502 8.0502 8.3994 8.3994 8.4177 8.4177 k =-0.4735 0.3349 0.6124 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3147 -20.3147 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4397 -9.4397 -6.3987 -6.3987 -2.8050 -2.8050 0.1785 0.1785 0.3201 0.3201 3.0917 3.0917 3.6045 3.6045 3.9369 3.9369 5.7841 5.7841 8.0849 8.0849 8.3965 8.3965 8.4115 8.4115 k =-0.4866 0.3442 0.6124 ( 6330 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4390 -20.4390 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4394 -9.4394 -6.3987 -6.3987 -2.8061 -2.8061 0.1775 0.1775 0.3186 0.3186 3.0941 3.0941 3.6059 3.6059 3.9397 3.9397 5.7717 5.7717 8.1072 8.1072 8.3937 8.3937 8.4077 8.4077 k =-0.4998 0.3535 0.6124 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k =-0.4998 0.3535 0.6124 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k =-0.4999 0.3536 0.6123 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k =-0.4999 0.3536 0.6123 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k =-0.4906 0.3470 0.6009 ( 6330 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4390 -20.4390 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4394 -9.4394 -6.3987 -6.3987 -2.8061 -2.8061 0.1775 0.1775 0.3186 0.3186 3.0941 3.0941 3.6059 3.6059 3.9397 3.9397 5.7716 5.7716 8.1074 8.1074 8.3929 8.3929 8.4084 8.4084 k =-0.4814 0.3405 0.5896 ( 6318 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4397 -9.4397 -6.3987 -6.3987 -2.8050 -2.8050 0.1788 0.1788 0.3198 0.3198 3.0918 3.0918 3.6045 3.6045 3.9369 3.9369 5.7839 5.7839 8.0861 8.0861 8.3890 8.3890 8.4180 8.4180 k =-0.4721 0.3339 0.5783 ( 6314 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3146 -20.3146 -20.2639 -20.2639 -20.2557 -20.2557 -20.2366 -20.2366 -9.4402 -9.4402 -6.3989 -6.3989 -2.8033 -2.8033 0.1808 0.1808 0.3220 0.3220 3.0879 3.0879 3.6022 3.6022 3.9323 3.9323 5.8041 5.8041 8.0544 8.0544 8.3791 8.3791 8.4340 8.4340 k =-0.4629 0.3274 0.5669 ( 6314 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4389 -20.4389 -20.3147 -20.3147 -20.2638 -20.2638 -20.2557 -20.2557 -20.2367 -20.2367 -9.4410 -9.4410 -6.3990 -6.3990 -2.8010 -2.8010 0.1837 0.1837 0.3251 0.3251 3.0825 3.0825 3.5990 3.5990 3.9261 3.9261 5.8321 5.8321 8.0151 8.0151 8.3645 8.3645 8.4525 8.4525 k =-0.4536 0.3208 0.5556 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4388 -20.4388 -20.3147 -20.3147 -20.2638 -20.2638 -20.2557 -20.2557 -20.2368 -20.2368 -9.4419 -9.4419 -6.3993 -6.3993 -2.7979 -2.7979 0.1872 0.1872 0.3294 0.3294 3.0756 3.0756 3.5950 3.5950 3.9182 3.9182 5.8675 5.8675 7.9706 7.9706 8.3457 8.3457 8.4712 8.4712 k =-0.4443 0.3143 0.5443 ( 6338 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5258 -20.5258 -20.4388 -20.4388 -20.3149 -20.3149 -20.2638 -20.2638 -20.2557 -20.2557 -20.2369 -20.2369 -9.4431 -9.4431 -6.3995 -6.3995 -2.7942 -2.7942 0.1914 0.1914 0.3348 0.3348 3.0672 3.0672 3.5902 3.5902 3.9090 3.9090 5.9102 5.9102 7.9224 7.9224 8.3231 8.3231 8.4889 8.4889 k =-0.4351 0.3077 0.5329 ( 6338 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5258 -20.5258 -20.4388 -20.4388 -20.3149 -20.3149 -20.2637 -20.2637 -20.2557 -20.2557 -20.2370 -20.2370 -9.4444 -9.4444 -6.3999 -6.3999 -2.7899 -2.7899 0.1962 0.1962 0.3416 0.3416 3.0574 3.0574 3.5846 3.5846 3.8986 3.8986 5.9596 5.9596 7.8714 7.8714 8.2969 8.2969 8.5049 8.5049 k =-0.4258 0.3012 0.5216 ( 6346 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5258 -20.5258 -20.4387 -20.4387 -20.3150 -20.3150 -20.2636 -20.2636 -20.2557 -20.2557 -20.2371 -20.2371 -9.4460 -9.4460 -6.4003 -6.4003 -2.7850 -2.7850 0.2016 0.2016 0.3498 0.3498 3.0463 3.0463 3.5784 3.5784 3.8871 3.8871 6.0154 6.0154 7.8186 7.8186 8.2673 8.2673 8.5188 8.5188 k =-0.4166 0.2946 0.5102 ( 6338 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4387 -20.4387 -20.3150 -20.3150 -20.2635 -20.2635 -20.2556 -20.2556 -20.2371 -20.2371 -9.4478 -9.4478 -6.4008 -6.4008 -2.7795 -2.7795 0.2076 0.2076 0.3596 0.3596 3.0340 3.0340 3.5715 3.5715 3.8748 3.8748 6.0772 6.0772 7.7644 7.7644 8.2348 8.2348 8.5306 8.5306 k =-0.4073 0.2881 0.4989 ( 6334 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4386 -20.4386 -20.3151 -20.3151 -20.2634 -20.2634 -20.2556 -20.2556 -20.2372 -20.2372 -9.4498 -9.4498 -6.4013 -6.4013 -2.7734 -2.7734 0.2141 0.2141 0.3711 0.3711 3.0205 3.0205 3.5639 3.5639 3.8618 3.8618 6.1445 6.1445 7.7096 7.7096 8.1994 8.1994 8.5402 8.5402 k =-0.3981 0.2815 0.4876 ( 6342 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4385 -20.4385 -20.3151 -20.3151 -20.2634 -20.2634 -20.2556 -20.2556 -20.2373 -20.2373 -9.4519 -9.4519 -6.4019 -6.4019 -2.7668 -2.7668 0.2213 0.2213 0.3842 0.3842 3.0061 3.0061 3.5556 3.5556 3.8485 3.8485 6.2168 6.2168 7.6543 7.6543 8.1616 8.1616 8.5477 8.5477 k =-0.3888 0.2750 0.4762 ( 6342 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4385 -20.4385 -20.3152 -20.3152 -20.2633 -20.2633 -20.2556 -20.2556 -20.2374 -20.2374 -9.4543 -9.4543 -6.4025 -6.4025 -2.7596 -2.7596 0.2292 0.2292 0.3991 0.3991 2.9907 2.9907 3.5464 3.5464 3.8349 3.8349 6.2934 6.2934 7.5992 7.5992 8.1217 8.1217 8.5532 8.5532 k =-0.3795 0.2684 0.4649 ( 6334 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4384 -20.4384 -20.3152 -20.3152 -20.2632 -20.2632 -20.2556 -20.2556 -20.2374 -20.2374 -9.4569 -9.4569 -6.4032 -6.4032 -2.7520 -2.7520 0.2379 0.2379 0.4157 0.4157 2.9746 2.9746 3.5364 3.5364 3.8214 3.8214 6.3740 6.3740 7.5444 7.5444 8.0798 8.0798 8.5568 8.5568 k =-0.3703 0.2619 0.4535 ( 6342 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4384 -20.4384 -20.3153 -20.3153 -20.2631 -20.2631 -20.2556 -20.2556 -20.2376 -20.2376 -9.4597 -9.4597 -6.4040 -6.4040 -2.7439 -2.7439 0.2476 0.2476 0.4339 0.4339 2.9580 2.9580 3.5255 3.5255 3.8081 3.8081 6.4577 6.4577 7.4903 7.4903 8.0363 8.0363 8.5587 8.5587 k =-0.3610 0.2553 0.4422 ( 6334 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4383 -20.4383 -20.3154 -20.3154 -20.2629 -20.2629 -20.2555 -20.2555 -20.2376 -20.2376 -9.4627 -9.4627 -6.4049 -6.4049 -2.7354 -2.7354 0.2583 0.2583 0.4537 0.4537 2.9408 2.9408 3.5135 3.5135 3.7952 3.7952 6.5439 6.5439 7.4372 7.4372 7.9914 7.9914 8.5590 8.5590 k =-0.3518 0.2488 0.4309 ( 6334 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4382 -20.4382 -20.3154 -20.3154 -20.2628 -20.2628 -20.2555 -20.2555 -20.2377 -20.2377 -9.4659 -9.4659 -6.4058 -6.4058 -2.7265 -2.7265 0.2702 0.2702 0.4751 0.4751 2.9234 2.9234 3.5005 3.5005 3.7828 3.7828 6.6318 6.6318 7.3853 7.3853 7.9454 7.9454 8.5579 8.5579 k =-0.3425 0.2422 0.4195 ( 6330 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4381 -20.4381 -20.3155 -20.3155 -20.2626 -20.2626 -20.2555 -20.2555 -20.2378 -20.2378 -9.4692 -9.4692 -6.4069 -6.4069 -2.7173 -2.7173 0.2835 0.2835 0.4980 0.4980 2.9058 2.9058 3.4864 3.4864 3.7712 3.7712 6.7206 6.7206 7.3347 7.3347 7.8986 7.8986 8.5556 8.5556 k =-0.3333 0.2357 0.4082 ( 6310 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4380 -20.4380 -20.3155 -20.3155 -20.2625 -20.2625 -20.2554 -20.2554 -20.2379 -20.2379 -9.4728 -9.4728 -6.4079 -6.4079 -2.7078 -2.7078 0.2983 0.2983 0.5222 0.5222 2.8883 2.8883 3.4713 3.4713 3.7603 3.7603 6.8090 6.8090 7.2858 7.2858 7.8511 7.8511 8.5521 8.5521 k =-0.3240 0.2292 0.3968 ( 6326 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4379 -20.4379 -20.3157 -20.3157 -20.2623 -20.2623 -20.2554 -20.2554 -20.2381 -20.2381 -9.4765 -9.4765 -6.4091 -6.4091 -2.6980 -2.6980 0.3146 0.3146 0.5478 0.5478 2.8708 2.8708 3.4551 3.4551 3.7502 3.7502 6.8959 6.8959 7.2387 7.2387 7.8032 7.8032 8.5477 8.5477 k =-0.3147 0.2226 0.3855 ( 6318 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4378 -20.4378 -20.3158 -20.3158 -20.2621 -20.2621 -20.2553 -20.2553 -20.2382 -20.2382 -9.4804 -9.4804 -6.4103 -6.4103 -2.6879 -2.6879 0.3326 0.3326 0.5746 0.5746 2.8537 2.8537 3.4380 3.4380 3.7409 3.7409 6.9797 6.9797 7.1939 7.1939 7.7552 7.7552 8.5424 8.5424 k =-0.3055 0.2161 0.3742 ( 6318 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4377 -20.4377 -20.3159 -20.3159 -20.2620 -20.2620 -20.2553 -20.2553 -20.2384 -20.2384 -9.4844 -9.4844 -6.4116 -6.4116 -2.6777 -2.6777 0.3524 0.3524 0.6025 0.6025 2.8369 2.8369 3.4200 3.4200 3.7324 3.7324 7.0574 7.0574 7.1527 7.1527 7.7071 7.7071 8.5365 8.5365 k =-0.2962 0.2095 0.3628 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5255 -20.5255 -20.4375 -20.4375 -20.3160 -20.3160 -20.2618 -20.2618 -20.2552 -20.2552 -20.2386 -20.2386 -9.4886 -9.4886 -6.4129 -6.4129 -2.6673 -2.6673 0.3740 0.3740 0.6315 0.6315 2.8206 2.8206 3.4014 3.4014 3.7246 3.7246 7.0973 7.0973 7.1452 7.1452 7.6591 7.6591 8.5300 8.5300 k =-0.2870 0.2030 0.3515 ( 6318 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5254 -20.5254 -20.4374 -20.4374 -20.3161 -20.3161 -20.2616 -20.2616 -20.2551 -20.2551 -20.2387 -20.2387 -9.4929 -9.4929 -6.4143 -6.4143 -2.6569 -2.6569 0.3974 0.3974 0.6614 0.6614 2.8049 2.8049 3.3822 3.3822 3.7175 3.7175 7.0652 7.0652 7.2038 7.2038 7.6115 7.6115 8.5230 8.5230 k =-0.2777 0.1964 0.3402 ( 6330 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5254 -20.5254 -20.4373 -20.4373 -20.3162 -20.3162 -20.2615 -20.2615 -20.2551 -20.2551 -20.2389 -20.2389 -9.4973 -9.4973 -6.4157 -6.4157 -2.6463 -2.6463 0.4227 0.4227 0.6921 0.6921 2.7900 2.7900 3.3627 3.3627 3.7109 3.7109 7.0294 7.0294 7.2581 7.2581 7.5643 7.5643 8.5156 8.5156 k =-0.2685 0.1899 0.3288 ( 6342 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5254 -20.5254 -20.4373 -20.4373 -20.3163 -20.3163 -20.2613 -20.2613 -20.2551 -20.2551 -20.2390 -20.2390 -9.5019 -9.5019 -6.4171 -6.4171 -2.6357 -2.6357 0.4499 0.4499 0.7236 0.7236 2.7759 2.7759 3.3430 3.3430 3.7049 3.7049 6.9951 6.9951 7.3006 7.3006 7.5177 7.5177 8.5079 8.5079 k =-0.2592 0.1833 0.3175 ( 6350 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5254 -20.5254 -20.4372 -20.4372 -20.3164 -20.3164 -20.2612 -20.2612 -20.2551 -20.2551 -20.2392 -20.2392 -9.5065 -9.5065 -6.4186 -6.4186 -2.6251 -2.6251 0.4791 0.4791 0.7557 0.7557 2.7626 2.7626 3.3233 3.3233 3.6993 3.6993 6.9631 6.9631 7.3290 7.3290 7.4719 7.4719 8.4999 8.4999 k =-0.2499 0.1768 0.3061 ( 6334 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5253 -20.5253 -20.4370 -20.4370 -20.3165 -20.3165 -20.2610 -20.2610 -20.2550 -20.2550 -20.2393 -20.2393 -9.5113 -9.5113 -6.4202 -6.4202 -2.6146 -2.6146 0.5100 0.5100 0.7884 0.7884 2.7504 2.7504 3.3038 3.3038 3.6941 3.6941 6.9334 6.9334 7.3415 7.3415 7.4269 7.4269 8.4915 8.4915 k =-0.2407 0.1702 0.2948 ( 6342 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5253 -20.5253 -20.4369 -20.4369 -20.3166 -20.3166 -20.2608 -20.2608 -20.2550 -20.2550 -20.2394 -20.2394 -9.5161 -9.5161 -6.4217 -6.4217 -2.6042 -2.6042 0.5428 0.5428 0.8214 0.8214 2.7392 2.7392 3.2846 3.2846 3.6891 3.6891 6.9060 6.9060 7.3373 7.3373 7.3830 7.3830 8.4829 8.4829 k =-0.2314 0.1637 0.2835 ( 6342 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5253 -20.5253 -20.4368 -20.4368 -20.3167 -20.3167 -20.2606 -20.2606 -20.2550 -20.2550 -20.2396 -20.2396 -9.5209 -9.5209 -6.4233 -6.4233 -2.5939 -2.5939 0.5773 0.5773 0.8548 0.8548 2.7291 2.7291 3.2659 3.2659 3.6843 3.6843 6.8810 6.8810 7.3162 7.3162 7.3403 7.3403 8.4738 8.4738 k =-0.2222 0.1571 0.2721 ( 6343 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4367 -20.4367 -20.3168 -20.3168 -20.2604 -20.2604 -20.2550 -20.2550 -20.2397 -20.2397 -9.5258 -9.5258 -6.4248 -6.4248 -2.5837 -2.5837 0.6134 0.6134 0.8883 0.8883 2.7203 2.7203 3.2478 3.2478 3.6797 3.6797 6.8584 6.8584 7.2791 7.2791 7.2986 7.2986 8.4645 8.4645 k =-0.2129 0.1506 0.2608 ( 6351 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5252 -20.5252 -20.4367 -20.4367 -20.3169 -20.3169 -20.2603 -20.2603 -20.2550 -20.2550 -20.2398 -20.2398 -9.5307 -9.5307 -6.4264 -6.4264 -2.5738 -2.5738 0.6510 0.6510 0.9219 0.9219 2.7126 2.7126 3.2305 3.2305 3.6753 3.6753 6.8382 6.8382 7.2277 7.2277 7.2576 7.2576 8.4549 8.4549 k =-0.2037 0.1440 0.2494 ( 6347 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4366 -20.4366 -20.3169 -20.3169 -20.2601 -20.2601 -20.2549 -20.2549 -20.2399 -20.2399 -9.5356 -9.5356 -6.4280 -6.4280 -2.5640 -2.5640 0.6900 0.6900 0.9554 0.9554 2.7063 2.7063 3.2141 3.2141 3.6708 3.6708 6.8202 6.8202 7.1631 7.1631 7.2179 7.2179 8.4452 8.4452 k =-0.1944 0.1375 0.2381 ( 6345 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4364 -20.4364 -20.3170 -20.3170 -20.2599 -20.2599 -20.2549 -20.2549 -20.2401 -20.2401 -9.5405 -9.5405 -6.4295 -6.4295 -2.5545 -2.5545 0.7301 0.7301 0.9886 0.9886 2.7013 2.7013 3.1988 3.1988 3.6664 3.6664 6.8046 6.8046 7.0873 7.0873 7.1797 7.1797 8.4354 8.4354 k =-0.1851 0.1309 0.2268 ( 6343 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4363 -20.4363 -20.3171 -20.3171 -20.2598 -20.2598 -20.2548 -20.2548 -20.2402 -20.2402 -9.5453 -9.5453 -6.4310 -6.4310 -2.5453 -2.5453 0.7713 0.7713 1.0216 1.0216 2.6977 2.6977 3.1847 3.1847 3.6620 3.6620 6.7910 6.7910 7.0022 7.0022 7.1430 7.1430 8.4256 8.4256 k =-0.1759 0.1244 0.2154 ( 6335 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4362 -20.4362 -20.3172 -20.3172 -20.2596 -20.2596 -20.2547 -20.2547 -20.2403 -20.2403 -9.5501 -9.5501 -6.4325 -6.4325 -2.5364 -2.5364 0.8132 0.8132 1.0540 1.0540 2.6955 2.6955 3.1719 3.1719 3.6575 3.6575 6.7795 6.7795 6.9098 6.9098 7.1079 7.1079 8.4160 8.4160 k =-0.1666 0.1179 0.2041 ( 6331 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4361 -20.4361 -20.3172 -20.3172 -20.2594 -20.2594 -20.2547 -20.2547 -20.2404 -20.2404 -9.5548 -9.5548 -6.4339 -6.4339 -2.5279 -2.5279 0.8556 0.8556 1.0858 1.0858 2.6947 2.6947 3.1606 3.1606 3.6529 3.6529 6.7696 6.7696 6.8124 6.8124 7.0743 7.0743 8.4066 8.4066 k =-0.1574 0.1113 0.1928 ( 6337 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4360 -20.4360 -20.3173 -20.3173 -20.2592 -20.2592 -20.2546 -20.2546 -20.2405 -20.2405 -9.5593 -9.5593 -6.4353 -6.4353 -2.5197 -2.5197 0.8982 0.8982 1.1169 1.1169 2.6953 2.6953 3.1508 3.1508 3.6482 3.6482 6.7090 6.7090 6.7636 6.7636 7.0422 7.0422 8.3974 8.3974 k =-0.1481 0.1048 0.1814 ( 6347 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4359 -20.4359 -20.3174 -20.3174 -20.2591 -20.2591 -20.2546 -20.2546 -20.2406 -20.2406 -9.5638 -9.5638 -6.4366 -6.4366 -2.5119 -2.5119 0.9408 0.9408 1.1471 1.1471 2.6972 2.6972 3.1428 3.1428 3.6432 3.6432 6.6051 6.6051 6.7574 6.7574 7.0118 7.0118 8.3886 8.3886 k =-0.1389 0.0982 0.1701 ( 6351 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4358 -20.4358 -20.3175 -20.3175 -20.2589 -20.2589 -20.2546 -20.2546 -20.2408 -20.2408 -9.5681 -9.5681 -6.4379 -6.4379 -2.5044 -2.5044 0.9830 0.9830 1.1763 1.1763 2.7005 2.7005 3.1366 3.1366 3.6381 3.6381 6.4996 6.4996 6.7532 6.7532 6.9831 6.9831 8.3802 8.3802 k =-0.1296 0.0917 0.1587 ( 6351 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4357 -20.4357 -20.3176 -20.3176 -20.2588 -20.2588 -20.2545 -20.2545 -20.2409 -20.2409 -9.5722 -9.5722 -6.4391 -6.4391 -2.4974 -2.4974 1.0244 1.0244 1.2044 1.2044 2.7050 2.7050 3.1323 3.1323 3.6327 3.6327 6.3941 6.3941 6.7504 6.7504 6.9561 6.9561 8.3721 8.3721 k =-0.1203 0.0851 0.1474 ( 6367 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4356 -20.4356 -20.3177 -20.3177 -20.2586 -20.2586 -20.2545 -20.2545 -20.2411 -20.2411 -9.5762 -9.5762 -6.4403 -6.4403 -2.4909 -2.4909 1.0646 1.0646 1.2313 1.2313 2.7106 2.7106 3.1301 3.1301 3.6270 3.6270 6.2897 6.2897 6.7490 6.7490 6.9308 6.9308 8.3646 8.3646 k =-0.1111 0.0786 0.1361 ( 6367 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4355 -20.4355 -20.3178 -20.3178 -20.2585 -20.2585 -20.2545 -20.2545 -20.2411 -20.2411 -9.5799 -9.5799 -6.4414 -6.4414 -2.4847 -2.4847 1.1034 1.1034 1.2568 1.2568 2.7172 2.7172 3.1299 3.1299 3.6209 3.6209 6.1874 6.1874 6.7487 6.7487 6.9073 6.9073 8.3575 8.3575 k =-0.1018 0.0720 0.1247 ( 6375 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4355 -20.4355 -20.3179 -20.3179 -20.2584 -20.2584 -20.2545 -20.2545 -20.2412 -20.2412 -9.5834 -9.5834 -6.4424 -6.4424 -2.4790 -2.4790 1.1403 1.1403 1.2810 1.2810 2.7245 2.7245 3.1320 3.1320 3.6144 3.6144 6.0882 6.0882 6.7493 6.7493 6.8856 6.8856 8.3509 8.3509 k =-0.0926 0.0655 0.1134 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4353 -20.4353 -20.3179 -20.3179 -20.2582 -20.2582 -20.2544 -20.2544 -20.2413 -20.2413 -9.5867 -9.5867 -6.4433 -6.4433 -2.4738 -2.4738 1.1749 1.1749 1.3038 1.3038 2.7323 2.7323 3.1363 3.1363 3.6076 3.6076 5.9930 5.9930 6.7507 6.7507 6.8657 6.8657 8.3449 8.3449 k =-0.0833 0.0589 0.1020 ( 6371 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5250 -20.5250 -20.4353 -20.4353 -20.3180 -20.3180 -20.2581 -20.2581 -20.2544 -20.2544 -20.2414 -20.2414 -9.5897 -9.5897 -6.4442 -6.4442 -2.4691 -2.4691 1.2069 1.2069 1.3250 1.3250 2.7404 2.7404 3.1427 3.1427 3.6003 3.6003 5.9029 5.9029 6.7527 6.7527 6.8476 6.8476 8.3394 8.3394 k =-0.0741 0.0524 0.0907 ( 6383 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4352 -20.4352 -20.3180 -20.3180 -20.2581 -20.2581 -20.2544 -20.2544 -20.2415 -20.2415 -9.5925 -9.5925 -6.4449 -6.4449 -2.4648 -2.4648 1.2360 1.2360 1.3445 1.3445 2.7485 2.7485 3.1511 3.1511 3.5925 3.5925 5.8188 5.8188 6.7550 6.7550 6.8314 6.8314 8.3345 8.3345 k =-0.0648 0.0458 0.0794 ( 6399 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5251 -20.5251 -20.4352 -20.4352 -20.3181 -20.3181 -20.2580 -20.2580 -20.2544 -20.2544 -20.2416 -20.2416 -9.5949 -9.5949 -6.4456 -6.4456 -2.4610 -2.4610 1.2618 1.2618 1.3624 1.3624 2.7562 2.7562 3.1613 3.1613 3.5845 3.5845 5.7415 5.7415 6.7575 6.7575 6.8171 6.8171 8.3302 8.3302 k =-0.0555 0.0393 0.0680 ( 6391 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4352 -20.4352 -20.3181 -20.3181 -20.2579 -20.2579 -20.2543 -20.2543 -20.2416 -20.2416 -9.5971 -9.5971 -6.4462 -6.4462 -2.4578 -2.4578 1.2842 1.2842 1.3785 1.3785 2.7634 2.7634 3.1727 3.1727 3.5762 3.5762 5.6721 5.6721 6.7601 6.7601 6.8048 6.8048 8.3265 8.3265 k =-0.0463 0.0327 0.0567 ( 6383 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4351 -20.4351 -20.3182 -20.3182 -20.2578 -20.2578 -20.2543 -20.2543 -20.2417 -20.2417 -9.5989 -9.5989 -6.4467 -6.4467 -2.4550 -2.4550 1.3031 1.3031 1.3926 1.3926 2.7699 2.7699 3.1848 3.1848 3.5679 3.5679 5.6115 5.6115 6.7625 6.7625 6.7943 6.7943 8.3234 8.3234 k =-0.0370 0.0262 0.0454 ( 6379 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5250 -20.5250 -20.4350 -20.4350 -20.3182 -20.3182 -20.2577 -20.2577 -20.2543 -20.2543 -20.2417 -20.2417 -9.6004 -9.6004 -6.4471 -6.4471 -2.4527 -2.4527 1.3185 1.3185 1.4046 1.4046 2.7753 2.7753 3.1968 3.1968 3.5600 3.5600 5.5605 5.5605 6.7645 6.7645 6.7859 6.7859 8.3208 8.3208 k =-0.0278 0.0196 0.0340 ( 6375 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2577 -20.2577 -20.2543 -20.2543 -20.2417 -20.2417 -9.6016 -9.6016 -6.4474 -6.4474 -2.4509 -2.4509 1.3303 1.3303 1.4142 1.4142 2.7797 2.7797 3.2076 3.2076 3.5529 3.5529 5.5199 5.5199 6.7659 6.7659 6.7797 6.7797 8.3189 8.3189 k =-0.0185 0.0131 0.0227 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3181 -20.3181 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6025 -9.6025 -6.4476 -6.4476 -2.4497 -2.4497 1.3386 1.3386 1.4212 1.4212 2.7829 2.7829 3.2164 3.2164 3.5472 3.5472 5.4903 5.4903 6.7664 6.7664 6.7757 6.7757 8.3175 8.3175 k =-0.0093 0.0065 0.0113 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3181 -20.3181 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6030 -9.6030 -6.4478 -6.4478 -2.4489 -2.4489 1.3436 1.3436 1.4255 1.4255 2.7848 2.7848 3.2222 3.2222 3.5434 3.5434 5.4724 5.4724 6.7661 6.7661 6.7740 6.7740 8.3167 8.3167 k = 0.0000 0.0000 0.0000 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6032 -9.6032 -6.4478 -6.4478 -2.4486 -2.4486 1.3453 1.3453 1.4269 1.4269 2.7855 2.7855 3.2242 3.2242 3.5421 3.5421 5.4664 5.4664 6.7658 6.7658 6.7737 6.7737 8.3164 8.3164 k = 0.0000 0.0000 0.0000 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5249 -20.5249 -20.4350 -20.4350 -20.3182 -20.3182 -20.2576 -20.2576 -20.2542 -20.2542 -20.2417 -20.2417 -9.6032 -9.6032 -6.4478 -6.4478 -2.4486 -2.4486 1.3453 1.3453 1.4269 1.4269 2.7855 2.7855 3.2242 3.2242 3.5421 3.5421 5.4664 5.4664 6.7658 6.7658 6.7737 6.7737 8.3164 8.3164 k = 0.0093 0.0131 0.0000 ( 6363 PWs) bands (ev): -48.4249 -48.4249 -48.4106 -48.4106 -20.5248 -20.5248 -20.4350 -20.4350 -20.3181 -20.3181 -20.2576 -20.2576 -20.2543 -20.2543 -20.2417 -20.2417 -9.6026 -9.6026 -6.4498 -6.4498 -2.4446 -2.4446 1.3462 1.3462 1.4276 1.4276 2.7814 2.7814 3.2200 3.2200 3.5347 3.5347 5.4678 5.4678 6.7723 6.7723 6.7806 6.7806 8.3225 8.3225 k = 0.0185 0.0262 0.0000 ( 6371 PWs) bands (ev): -48.4249 -48.4249 -48.4107 -48.4107 -20.5245 -20.5245 -20.4351 -20.4351 -20.3181 -20.3181 -20.2575 -20.2575 -20.2546 -20.2546 -20.2418 -20.2418 -9.6011 -9.6011 -6.4557 -6.4557 -2.4324 -2.4324 1.3489 1.3489 1.4295 1.4295 2.7692 2.7692 3.2075 3.2075 3.5125 3.5125 5.4722 5.4722 6.7915 6.7915 6.8015 6.8015 8.3408 8.3408 k = 0.0278 0.0393 0.0000 ( 6375 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5240 -20.5240 -20.4353 -20.4353 -20.3181 -20.3181 -20.2575 -20.2575 -20.2551 -20.2551 -20.2419 -20.2419 -9.5985 -9.5985 -6.4654 -6.4654 -2.4122 -2.4122 1.3535 1.3535 1.4326 1.4326 2.7492 2.7492 3.1871 3.1871 3.4760 3.4760 5.4796 5.4796 6.8231 6.8231 6.8358 6.8358 8.3706 8.3706 k = 0.0370 0.0524 0.0000 ( 6379 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5233 -20.5233 -20.4355 -20.4355 -20.3180 -20.3180 -20.2574 -20.2574 -20.2557 -20.2557 -20.2420 -20.2420 -9.5949 -9.5949 -6.4787 -6.4787 -2.3843 -2.3843 1.3598 1.3598 1.4368 1.4368 2.7219 2.7219 3.1595 3.1595 3.4259 3.4259 5.4900 5.4900 6.8669 6.8669 6.8830 6.8830 8.4112 8.4112 k = 0.0463 0.0655 0.0000 ( 6379 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5223 -20.5223 -20.4359 -20.4359 -20.3178 -20.3178 -20.2572 -20.2572 -20.2566 -20.2566 -20.2422 -20.2422 -9.5903 -9.5903 -6.4953 -6.4953 -2.3489 -2.3489 1.3677 1.3677 1.4421 1.4421 2.6878 2.6878 3.1253 3.1253 3.3631 3.3631 5.5034 5.5034 6.9222 6.9222 6.9425 6.9425 8.4615 8.4615 k = 0.0556 0.0786 0.0000 ( 6391 PWs) bands (ev): -48.4245 -48.4245 -48.4111 -48.4111 -20.5212 -20.5212 -20.4362 -20.4362 -20.3177 -20.3177 -20.2575 -20.2575 -20.2570 -20.2570 -20.2425 -20.2425 -9.5847 -9.5847 -6.5151 -6.5151 -2.3063 -2.3063 1.3772 1.3772 1.4482 1.4482 2.6478 2.6478 3.0856 3.0856 3.2888 3.2888 5.5200 5.5200 6.9883 6.9883 7.0133 7.0133 8.5203 8.5203 k = 0.0648 0.0916 0.0000 ( 6399 PWs) bands (ev): -48.4244 -48.4244 -48.4112 -48.4112 -20.5198 -20.5198 -20.4368 -20.4368 -20.3175 -20.3175 -20.2588 -20.2588 -20.2569 -20.2569 -20.2427 -20.2427 -9.5783 -9.5783 -6.5375 -6.5375 -2.2569 -2.2569 1.3881 1.3881 1.4550 1.4550 2.6025 2.6025 3.0413 3.0413 3.2041 3.2041 5.5397 5.5397 7.0645 7.0645 7.0945 7.0945 8.5861 8.5861 k = 0.0741 0.1047 0.0000 ( 6383 PWs) bands (ev): -48.4242 -48.4242 -48.4114 -48.4114 -20.5181 -20.5181 -20.4374 -20.4374 -20.3172 -20.3172 -20.2601 -20.2601 -20.2566 -20.2566 -20.2430 -20.2430 -9.5709 -9.5709 -6.5624 -6.5624 -2.2012 -2.2012 1.4002 1.4002 1.4623 1.4623 2.5529 2.5529 2.9935 2.9935 3.1104 3.1104 5.5626 5.5626 7.1500 7.1500 7.1854 7.1854 8.5015 8.6577 k = 0.0833 0.1178 0.0000 ( 6375 PWs) bands (ev): -48.4240 -48.4240 -48.4116 -48.4116 -20.5164 -20.5164 -20.4380 -20.4380 -20.3169 -20.3169 -20.2615 -20.2615 -20.2563 -20.2563 -20.2433 -20.2433 -9.5628 -9.5628 -6.5892 -6.5892 -2.1397 -2.1397 1.4132 1.4132 1.4697 1.4697 2.4999 2.4999 2.9434 2.9434 3.0088 3.0088 5.5887 5.5887 7.2440 7.2440 7.2848 7.2848 8.4198 8.4198 k = 0.0926 0.1309 0.0000 ( 6359 PWs) bands (ev): -48.4238 -48.4238 -48.4118 -48.4118 -20.5144 -20.5144 -20.4387 -20.4387 -20.3164 -20.3164 -20.2631 -20.2631 -20.2560 -20.2560 -20.2435 -20.2435 -9.5539 -9.5539 -6.6176 -6.6176 -2.0728 -2.0728 1.4267 1.4267 1.4769 1.4769 2.4443 2.4443 2.8921 2.8921 2.9009 2.9009 5.6180 5.6180 7.3457 7.3457 7.3921 7.3921 8.3342 8.3342 k = 0.1019 0.1440 0.0000 ( 6375 PWs) bands (ev): -48.4235 -48.4235 -48.4120 -48.4120 -20.5125 -20.5125 -20.4396 -20.4396 -20.3161 -20.3161 -20.2649 -20.2649 -20.2557 -20.2557 -20.2439 -20.2439 -9.5444 -9.5444 -6.6471 -6.6471 -2.0012 -2.0012 1.4403 1.4403 1.4834 1.4834 2.3870 2.3870 2.7881 2.7881 2.8406 2.8406 5.6506 5.6506 7.4544 7.4544 7.5062 7.5062 8.2457 8.2457 k = 0.1111 0.1571 0.0000 ( 6367 PWs) bands (ev): -48.4233 -48.4233 -48.4123 -48.4123 -20.5102 -20.5102 -20.4405 -20.4405 -20.3156 -20.3156 -20.2667 -20.2667 -20.2553 -20.2553 -20.2443 -20.2443 -9.5342 -9.5342 -6.6774 -6.6774 -1.9253 -1.9253 1.4532 1.4532 1.4887 1.4887 2.3287 2.3287 2.6720 2.6720 2.7902 2.7902 5.6864 5.6864 7.5692 7.5692 7.6264 7.6264 8.1552 8.1552 k = 0.1204 0.1702 0.0000 ( 6367 PWs) bands (ev): -48.4230 -48.4230 -48.4125 -48.4125 -20.5079 -20.5079 -20.4416 -20.4416 -20.3151 -20.3151 -20.2686 -20.2686 -20.2549 -20.2549 -20.2447 -20.2447 -9.5236 -9.5236 -6.7080 -6.7080 -1.8460 -1.8460 1.4647 1.4647 1.4922 1.4922 2.2698 2.2698 2.5548 2.5548 2.7421 2.7421 5.7255 5.7255 7.6895 7.6895 7.7519 7.7519 8.0632 8.0632 k = 0.1296 0.1833 0.0000 ( 6351 PWs) bands (ev): -48.4227 -48.4227 -48.4128 -48.4128 -20.5054 -20.5054 -20.4426 -20.4426 -20.3145 -20.3145 -20.2706 -20.2706 -20.2543 -20.2543 -20.2452 -20.2452 -9.5126 -9.5126 -6.7386 -6.7386 -1.7637 -1.7637 1.4735 1.4735 1.4932 1.4932 2.2096 2.2096 2.4400 2.4400 2.6973 2.6973 5.7679 5.7679 7.8144 7.8144 7.8820 7.8820 7.9704 7.9704 k = 0.1389 0.1964 0.0000 ( 6351 PWs) bands (ev): -48.4224 -48.4224 -48.4131 -48.4131 -20.5029 -20.5029 -20.4439 -20.4439 -20.3139 -20.3139 -20.2726 -20.2726 -20.2539 -20.2539 -20.2457 -20.2457 -9.5012 -9.5012 -6.7688 -6.7688 -1.6793 -1.6793 1.4781 1.4781 1.4910 1.4910 2.1446 2.1446 2.3339 2.3339 2.6572 2.6572 5.8134 5.8134 7.8772 7.8772 7.9433 7.9433 8.0161 8.0161 k = 0.1481 0.2095 0.0000 ( 6339 PWs) bands (ev): -48.4221 -48.4221 -48.4134 -48.4134 -20.5002 -20.5002 -20.4452 -20.4452 -20.3131 -20.3131 -20.2747 -20.2747 -20.2534 -20.2534 -20.2461 -20.2461 -9.4897 -9.4897 -6.7982 -6.7982 -1.5936 -1.5936 1.4771 1.4771 1.4849 1.4849 2.0668 2.0668 2.2478 2.2478 2.6227 2.6227 5.8622 5.8622 7.7841 7.7841 8.0754 8.0754 8.1532 8.1532 k = 0.1574 0.2226 0.0000 ( 6339 PWs) bands (ev): -48.4217 -48.4217 -48.4138 -48.4138 -20.4975 -20.4975 -20.4467 -20.4467 -20.3124 -20.3124 -20.2769 -20.2769 -20.2529 -20.2529 -20.2467 -20.2467 -9.4780 -9.4780 -6.8264 -6.8264 -1.5075 -1.5075 1.4687 1.4687 1.4741 1.4741 1.9711 1.9711 2.1899 2.1899 2.5948 2.5948 5.9142 5.9142 7.6914 7.6914 8.2098 8.2098 8.2926 8.2926 k = 0.1667 0.2357 0.0000 ( 6331 PWs) bands (ev): -48.4214 -48.4214 -48.4141 -48.4141 -20.4947 -20.4947 -20.4483 -20.4483 -20.3115 -20.3115 -20.2790 -20.2790 -20.2524 -20.2524 -20.2472 -20.2472 -9.4665 -9.4665 -6.8532 -6.8532 -1.4221 -1.4221 1.4516 1.4516 1.4583 1.4583 1.8637 1.8637 2.1567 2.1567 2.5744 2.5744 5.9695 5.9695 7.5994 7.5994 8.3459 8.3459 8.4337 8.4337 k = 0.1759 0.2487 0.0000 ( 6335 PWs) bands (ev): -48.4210 -48.4210 -48.4145 -48.4145 -20.4919 -20.4919 -20.4501 -20.4501 -20.3106 -20.3106 -20.2812 -20.2812 -20.2518 -20.2518 -20.2478 -20.2478 -9.4551 -9.4551 -6.8783 -6.8783 -1.3386 -1.3386 1.4255 1.4255 1.4372 1.4372 1.7530 1.7530 2.1420 2.1420 2.5618 2.5618 6.0279 6.0279 7.5084 7.5084 8.4826 8.4826 8.5755 8.5755 k = 0.1852 0.2618 0.0000 ( 6343 PWs) bands (ev): -48.4207 -48.4207 -48.4149 -48.4149 -20.4891 -20.4891 -20.4520 -20.4520 -20.3095 -20.3095 -20.2834 -20.2834 -20.2513 -20.2513 -20.2484 -20.2484 -9.4439 -9.4439 -6.9012 -6.9012 -1.2585 -1.2585 1.3910 1.3910 1.4108 1.4108 1.6443 1.6443 2.1418 2.1418 2.5572 2.5572 6.0896 6.0896 7.4187 7.4187 8.6189 8.6189 8.7171 8.7171 k = 0.1944 0.2749 0.0000 ( 6347 PWs) bands (ev): -48.4203 -48.4203 -48.4152 -48.4152 -20.4862 -20.4862 -20.4540 -20.4540 -20.3084 -20.3084 -20.2855 -20.2855 -20.2508 -20.2508 -20.2490 -20.2490 -9.4332 -9.4332 -6.9219 -6.9219 -1.1836 -1.1836 1.3492 1.3492 1.3793 1.3793 1.5411 1.5411 2.1532 2.1532 2.5606 2.5606 6.1544 6.1544 7.3303 7.3303 8.7536 8.7536 8.8573 8.8573 k = 0.2037 0.2880 0.0000 ( 6347 PWs) bands (ev): -48.4199 -48.4199 -48.4156 -48.4156 -20.4833 -20.4833 -20.4561 -20.4561 -20.3072 -20.3072 -20.2876 -20.2876 -20.2502 -20.2502 -20.2496 -20.2496 -9.4230 -9.4230 -6.9400 -6.9400 -1.1159 -1.1159 1.3020 1.3020 1.3434 1.3434 1.4461 1.4461 2.1741 2.1741 2.5715 2.5715 6.2224 6.2224 7.2435 7.2435 8.8850 8.8850 8.9948 8.9948 k = 0.2130 0.3011 0.0000 ( 6347 PWs) bands (ev): -48.4195 -48.4195 -48.4160 -48.4160 -20.4805 -20.4805 -20.4584 -20.4584 -20.3058 -20.3058 -20.2896 -20.2896 -20.2502 -20.2502 -20.2496 -20.2496 -9.4135 -9.4135 -6.9553 -6.9553 -1.0577 -1.0577 1.2512 1.2512 1.3036 1.3036 1.3618 1.3618 2.2026 2.2026 2.5894 2.5894 6.2936 6.2936 7.1584 7.1584 9.0113 9.0113 9.1280 9.1280 k = 0.2222 0.3142 0.0000 ( 6343 PWs) bands (ev): -48.4191 -48.4191 -48.4164 -48.4164 -20.4777 -20.4777 -20.4607 -20.4607 -20.3044 -20.3044 -20.2916 -20.2916 -20.2509 -20.2509 -20.2490 -20.2490 -9.4047 -9.4047 -6.9676 -6.9676 -1.0115 -1.0115 1.1988 1.1988 1.2607 1.2607 1.2903 1.2903 2.2373 2.2373 2.6137 2.6137 6.3679 6.3679 7.0751 7.0751 9.1300 9.1300 9.2549 9.2549 k = 0.2315 0.3273 0.0000 ( 6342 PWs) bands (ev): -48.4187 -48.4187 -48.4168 -48.4168 -20.4750 -20.4750 -20.4631 -20.4631 -20.3029 -20.3029 -20.2935 -20.2935 -20.2515 -20.2515 -20.2484 -20.2484 -9.3967 -9.3967 -6.9768 -6.9768 -0.9798 -0.9798 1.1460 1.1460 1.2154 1.2154 1.2341 1.2341 2.2770 2.2770 2.6436 2.6436 6.4454 6.4454 6.9939 6.9939 9.2374 9.2374 9.3731 9.3731 k = 0.2407 0.3404 0.0000 ( 6342 PWs) bands (ev): -48.4183 -48.4183 -48.4172 -48.4172 -20.4723 -20.4723 -20.4658 -20.4658 -20.3012 -20.3012 -20.2953 -20.2953 -20.2521 -20.2521 -20.2478 -20.2478 -9.3897 -9.3897 -6.9827 -6.9827 -0.9648 -0.9648 1.0924 1.0924 1.1684 1.1684 1.1968 1.1968 2.3209 2.3209 2.6785 2.6785 6.5260 6.5260 6.9147 6.9147 9.3287 9.3287 9.4799 9.4799 k = 0.2500 0.3535 0.0000 ( 6334 PWs) bands (ev): -48.4179 -48.4179 -48.4176 -48.4176 -20.4696 -20.4696 -20.4684 -20.4684 -20.2995 -20.2995 -20.2971 -20.2971 -20.2527 -20.2527 -20.2472 -20.2472 -9.3837 -9.3837 -6.9852 -6.9852 -0.9678 -0.9678 1.0376 1.0376 1.1202 1.1202 1.1807 1.1807 2.3682 2.3682 2.7179 2.7179 6.6098 6.6098 6.8376 6.8376 9.3970 9.3970 9.5718 9.5718 k = 0.2593 0.3666 0.0000 ( 6350 PWs) bands (ev): -48.4181 -48.4181 -48.4175 -48.4175 -20.4712 -20.4712 -20.4672 -20.4672 -20.2987 -20.2987 -20.2978 -20.2978 -20.2534 -20.2534 -20.2466 -20.2466 -9.3787 -9.3787 -6.9843 -6.9843 -0.9891 -0.9891 0.9822 0.9822 1.0714 1.0714 1.1861 1.1861 2.4184 2.4184 2.7611 2.7611 6.6966 6.6966 6.7629 6.7629 9.4357 9.4357 9.6455 9.6455 k = 0.2685 0.3797 0.0000 ( 6342 PWs) bands (ev): -48.4185 -48.4185 -48.4171 -48.4171 -20.4739 -20.4739 -20.4648 -20.4648 -20.3002 -20.3002 -20.2959 -20.2959 -20.2541 -20.2541 -20.2460 -20.2460 -9.3748 -9.3748 -6.9800 -6.9800 -1.0279 -1.0279 0.9270 0.9270 1.0225 1.0225 1.2117 1.2117 2.4711 2.4711 2.8078 2.8078 6.6904 6.6904 6.7866 6.7866 9.4444 9.4444 9.6906 9.6906 k = 0.2778 0.3928 0.0000 ( 6330 PWs) bands (ev): -48.4189 -48.4189 -48.4166 -48.4166 -20.4768 -20.4768 -20.4625 -20.4625 -20.3016 -20.3016 -20.2939 -20.2939 -20.2547 -20.2547 -20.2454 -20.2454 -9.3720 -9.3720 -6.9722 -6.9722 -1.0824 -1.0824 0.8727 0.8727 0.9738 0.9738 1.2554 1.2554 2.5259 2.5259 2.8573 2.8573 6.6204 6.6204 6.8796 6.8796 9.4298 9.4298 9.7019 9.7019 k = 0.2870 0.4058 0.0000 ( 6322 PWs) bands (ev): -48.4193 -48.4193 -48.4162 -48.4162 -20.4797 -20.4797 -20.4602 -20.4602 -20.3030 -20.3030 -20.2919 -20.2919 -20.2553 -20.2553 -20.2448 -20.2448 -9.3702 -9.3702 -6.9611 -6.9611 -1.1502 -1.1502 0.8196 0.8196 0.9258 0.9258 1.3146 1.3146 2.5823 2.5823 2.9094 2.9094 6.5528 6.5528 6.9756 6.9756 9.3991 9.3991 9.6996 9.6996 k = 0.2963 0.4189 0.0000 ( 6322 PWs) bands (ev): -48.4197 -48.4197 -48.4158 -48.4158 -20.4827 -20.4827 -20.4582 -20.4582 -20.3042 -20.3042 -20.2898 -20.2898 -20.2560 -20.2560 -20.2442 -20.2442 -9.3695 -9.3695 -6.9466 -6.9466 -1.2287 -1.2287 0.7679 0.7679 0.8786 0.8786 1.3869 1.3869 2.6402 2.6402 2.9637 2.9637 6.4877 6.4877 7.0746 7.0746 9.3571 9.3571 9.6805 9.6805 k = 0.3056 0.4320 0.0000 ( 6322 PWs) bands (ev): -48.4200 -48.4200 -48.4154 -48.4154 -20.4857 -20.4857 -20.4562 -20.4562 -20.3054 -20.3054 -20.2876 -20.2876 -20.2566 -20.2566 -20.2436 -20.2436 -9.3697 -9.3697 -6.9290 -6.9290 -1.3156 -1.3156 0.7178 0.7178 0.8325 0.8325 1.4695 1.4695 2.6993 2.6993 3.0197 3.0197 6.4252 6.4252 7.1766 7.1766 9.3065 9.3065 9.6448 9.6448 k = 0.3148 0.4451 0.0000 ( 6318 PWs) bands (ev): -48.4204 -48.4204 -48.4151 -48.4151 -20.4886 -20.4886 -20.4544 -20.4544 -20.3065 -20.3065 -20.2854 -20.2854 -20.2572 -20.2572 -20.2431 -20.2431 -9.3709 -9.3709 -6.9085 -6.9085 -1.4086 -1.4086 0.6696 0.6696 0.7877 0.7877 1.5602 1.5602 2.7592 2.7592 3.0772 3.0772 6.3653 6.3653 7.2816 7.2816 9.2490 9.2490 9.5945 9.5945 k = 0.3241 0.4582 0.0000 ( 6326 PWs) bands (ev): -48.4208 -48.4208 -48.4147 -48.4147 -20.4916 -20.4916 -20.4526 -20.4526 -20.3075 -20.3075 -20.2832 -20.2832 -20.2578 -20.2578 -20.2425 -20.2425 -9.3729 -9.3729 -6.8851 -6.8851 -1.5058 -1.5058 0.6232 0.6232 0.7444 0.7444 1.6571 1.6571 2.8196 2.8196 3.1359 3.1359 6.3081 6.3081 7.3893 7.3893 9.1860 9.1860 9.5324 9.5324 k = 0.3333 0.4713 0.0000 ( 6310 PWs) bands (ev): -48.4211 -48.4211 -48.4143 -48.4143 -20.4945 -20.4945 -20.4510 -20.4510 -20.3084 -20.3084 -20.2810 -20.2810 -20.2583 -20.2583 -20.2419 -20.2419 -9.3756 -9.3756 -6.8592 -6.8592 -1.6056 -1.6056 0.5788 0.5788 0.7027 0.7027 1.7584 1.7584 2.8803 2.8803 3.1953 3.1953 6.2537 6.2537 7.4999 7.4999 9.1184 9.1184 9.4614 9.4614 k = 0.3426 0.4844 0.0000 ( 6330 PWs) bands (ev): -48.4215 -48.4215 -48.4140 -48.4140 -20.4975 -20.4975 -20.4496 -20.4496 -20.3092 -20.3092 -20.2788 -20.2788 -20.2589 -20.2589 -20.2414 -20.2414 -9.3790 -9.3790 -6.8310 -6.8310 -1.7066 -1.7066 0.5365 0.5365 0.6628 0.6628 1.8626 1.8626 2.9410 2.9410 3.2551 3.2551 6.2019 6.2019 7.6131 7.6131 9.0472 9.0472 9.3839 9.3839 k = 0.3519 0.4975 0.0000 ( 6334 PWs) bands (ev): -48.4218 -48.4218 -48.4137 -48.4137 -20.5003 -20.5003 -20.4482 -20.4482 -20.3100 -20.3100 -20.2766 -20.2766 -20.2595 -20.2595 -20.2410 -20.2410 -9.3829 -9.3829 -6.8008 -6.8008 -1.8077 -1.8077 0.4964 0.4964 0.6248 0.6248 1.9685 1.9685 3.0014 3.0014 3.3151 3.3151 6.1529 6.1529 7.7290 7.7290 8.9734 8.9734 9.3021 9.3021 k = 0.3611 0.5106 0.0000 ( 6334 PWs) bands (ev): -48.4222 -48.4222 -48.4133 -48.4133 -20.5030 -20.5030 -20.4470 -20.4470 -20.3106 -20.3106 -20.2745 -20.2745 -20.2600 -20.2600 -20.2404 -20.2404 -9.3873 -9.3873 -6.7690 -6.7690 -1.9078 -1.9078 0.4584 0.4584 0.5887 0.5887 2.0748 2.0748 3.0610 3.0610 3.3747 3.3747 6.1068 6.1068 7.8473 7.8473 8.8978 8.8978 9.2180 9.2180 k = 0.3704 0.5237 0.0000 ( 6342 PWs) bands (ev): -48.4225 -48.4225 -48.4130 -48.4130 -20.5057 -20.5057 -20.4459 -20.4459 -20.3113 -20.3113 -20.2724 -20.2724 -20.2605 -20.2605 -20.2400 -20.2400 -9.3919 -9.3919 -6.7360 -6.7360 -2.0061 -2.0061 0.4227 0.4227 0.5547 0.5547 2.1806 2.1806 3.1196 3.1196 3.4337 3.4337 6.0635 6.0635 7.9679 7.9679 8.8213 8.8213 9.1329 9.1329 k = 0.3796 0.5368 0.0000 ( 6334 PWs) bands (ev): -48.4228 -48.4228 -48.4127 -48.4127 -20.5083 -20.5083 -20.4448 -20.4448 -20.3118 -20.3118 -20.2703 -20.2703 -20.2609 -20.2609 -20.2396 -20.2396 -9.3968 -9.3968 -6.7021 -6.7021 -2.1017 -2.1017 0.3893 0.3893 0.5227 0.5227 2.2848 2.2848 3.1769 3.1769 3.4917 3.4917 6.0230 6.0230 8.0905 8.0905 8.7447 8.7447 9.0484 9.0484 k = 0.3889 0.5499 0.0000 ( 6342 PWs) bands (ev): -48.4230 -48.4230 -48.4125 -48.4125 -20.5108 -20.5108 -20.4438 -20.4438 -20.3123 -20.3123 -20.2684 -20.2684 -20.2613 -20.2613 -20.2392 -20.2392 -9.4018 -9.4018 -6.6678 -6.6678 -2.1939 -2.1939 0.3583 0.3583 0.4930 0.4930 2.3865 2.3865 3.2323 3.2323 3.5482 3.5482 5.9855 5.9855 8.2147 8.2147 8.6691 8.6691 8.9655 8.9655 k = 0.3981 0.5629 0.0000 ( 6342 PWs) bands (ev): -48.4233 -48.4233 -48.4122 -48.4122 -20.5130 -20.5130 -20.4430 -20.4430 -20.3128 -20.3128 -20.2665 -20.2665 -20.2617 -20.2617 -20.2388 -20.2388 -9.4068 -9.4068 -6.6334 -6.6334 -2.2821 -2.2821 0.3296 0.3296 0.4654 0.4654 2.4848 2.4848 3.2855 3.2855 3.6027 3.6027 5.9509 5.9509 8.3398 8.3398 8.5955 8.5955 8.8853 8.8853 k = 0.4074 0.5760 0.0000 ( 6334 PWs) bands (ev): -48.4235 -48.4235 -48.4120 -48.4120 -20.5151 -20.5151 -20.4422 -20.4422 -20.3131 -20.3131 -20.2647 -20.2647 -20.2621 -20.2621 -20.2384 -20.2384 -9.4116 -9.4116 -6.5996 -6.5996 -2.3654 -2.3654 0.3033 0.3033 0.4401 0.4401 2.5788 2.5788 3.3360 3.3360 3.6548 3.6548 5.9192 5.9192 8.4601 8.4601 8.5302 8.5302 8.8089 8.8089 k = 0.4167 0.5891 0.0000 ( 6342 PWs) bands (ev): -48.4237 -48.4237 -48.4118 -48.4118 -20.5171 -20.5171 -20.4416 -20.4416 -20.3135 -20.3135 -20.2632 -20.2632 -20.2624 -20.2624 -20.2381 -20.2381 -9.4163 -9.4163 -6.5668 -6.5668 -2.4433 -2.4433 0.2795 0.2795 0.4172 0.4172 2.6677 2.6677 3.3835 3.3835 3.7041 3.7041 5.8905 5.8905 8.4491 8.4491 8.5986 8.5986 8.7382 8.7382 k = 0.4259 0.6022 0.0000 ( 6346 PWs) bands (ev): -48.4239 -48.4239 -48.4116 -48.4116 -20.5189 -20.5189 -20.4410 -20.4410 -20.3138 -20.3138 -20.2627 -20.2627 -20.2617 -20.2617 -20.2378 -20.2378 -9.4207 -9.4207 -6.5356 -6.5356 -2.5152 -2.5152 0.2581 0.2581 0.3965 0.3965 2.7505 2.7505 3.4274 3.4274 3.7500 3.7500 5.8648 5.8648 8.3867 8.3867 8.6619 8.6619 8.6857 8.6857 k = 0.4352 0.6153 0.0000 ( 6338 PWs) bands (ev): -48.4241 -48.4241 -48.4114 -48.4114 -20.5205 -20.5205 -20.4405 -20.4405 -20.3140 -20.3140 -20.2630 -20.2630 -20.2603 -20.2603 -20.2376 -20.2376 -9.4248 -9.4248 -6.5063 -6.5063 -2.5804 -2.5804 0.2391 0.2391 0.3782 0.3782 2.8263 2.8263 3.4674 3.4674 3.7920 3.7920 5.8420 5.8420 8.3278 8.3278 8.6051 8.6051 8.6235 8.6235 k = 0.4444 0.6284 0.0000 ( 6338 PWs) bands (ev): -48.4242 -48.4242 -48.4112 -48.4112 -20.5219 -20.5219 -20.4401 -20.4401 -20.3142 -20.3142 -20.2632 -20.2632 -20.2591 -20.2591 -20.2373 -20.2373 -9.4285 -9.4285 -6.4797 -6.4797 -2.6383 -2.6383 0.2227 0.2227 0.3624 0.3624 2.8942 2.8942 3.5030 3.5030 3.8297 3.8297 5.8223 5.8223 8.2744 8.2744 8.5511 8.5511 8.5681 8.5681 k = 0.4537 0.6415 0.0000 ( 6322 PWs) bands (ev): -48.4244 -48.4244 -48.4111 -48.4111 -20.5230 -20.5230 -20.4397 -20.4397 -20.3143 -20.3143 -20.2635 -20.2635 -20.2581 -20.2581 -20.2371 -20.2371 -9.4317 -9.4317 -6.4561 -6.4561 -2.6885 -2.6885 0.2088 0.2088 0.3489 0.3489 2.9535 2.9535 3.5339 3.5339 3.8625 3.8625 5.8056 5.8056 8.2276 8.2276 8.5040 8.5040 8.5200 8.5200 k = 0.4630 0.6546 0.0000 ( 6314 PWs) bands (ev): -48.4245 -48.4245 -48.4110 -48.4110 -20.5239 -20.5239 -20.4394 -20.4394 -20.3144 -20.3144 -20.2636 -20.2636 -20.2573 -20.2573 -20.2369 -20.2369 -9.4344 -9.4344 -6.4360 -6.4360 -2.7303 -2.7303 0.1974 0.1974 0.3378 0.3378 3.0033 3.0033 3.5596 3.5596 3.8901 3.8901 5.7919 5.7919 8.1881 8.1881 8.4645 8.4645 8.4799 8.4799 k = 0.4722 0.6677 0.0000 ( 6314 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5247 -20.5247 -20.4392 -20.4392 -20.3145 -20.3145 -20.2638 -20.2638 -20.2566 -20.2566 -20.2368 -20.2368 -9.4365 -9.4365 -6.4199 -6.4199 -2.7633 -2.7633 0.1885 0.1885 0.3292 0.3292 3.0429 3.0429 3.5799 3.5799 3.9120 3.9120 5.7812 5.7812 8.1566 8.1566 8.4333 8.4333 8.4481 8.4481 k = 0.4815 0.6808 0.0000 ( 6314 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5252 -20.5252 -20.4390 -20.4390 -20.3146 -20.3146 -20.2638 -20.2638 -20.2561 -20.2561 -20.2367 -20.2367 -9.4380 -9.4380 -6.4082 -6.4082 -2.7872 -2.7872 0.1822 0.1822 0.3231 0.3231 3.0716 3.0716 3.5946 3.5946 3.9278 3.9278 5.7736 5.7736 8.1337 8.1337 8.4106 8.4106 8.4251 8.4251 k = 0.4907 0.6939 0.0000 ( 6314 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5256 -20.5256 -20.4389 -20.4389 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4390 -9.4390 -6.4010 -6.4010 -2.8016 -2.8016 0.1783 0.1783 0.3194 0.3194 3.0891 3.0891 3.6034 3.6034 3.9374 3.9374 5.7690 5.7690 8.1198 8.1198 8.3970 8.3970 8.4111 8.4111 k = 0.5000 0.7070 0.0000 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.5000 0.7070 0.0000 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.4999 0.7070 0.0001 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.4999 0.7070 0.0001 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.4867 0.7024 0.0082 ( 6322 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5256 -20.5256 -20.4389 -20.4389 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4392 -9.4392 -6.3999 -6.3999 -2.8038 -2.8038 0.1779 0.1779 0.3190 0.3190 3.0916 3.0916 3.6046 3.6046 3.9386 3.9386 5.7704 5.7704 8.1135 8.1135 8.3951 8.3951 8.4096 8.4096 k = 0.4736 0.6977 0.0162 ( 6320 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5255 -20.5255 -20.4390 -20.4390 -20.3146 -20.3146 -20.2639 -20.2639 -20.2560 -20.2560 -20.2367 -20.2367 -9.4389 -9.4389 -6.4035 -6.4035 -2.7960 -2.7960 0.1805 0.1805 0.3215 0.3215 3.0816 3.0816 3.5994 3.5994 3.9322 3.9322 5.7789 5.7789 8.1094 8.1094 8.4012 8.4012 8.4208 8.4208 k = 0.4604 0.6931 0.0243 ( 6318 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5252 -20.5252 -20.4391 -20.4391 -20.3146 -20.3146 -20.2638 -20.2638 -20.2562 -20.2562 -20.2367 -20.2367 -9.4383 -9.4383 -6.4096 -6.4096 -2.7830 -2.7830 0.1848 0.1848 0.3257 0.3257 3.0651 3.0651 3.5906 3.5906 3.9217 3.9217 5.7930 5.7930 8.1036 8.1036 8.4085 8.4085 8.4409 8.4409 k = 0.4473 0.6884 0.0324 ( 6322 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5248 -20.5248 -20.4392 -20.4392 -20.3145 -20.3145 -20.2638 -20.2638 -20.2565 -20.2565 -20.2368 -20.2368 -9.4376 -9.4376 -6.4180 -6.4180 -2.7649 -2.7649 0.1907 0.1907 0.3316 0.3316 3.0422 3.0422 3.5783 3.5783 3.9071 3.9071 5.8125 5.8125 8.0973 8.0973 8.4174 8.4174 8.4682 8.4682 k = 0.4341 0.6838 0.0404 ( 6328 PWs) bands (ev): -48.4245 -48.4245 -48.4109 -48.4109 -20.5243 -20.5243 -20.4393 -20.4393 -20.3145 -20.3145 -20.2636 -20.2636 -20.2569 -20.2569 -20.2369 -20.2369 -9.4367 -9.4367 -6.4286 -6.4286 -2.7419 -2.7419 0.1983 0.1983 0.3392 0.3392 3.0134 3.0134 3.5623 3.5623 3.8884 3.8884 5.8374 5.8374 8.0915 8.0915 8.4283 8.4283 8.5007 8.5007 k = 0.4210 0.6791 0.0485 ( 6332 PWs) bands (ev): -48.4245 -48.4245 -48.4110 -48.4110 -20.5237 -20.5237 -20.4394 -20.4394 -20.3145 -20.3145 -20.2635 -20.2635 -20.2575 -20.2575 -20.2371 -20.2371 -9.4356 -9.4356 -6.4412 -6.4412 -2.7141 -2.7141 0.2076 0.2076 0.3485 0.3485 2.9789 2.9789 3.5426 3.5426 3.8656 3.8656 5.8675 5.8675 8.0868 8.0868 8.4414 8.4414 8.5369 8.5369 k = 0.4078 0.6745 0.0565 ( 6336 PWs) bands (ev): -48.4244 -48.4244 -48.4111 -48.4111 -20.5230 -20.5230 -20.4396 -20.4396 -20.3144 -20.3144 -20.2634 -20.2634 -20.2581 -20.2581 -20.2372 -20.2372 -9.4343 -9.4343 -6.4559 -6.4559 -2.6817 -2.6817 0.2186 0.2186 0.3597 0.3597 2.9391 2.9391 3.5192 3.5192 3.8388 3.8388 5.9027 5.9027 8.0836 8.0836 8.4566 8.4566 8.5753 8.5753 k = 0.3946 0.6698 0.0646 ( 6336 PWs) bands (ev): -48.4243 -48.4243 -48.4112 -48.4112 -20.5222 -20.5222 -20.4399 -20.4399 -20.3143 -20.3143 -20.2632 -20.2632 -20.2588 -20.2588 -20.2374 -20.2374 -9.4328 -9.4328 -6.4722 -6.4722 -2.6449 -2.6449 0.2311 0.2311 0.3727 0.3727 2.8944 2.8944 3.4921 3.4921 3.8081 3.8081 5.9427 5.9427 8.0824 8.0824 8.4740 8.4740 8.6139 8.6139 k = 0.3815 0.6652 0.0726 ( 6339 PWs) bands (ev): -48.4242 -48.4242 -48.4113 -48.4113 -20.5213 -20.5213 -20.4401 -20.4401 -20.3142 -20.3142 -20.2630 -20.2630 -20.2596 -20.2596 -20.2376 -20.2376 -9.4311 -9.4311 -6.4902 -6.4902 -2.6038 -2.6038 0.2453 0.2453 0.3876 0.3876 2.8451 2.8451 3.4612 3.4612 3.7736 3.7736 5.9874 5.9874 8.0831 8.0831 8.4935 8.4935 8.6503 8.6503 k = 0.3683 0.6605 0.0807 ( 6342 PWs) bands (ev): -48.4241 -48.4241 -48.4114 -48.4114 -20.5202 -20.5202 -20.4404 -20.4404 -20.3141 -20.3141 -20.2628 -20.2628 -20.2604 -20.2604 -20.2378 -20.2378 -9.4293 -9.4293 -6.5096 -6.5096 -2.5587 -2.5587 0.2611 0.2611 0.4044 0.4044 2.7917 2.7917 3.4266 3.4266 3.7354 3.7354 6.0365 6.0365 8.0858 8.0858 8.5150 8.5150 8.6811 8.6811 k = 0.3552 0.6559 0.0887 ( 6346 PWs) bands (ev): -48.4240 -48.4240 -48.4115 -48.4115 -20.5191 -20.5191 -20.4408 -20.4408 -20.3140 -20.3140 -20.2625 -20.2625 -20.2614 -20.2614 -20.2381 -20.2381 -9.4273 -9.4273 -6.5302 -6.5302 -2.5099 -2.5099 0.2784 0.2784 0.4232 0.4232 2.7345 2.7345 3.3883 3.3883 3.6937 3.6937 6.0897 6.0897 8.0906 8.0906 8.5383 8.5383 8.7024 8.7024 k = 0.3420 0.6512 0.0968 ( 6338 PWs) bands (ev): -48.4238 -48.4238 -48.4117 -48.4117 -20.5179 -20.5179 -20.4411 -20.4411 -20.3138 -20.3138 -20.2624 -20.2624 -20.2622 -20.2622 -20.2383 -20.2383 -9.4252 -9.4252 -6.5518 -6.5518 -2.4576 -2.4576 0.2974 0.2974 0.4439 0.4439 2.6740 2.6740 3.3464 3.3464 3.6484 3.6484 6.1469 6.1469 8.0974 8.0974 8.5633 8.5633 8.7120 8.7120 k = 0.3289 0.6466 0.1048 ( 6336 PWs) bands (ev): -48.4237 -48.4237 -48.4118 -48.4118 -20.5165 -20.5165 -20.4415 -20.4415 -20.3136 -20.3136 -20.2634 -20.2634 -20.2620 -20.2620 -20.2386 -20.2386 -9.4229 -9.4229 -6.5742 -6.5742 -2.4020 -2.4020 0.3179 0.3179 0.4666 0.4666 2.6105 2.6105 3.3010 3.3010 3.5999 3.5999 6.2077 6.2077 8.1061 8.1061 8.5892 8.5892 8.7115 8.7115 k = 0.3157 0.6419 0.1129 ( 6328 PWs) bands (ev): -48.4235 -48.4235 -48.4119 -48.4119 -20.5151 -20.5151 -20.4419 -20.4419 -20.3134 -20.3134 -20.2645 -20.2645 -20.2616 -20.2616 -20.2389 -20.2389 -9.4205 -9.4205 -6.5973 -6.5973 -2.3434 -2.3434 0.3401 0.3401 0.4913 0.4913 2.5444 2.5444 3.2523 3.2523 3.5482 3.5482 6.2718 6.2718 8.1167 8.1167 8.6148 8.6148 8.7066 8.7066 k = 0.3026 0.6373 0.1210 ( 6322 PWs) bands (ev): -48.4234 -48.4234 -48.4121 -48.4121 -20.5136 -20.5136 -20.4424 -20.4424 -20.3132 -20.3132 -20.2657 -20.2657 -20.2613 -20.2613 -20.2392 -20.2392 -9.4181 -9.4181 -6.6208 -6.6208 -2.2821 -2.2821 0.3639 0.3639 0.5180 0.5180 2.4759 2.4759 3.2003 3.2003 3.4936 3.4936 6.3390 6.3390 8.1292 8.1292 8.6363 8.6363 8.7054 8.7054 k = 0.2894 0.6326 0.1290 ( 6324 PWs) bands (ev): -48.4232 -48.4232 -48.4123 -48.4123 -20.5120 -20.5120 -20.4430 -20.4430 -20.3129 -20.3129 -20.2670 -20.2670 -20.2610 -20.2610 -20.2395 -20.2395 -9.4155 -9.4155 -6.6446 -6.6446 -2.2184 -2.2184 0.3894 0.3894 0.5466 0.5466 2.4055 2.4055 3.1453 3.1453 3.4363 3.4363 6.4087 6.4087 8.1437 8.1437 8.6471 8.6471 8.7177 8.7177 k = 0.2763 0.6280 0.1371 ( 6328 PWs) bands (ev): -48.4230 -48.4230 -48.4125 -48.4125 -20.5104 -20.5104 -20.4436 -20.4436 -20.3127 -20.3127 -20.2684 -20.2684 -20.2606 -20.2606 -20.2398 -20.2398 -9.4129 -9.4129 -6.6685 -6.6685 -2.1525 -2.1525 0.4166 0.4166 0.5771 0.5771 2.3336 2.3336 3.0872 3.0872 3.3766 3.3766 6.4807 6.4807 8.1603 8.1603 8.6486 8.6486 8.7437 8.7437 k = 0.2631 0.6233 0.1451 ( 6324 PWs) bands (ev): -48.4228 -48.4228 -48.4126 -48.4126 -20.5087 -20.5087 -20.4442 -20.4442 -20.3124 -20.3124 -20.2697 -20.2697 -20.2602 -20.2602 -20.2402 -20.2402 -9.4103 -9.4103 -6.6924 -6.6924 -2.0848 -2.0848 0.4456 0.4456 0.6095 0.6095 2.2603 2.2603 3.0264 3.0264 3.3147 3.3147 6.5545 6.5545 8.1791 8.1791 8.6486 8.6486 8.7768 8.7768 k = 0.2499 0.6187 0.1532 ( 6316 PWs) bands (ev): -48.4226 -48.4226 -48.4128 -48.4128 -20.5069 -20.5069 -20.4448 -20.4448 -20.3120 -20.3120 -20.2711 -20.2711 -20.2598 -20.2598 -20.2406 -20.2406 -9.4076 -9.4076 -6.7160 -6.7160 -2.0154 -2.0154 0.4763 0.4763 0.6438 0.6438 2.1861 2.1861 2.9630 2.9630 3.2508 3.2508 6.6296 6.6296 8.2005 8.2005 8.6508 8.6508 8.8135 8.8135 k = 0.2368 0.6140 0.1612 ( 6320 PWs) bands (ev): -48.4224 -48.4224 -48.4130 -48.4130 -20.5051 -20.5051 -20.4456 -20.4456 -20.3117 -20.3117 -20.2725 -20.2725 -20.2594 -20.2594 -20.2410 -20.2410 -9.4049 -9.4049 -6.7392 -6.7392 -1.9447 -1.9447 0.5089 0.5089 0.6797 0.6797 2.1112 2.1112 2.8971 2.8971 3.1854 3.1854 6.7053 6.7053 8.2249 8.2249 8.6564 8.6564 8.8527 8.8527 k = 0.2236 0.6094 0.1693 ( 6324 PWs) bands (ev): -48.4222 -48.4222 -48.4133 -48.4133 -20.5032 -20.5032 -20.4464 -20.4464 -20.3113 -20.3113 -20.2740 -20.2740 -20.2590 -20.2590 -20.2414 -20.2414 -9.4022 -9.4022 -6.7620 -6.7620 -1.8731 -1.8731 0.5433 0.5433 0.7173 0.7173 2.0360 2.0360 2.8290 2.8290 3.1187 3.1187 6.7811 6.7811 8.2528 8.2528 8.6658 8.6658 8.8937 8.8937 k = 0.2105 0.6047 0.1773 ( 6328 PWs) bands (ev): -48.4220 -48.4220 -48.4135 -48.4135 -20.5013 -20.5013 -20.4472 -20.4472 -20.3109 -20.3109 -20.2755 -20.2755 -20.2586 -20.2586 -20.2418 -20.2418 -9.3995 -9.3995 -6.7841 -6.7841 -1.8008 -1.8008 0.5795 0.5795 0.7565 0.7565 1.9609 1.9609 2.7589 2.7589 3.0509 3.0509 6.8564 6.8564 8.2846 8.2846 8.6789 8.6789 8.9363 8.9363 k = 0.1973 0.6001 0.1854 ( 6314 PWs) bands (ev): -48.4218 -48.4218 -48.4137 -48.4137 -20.4993 -20.4993 -20.4481 -20.4481 -20.3104 -20.3104 -20.2770 -20.2770 -20.2581 -20.2581 -20.2422 -20.2422 -9.3969 -9.3969 -6.8054 -6.8054 -1.7283 -1.7283 0.6176 0.6176 0.7970 0.7970 1.8861 1.8861 2.6869 2.6869 2.9826 2.9826 6.9302 6.9302 8.3209 8.3209 8.6954 8.6954 8.9803 8.9803 k = 0.1842 0.5954 0.1934 ( 6304 PWs) bands (ev): -48.4215 -48.4215 -48.4139 -48.4139 -20.4973 -20.4973 -20.4490 -20.4490 -20.3099 -20.3099 -20.2785 -20.2785 -20.2576 -20.2576 -20.2426 -20.2426 -9.3943 -9.3943 -6.8259 -6.8259 -1.6559 -1.6559 0.6576 0.6576 0.8389 0.8389 1.8122 1.8122 2.6134 2.6134 2.9139 2.9139 7.0020 7.0020 8.3620 8.3620 8.7150 8.7150 9.0256 9.0256 k = 0.1710 0.5908 0.2015 ( 6300 PWs) bands (ev): -48.4213 -48.4213 -48.4142 -48.4142 -20.4953 -20.4953 -20.4500 -20.4500 -20.3094 -20.3094 -20.2800 -20.2800 -20.2571 -20.2571 -20.2431 -20.2431 -9.3918 -9.3918 -6.8454 -6.8454 -1.5840 -1.5840 0.6994 0.6994 0.8819 0.8819 1.7396 1.7396 2.5385 2.5385 2.8453 2.8453 7.0709 7.0709 8.4084 8.4084 8.7374 8.7374 9.0719 9.0719 k = 0.1579 0.5861 0.2096 ( 6302 PWs) bands (ev): -48.4210 -48.4210 -48.4144 -48.4144 -20.4932 -20.4932 -20.4511 -20.4511 -20.3088 -20.3088 -20.2815 -20.2815 -20.2566 -20.2566 -20.2436 -20.2436 -9.3894 -9.3894 -6.8638 -6.8638 -1.5131 -1.5131 0.7429 0.7429 0.9257 0.9257 1.6686 1.6686 2.4627 2.4627 2.7771 2.7771 7.1361 7.1361 8.4599 8.4599 8.7623 8.7623 9.1192 9.1192 k = 0.1447 0.5815 0.2176 ( 6298 PWs) bands (ev): -48.4208 -48.4208 -48.4147 -48.4147 -20.4912 -20.4912 -20.4522 -20.4522 -20.3082 -20.3082 -20.2831 -20.2831 -20.2561 -20.2561 -20.2441 -20.2441 -9.3871 -9.3871 -6.8811 -6.8811 -1.4436 -1.4436 0.7879 0.7879 0.9702 0.9702 1.6001 1.6001 2.3860 2.3860 2.7097 2.7097 7.1971 7.1971 8.5163 8.5163 8.7898 8.7898 9.1672 9.1672 k = 0.1315 0.5768 0.2257 ( 6304 PWs) bands (ev): -48.4205 -48.4205 -48.4149 -48.4149 -20.4891 -20.4891 -20.4535 -20.4535 -20.3075 -20.3075 -20.2846 -20.2846 -20.2556 -20.2556 -20.2446 -20.2446 -9.3849 -9.3849 -6.8972 -6.8972 -1.3763 -1.3763 0.8344 0.8344 1.0149 1.0149 1.5346 1.5346 2.3090 2.3090 2.6435 2.6435 7.2534 7.2534 8.5763 8.5763 8.8203 8.8203 9.2159 9.2159 k = 0.1184 0.5721 0.2337 ( 6308 PWs) bands (ev): -48.4203 -48.4203 -48.4152 -48.4152 -20.4870 -20.4870 -20.4547 -20.4547 -20.3068 -20.3068 -20.2861 -20.2861 -20.2551 -20.2551 -20.2451 -20.2451 -9.3829 -9.3829 -6.9119 -6.9119 -1.3116 -1.3116 0.8817 0.8817 1.0596 1.0596 1.4731 1.4731 2.2320 2.2320 2.5789 2.5789 7.3044 7.3044 8.6378 8.6378 8.8551 8.8551 9.2651 9.2651 k = 0.1052 0.5675 0.2418 ( 6304 PWs) bands (ev): -48.4200 -48.4200 -48.4155 -48.4155 -20.4849 -20.4849 -20.4561 -20.4561 -20.3061 -20.3061 -20.2876 -20.2876 -20.2545 -20.2545 -20.2456 -20.2456 -9.3811 -9.3811 -6.9252 -6.9252 -1.2503 -1.2503 0.9293 0.9293 1.1035 1.1035 1.4170 1.4170 2.1552 2.1552 2.5167 2.5167 7.3500 7.3500 8.6973 8.6973 8.8964 8.8964 9.3145 9.3145 k = 0.0921 0.5628 0.2498 ( 6306 PWs) bands (ev): -48.4197 -48.4197 -48.4157 -48.4157 -20.4828 -20.4828 -20.4575 -20.4575 -20.3053 -20.3053 -20.2891 -20.2891 -20.2540 -20.2540 -20.2461 -20.2461 -9.3794 -9.3794 -6.9372 -6.9372 -1.1931 -1.1931 0.9757 0.9757 1.1459 1.1459 1.3683 1.3683 2.0794 2.0794 2.4573 2.4573 7.3901 7.3901 8.7500 8.7500 8.9472 8.9472 9.3638 9.3638 k = 0.0789 0.5582 0.2579 ( 6292 PWs) bands (ev): -48.4194 -48.4194 -48.4160 -48.4160 -20.4808 -20.4808 -20.4589 -20.4589 -20.3044 -20.3044 -20.2905 -20.2905 -20.2534 -20.2534 -20.2467 -20.2467 -9.3780 -9.3780 -6.9476 -6.9476 -1.1409 -1.1409 1.0184 1.0184 1.1856 1.1856 1.3304 1.3304 2.0049 2.0049 2.4018 2.4018 7.4246 7.4246 8.7927 8.7927 9.0084 9.0084 9.4128 9.4128 k = 0.0658 0.5535 0.2659 ( 6288 PWs) bands (ev): -48.4191 -48.4191 -48.4163 -48.4163 -20.4787 -20.4787 -20.4604 -20.4604 -20.3035 -20.3035 -20.2919 -20.2919 -20.2528 -20.2528 -20.2472 -20.2472 -9.3767 -9.3767 -6.9565 -6.9565 -1.0946 -1.0946 1.0526 1.0526 1.2213 1.2213 1.3086 1.3086 1.9327 1.9327 2.3509 2.3509 7.4535 7.4535 8.8253 8.8253 9.0772 9.0772 9.4608 9.4608 k = 0.0526 0.5489 0.2740 ( 6297 PWs) bands (ev): -48.4189 -48.4189 -48.4166 -48.4166 -20.4767 -20.4767 -20.4620 -20.4620 -20.3026 -20.3026 -20.2933 -20.2933 -20.2523 -20.2523 -20.2478 -20.2478 -9.3757 -9.3757 -6.9638 -6.9638 -1.0550 -1.0550 1.0724 1.0724 1.2529 1.2529 1.3078 1.3078 1.8638 1.8638 2.3061 2.3061 7.4770 7.4770 8.8497 8.8497 9.1479 9.1479 9.5071 9.5071 k = 0.0395 0.5442 0.2820 ( 6298 PWs) bands (ev): -48.4186 -48.4186 -48.4169 -48.4169 -20.4747 -20.4747 -20.4637 -20.4637 -20.3016 -20.3016 -20.2946 -20.2946 -20.2517 -20.2517 -20.2484 -20.2484 -9.3748 -9.3748 -6.9696 -6.9696 -1.0231 -1.0231 1.0766 1.0766 1.2843 1.2843 1.3226 1.3226 1.8003 1.8003 2.2688 2.2688 7.4952 7.4952 8.8675 8.8675 9.2139 9.2139 9.5500 9.5500 k = 0.0263 0.5396 0.2901 ( 6302 PWs) bands (ev): -48.4183 -48.4183 -48.4172 -48.4172 -20.4728 -20.4728 -20.4654 -20.4654 -20.3006 -20.3006 -20.2959 -20.2959 -20.2512 -20.2512 -20.2489 -20.2489 -9.3742 -9.3742 -6.9737 -6.9737 -0.9997 -0.9997 1.0723 1.0723 1.3153 1.3153 1.3420 1.3420 1.7457 1.7457 2.2404 2.2404 7.5081 7.5081 8.8797 8.8797 9.2683 9.2683 9.5869 9.5869 k = 0.0132 0.5349 0.2982 ( 6300 PWs) bands (ev): -48.4180 -48.4180 -48.4174 -48.4174 -20.4709 -20.4709 -20.4672 -20.4672 -20.2995 -20.2995 -20.2971 -20.2971 -20.2506 -20.2506 -20.2495 -20.2495 -9.3739 -9.3739 -6.9762 -6.9762 -0.9853 -0.9853 1.0670 1.0670 1.3368 1.3368 1.3606 1.3606 1.7064 1.7064 2.2227 2.2227 7.5158 7.5158 8.8869 8.8869 9.3044 9.3044 9.6129 9.6129 k = 0.0000 0.5303 0.3062 ( 6300 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2983 -20.2983 -20.2983 -20.2983 -20.2501 -20.2501 -20.2501 -20.2501 -9.3738 -9.3738 -6.9770 -6.9770 -0.9805 -0.9805 1.0648 1.0648 1.3435 1.3435 1.3694 1.3694 1.6915 1.6915 2.2166 2.2166 7.5183 7.5183 8.8893 8.8893 9.3171 9.3171 9.6225 9.6225 k = 0.0000 0.5303 0.3062 ( 6300 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2983 -20.2983 -20.2983 -20.2983 -20.2501 -20.2501 -20.2501 -20.2501 -9.3738 -9.3738 -6.9770 -6.9770 -0.9805 -0.9805 1.0648 1.0648 1.3435 1.3435 1.3694 1.3694 1.6915 1.6915 2.2166 2.2166 7.5183 7.5183 8.8893 8.8893 9.3171 9.3171 9.6225 9.6225 k = 0.0093 0.5237 0.3175 ( 6302 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2983 -20.2983 -20.2983 -20.2983 -20.2501 -20.2501 -20.2501 -20.2501 -9.3737 -9.3737 -6.9769 -6.9769 -0.9803 -0.9803 1.0640 1.0640 1.3368 1.3368 1.3667 1.3667 1.6991 1.6991 2.2193 2.2193 7.5221 7.5221 8.8894 8.8894 9.3176 9.3176 9.6213 9.6213 k = 0.0185 0.5172 0.3289 ( 6294 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2983 -20.2983 -20.2983 -20.2983 -20.2500 -20.2500 -20.2500 -20.2500 -9.3737 -9.3737 -6.9766 -6.9766 -0.9799 -0.9799 1.0613 1.0613 1.3179 1.3179 1.3595 1.3595 1.7203 1.7203 2.2272 2.2272 7.5333 7.5333 8.8898 8.8898 9.3191 9.3191 9.6177 9.6177 k = 0.0278 0.5106 0.3402 ( 6302 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2983 -20.2983 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3736 -9.3736 -6.9762 -6.9762 -0.9792 -0.9792 1.0567 1.0567 1.2896 1.2896 1.3489 1.3489 1.7512 1.7512 2.2400 2.2400 7.5519 7.5519 8.8902 8.8902 9.3214 9.3214 9.6119 9.6119 k = 0.0370 0.5041 0.3516 ( 6306 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4690 -20.4690 -20.4690 -20.4690 -20.2984 -20.2984 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3735 -9.3735 -6.9756 -6.9756 -0.9781 -0.9781 1.0498 1.0498 1.2558 1.2558 1.3356 1.3356 1.7884 1.7884 2.2570 2.2570 7.5779 7.5779 8.8907 8.8907 9.3244 9.3244 9.6039 9.6039 k = 0.0463 0.4975 0.3629 ( 6314 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2984 -20.2984 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3733 -9.3733 -6.9749 -6.9749 -0.9769 -0.9769 1.0404 1.0404 1.2190 1.2190 1.3206 1.3206 1.8294 1.8294 2.2776 2.2776 7.6112 7.6112 8.8910 8.8910 9.3277 9.3277 9.5941 9.5941 k = 0.0556 0.4910 0.3743 ( 6312 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2984 -20.2984 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3731 -9.3731 -6.9740 -6.9740 -0.9753 -0.9753 1.0281 1.0281 1.1811 1.1811 1.3048 1.3048 1.8725 1.8725 2.3011 2.3011 7.6517 7.6517 8.8908 8.8908 9.3310 9.3310 9.5826 9.5826 k = 0.0648 0.4844 0.3856 ( 6318 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2985 -20.2985 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3729 -9.3729 -6.9730 -6.9730 -0.9735 -0.9735 1.0125 1.0125 1.1431 1.1431 1.2891 1.2891 1.9167 1.9167 2.3267 2.3267 7.6993 7.6993 8.8899 8.8899 9.3337 9.3337 9.5696 9.5696 k = 0.0741 0.4779 0.3969 ( 6318 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2985 -20.2985 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3726 -9.3726 -6.9718 -6.9718 -0.9715 -0.9715 0.9933 0.9933 1.1060 1.1060 1.2744 1.2744 1.9611 1.9611 2.3539 2.3539 7.7540 7.7540 8.8877 8.8877 9.3351 9.3351 9.5549 9.5549 k = 0.0833 0.4714 0.4083 ( 6300 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2985 -20.2985 -20.2983 -20.2983 -20.2501 -20.2501 -20.2500 -20.2500 -9.3724 -9.3724 -6.9706 -6.9706 -0.9692 -0.9692 0.9706 0.9706 1.0704 1.0704 1.2611 1.2611 2.0052 2.0052 2.3822 2.3822 7.8154 7.8154 8.8840 8.8840 9.3343 9.3343 9.5383 9.5383 k = 0.0926 0.4648 0.4196 ( 6324 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4691 -20.4691 -20.4690 -20.4690 -20.2985 -20.2985 -20.2984 -20.2984 -20.2502 -20.2502 -20.2500 -20.2500 -9.3721 -9.3721 -6.9692 -6.9692 -0.9668 -0.9668 0.9447 0.9447 1.0364 1.0364 1.2496 1.2496 2.0487 2.0487 2.4109 2.4109 7.8835 7.8835 8.8782 8.8782 9.3308 9.3308 9.5193 9.5193 k = 0.1019 0.4583 0.4310 ( 6330 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4691 -20.4691 -20.4690 -20.4690 -20.2986 -20.2986 -20.2984 -20.2984 -20.2502 -20.2502 -20.2500 -20.2500 -9.3718 -9.3718 -6.9678 -6.9678 -0.9643 -0.9643 0.9165 0.9165 1.0039 1.0039 1.2400 1.2400 2.0910 2.0910 2.4398 2.4398 7.9581 7.9581 8.8699 8.8699 9.3240 9.3240 9.4983 9.4983 k = 0.1111 0.4517 0.4423 ( 6336 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2986 -20.2986 -20.2984 -20.2984 -20.2502 -20.2502 -20.2501 -20.2501 -9.3714 -9.3714 -6.9664 -6.9664 -0.9616 -0.9616 0.8867 0.8867 0.9729 0.9729 1.2320 1.2320 2.1318 2.1318 2.4685 2.4685 8.0389 8.0389 8.8587 8.8587 9.3144 9.3144 9.4764 9.4764 k = 0.1204 0.4452 0.4536 ( 6332 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2986 -20.2986 -20.2984 -20.2984 -20.2502 -20.2502 -20.2500 -20.2500 -9.3711 -9.3711 -6.9649 -6.9649 -0.9588 -0.9588 0.8565 0.8565 0.9432 0.9432 1.2255 1.2255 2.1710 2.1710 2.4968 2.4968 8.1256 8.1256 8.8443 8.8443 9.3029 9.3029 9.4551 9.4551 k = 0.1296 0.4386 0.4650 ( 6336 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2984 -20.2984 -20.2502 -20.2502 -20.2500 -20.2500 -9.3708 -9.3708 -6.9634 -6.9634 -0.9560 -0.9560 0.8266 0.8266 0.9146 0.9146 1.2203 1.2203 2.2082 2.2082 2.5243 2.5243 8.2179 8.2179 8.8269 8.8269 9.2908 9.2908 9.4352 9.4352 k = 0.1389 0.4321 0.4763 ( 6340 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3705 -9.3705 -6.9619 -6.9619 -0.9532 -0.9532 0.7975 0.7975 0.8873 0.8873 1.2161 1.2161 2.2432 2.2432 2.5508 2.5508 8.3153 8.3153 8.8069 8.8069 9.2794 9.2794 9.4170 9.4170 k = 0.1481 0.4255 0.4877 ( 6330 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2984 -20.2984 -20.2502 -20.2502 -20.2500 -20.2500 -9.3702 -9.3702 -6.9604 -6.9604 -0.9504 -0.9504 0.7697 0.7697 0.8614 0.8614 1.2128 1.2128 2.2759 2.2759 2.5761 2.5761 8.4171 8.4171 8.7851 8.7851 9.2695 9.2695 9.4006 9.4006 k = 0.1574 0.4190 0.4990 ( 6328 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3698 -9.3698 -6.9590 -6.9590 -0.9476 -0.9476 0.7436 0.7436 0.8371 0.8371 1.2102 1.2102 2.3060 2.3060 2.6001 2.6001 8.5219 8.5219 8.7633 8.7633 9.2616 9.2616 9.3860 9.3860 k = 0.1667 0.4124 0.5103 ( 6330 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3696 -9.3696 -6.9577 -6.9577 -0.9449 -0.9449 0.7194 0.7194 0.8144 0.8144 1.2081 1.2081 2.3335 2.3335 2.6225 2.6225 8.6242 8.6242 8.7472 8.7472 9.2557 9.2557 9.3732 9.3732 k = 0.1759 0.4059 0.5217 ( 6328 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3693 -9.3693 -6.9564 -6.9564 -0.9424 -0.9424 0.6973 0.6973 0.7937 0.7937 1.2064 1.2064 2.3582 2.3582 2.6432 2.6432 8.6813 8.6813 8.7797 8.7797 9.2517 9.2517 9.3622 9.3622 k = 0.1852 0.3993 0.5330 ( 6326 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4692 -20.4692 -20.4691 -20.4691 -20.2987 -20.2987 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3690 -9.3690 -6.9552 -6.9552 -0.9401 -0.9401 0.6775 0.6775 0.7751 0.7751 1.2051 1.2051 2.3800 2.3800 2.6620 2.6620 8.6726 8.6726 8.8810 8.8810 9.2497 9.2497 9.3531 9.3531 k = 0.1944 0.3928 0.5444 ( 6324 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4692 -20.4692 -20.4691 -20.4691 -20.2988 -20.2988 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3688 -9.3688 -6.9542 -6.9542 -0.9380 -0.9380 0.6601 0.6601 0.7586 0.7586 1.2041 1.2041 2.3990 2.3990 2.6788 2.6788 8.6541 8.6541 8.9938 8.9938 9.2503 9.2503 9.3457 9.3457 k = 0.2037 0.3862 0.5557 ( 6328 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2988 -20.2988 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3686 -9.3686 -6.9533 -6.9533 -0.9362 -0.9362 0.6452 0.6452 0.7445 0.7445 1.2033 1.2033 2.4151 2.4151 2.6932 2.6932 8.6360 8.6360 9.1031 9.1031 9.2573 9.2573 9.3400 9.3400 k = 0.2130 0.3797 0.5671 ( 6328 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4692 -20.4692 -20.4691 -20.4691 -20.2988 -20.2988 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3685 -9.3685 -6.9525 -6.9525 -0.9346 -0.9346 0.6329 0.6329 0.7327 0.7327 1.2027 1.2027 2.4283 2.4283 2.7053 2.7053 8.6201 8.6201 9.1852 9.1852 9.2909 9.2909 9.3361 9.3361 k = 0.2222 0.3731 0.5784 ( 6322 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4692 -20.4692 -20.4691 -20.4691 -20.2988 -20.2988 -20.2985 -20.2985 -20.2502 -20.2502 -20.2499 -20.2499 -9.3683 -9.3683 -6.9519 -6.9519 -0.9334 -0.9334 0.6232 0.6232 0.7235 0.7235 1.2023 1.2023 2.4385 2.4385 2.7148 2.7148 8.6072 8.6072 9.2130 9.2130 9.3325 9.3325 9.3761 9.3761 k = 0.2315 0.3666 0.5897 ( 6326 PWs) bands (ev): -48.4177 -48.4177 -48.4177 -48.4177 -20.4692 -20.4692 -20.4691 -20.4691 -20.2988 -20.2988 -20.2985 -20.2985 -20.2502 -20.2502 -20.2500 -20.2500 -9.3682 -9.3682 -6.9515 -6.9515 -0.9325 -0.9325 0.6163 0.6163 0.7169 0.7169 1.2020 1.2020 2.4458 2.4458 2.7217 2.7217 8.5977 8.5977 9.2195 9.2195 9.3310 9.3310 9.4731 9.4731 k = 0.2407 0.3600 0.6011 ( 6344 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4693 -20.4693 -20.4691 -20.4691 -20.2988 -20.2988 -20.2986 -20.2986 -20.2502 -20.2502 -20.2500 -20.2500 -9.3682 -9.3682 -6.9513 -6.9513 -0.9319 -0.9319 0.6121 0.6121 0.7129 0.7129 1.2018 1.2018 2.4501 2.4501 2.7259 2.7259 8.5919 8.5919 9.2214 9.2214 9.3301 9.3301 9.5588 9.5588 k = 0.2500 0.3535 0.6124 ( 6356 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4693 -20.4693 -20.4691 -20.4691 -20.2989 -20.2989 -20.2986 -20.2986 -20.2503 -20.2503 -20.2500 -20.2500 -9.3682 -9.3682 -6.9512 -6.9512 -0.9317 -0.9317 0.6107 0.6107 0.7116 0.7116 1.2017 1.2017 2.4516 2.4516 2.7273 2.7273 8.5900 8.5900 9.2218 9.2218 9.3298 9.3298 9.6138 9.6138 k = 0.2500 0.3535 0.6124 ( 6356 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4693 -20.4693 -20.4691 -20.4691 -20.2989 -20.2989 -20.2986 -20.2986 -20.2503 -20.2503 -20.2500 -20.2500 -9.3682 -9.3682 -6.9512 -6.9512 -0.9317 -0.9317 0.6107 0.6107 0.7116 0.7116 1.2017 1.2017 2.4516 2.4516 2.7273 2.7273 8.5900 8.5900 9.2218 9.2218 9.3298 9.3298 9.6138 9.6138 k = 0.2553 0.3610 0.5994 ( 6346 PWs) bands (ev): -48.4180 -48.4180 -48.4175 -48.4175 -20.4707 -20.4707 -20.4677 -20.4677 -20.2997 -20.2997 -20.2977 -20.2977 -20.2505 -20.2505 -20.2498 -20.2498 -9.3683 -9.3683 -6.9507 -6.9507 -0.9349 -0.9349 0.5995 0.5995 0.7249 0.7249 1.2053 1.2053 2.4478 2.4478 2.7299 2.7299 8.5901 8.5901 9.1884 9.1884 9.3564 9.3564 9.5775 9.5775 k = 0.2606 0.3685 0.5864 ( 6326 PWs) bands (ev): -48.4182 -48.4182 -48.4173 -48.4173 -20.4722 -20.4722 -20.4662 -20.4662 -20.3006 -20.3006 -20.2966 -20.2966 -20.2508 -20.2508 -20.2493 -20.2493 -9.3688 -9.3688 -6.9492 -6.9492 -0.9444 -0.9444 0.5747 0.5747 0.7560 0.7560 1.2161 1.2161 2.4360 2.4360 2.7380 2.7380 8.5909 8.5909 9.1249 9.1249 9.3991 9.3991 9.5298 9.5298 k = 0.2660 0.3760 0.5733 ( 6326 PWs) bands (ev): -48.4185 -48.4185 -48.4170 -48.4170 -20.4738 -20.4738 -20.4648 -20.4648 -20.3015 -20.3015 -20.2956 -20.2956 -20.2512 -20.2512 -20.2490 -20.2490 -9.3697 -9.3697 -6.9467 -6.9467 -0.9601 -0.9601 0.5458 0.5458 0.7950 0.7950 1.2339 1.2339 2.4167 2.4167 2.7514 2.7514 8.5926 8.5926 9.0544 9.0544 9.4307 9.4307 9.4806 9.4806 k = 0.2713 0.3836 0.5603 ( 6337 PWs) bands (ev): -48.4187 -48.4187 -48.4168 -48.4168 -20.4754 -20.4754 -20.4634 -20.4634 -20.3024 -20.3024 -20.2945 -20.2945 -20.2516 -20.2516 -20.2486 -20.2486 -9.3708 -9.3708 -6.9432 -6.9432 -0.9817 -0.9817 0.5161 0.5161 0.8383 0.8383 1.2586 1.2586 2.3908 2.3908 2.7690 2.7690 8.5942 8.5942 8.9839 8.9839 9.4294 9.4294 9.4347 9.4347 k = 0.2766 0.3911 0.5473 ( 6333 PWs) bands (ev): -48.4189 -48.4189 -48.4166 -48.4166 -20.4770 -20.4770 -20.4620 -20.4620 -20.3032 -20.3032 -20.2934 -20.2934 -20.2520 -20.2520 -20.2482 -20.2482 -9.3722 -9.3722 -6.9388 -6.9388 -1.0087 -1.0087 0.4869 0.4869 0.8844 0.8844 1.2899 1.2899 2.3596 2.3596 2.7901 2.7901 8.5932 8.5932 8.9187 8.9187 9.3747 9.3747 9.3999 9.3999 k = 0.2819 0.3986 0.5343 ( 6335 PWs) bands (ev): -48.4192 -48.4192 -48.4164 -48.4164 -20.4786 -20.4786 -20.4607 -20.4607 -20.3040 -20.3040 -20.2923 -20.2923 -20.2524 -20.2524 -20.2478 -20.2478 -9.3738 -9.3738 -6.9334 -6.9334 -1.0408 -1.0408 0.4586 0.4586 0.9323 0.9323 1.3273 1.3273 2.3242 2.3242 2.8136 2.8136 8.5840 8.5840 8.8659 8.8659 9.2998 9.2998 9.3562 9.3562 k = 0.2872 0.4061 0.5212 ( 6329 PWs) bands (ev): -48.4194 -48.4194 -48.4161 -48.4161 -20.4803 -20.4803 -20.4594 -20.4594 -20.3047 -20.3047 -20.2911 -20.2911 -20.2527 -20.2527 -20.2474 -20.2474 -9.3756 -9.3756 -6.9271 -6.9271 -1.0775 -1.0775 0.4316 0.4316 0.9816 0.9816 1.3702 1.3702 2.2858 2.2858 2.8391 2.8391 8.5597 8.5597 8.8336 8.8336 9.2071 9.2071 9.3163 9.3163 k = 0.2926 0.4136 0.5082 ( 6327 PWs) bands (ev): -48.4196 -48.4196 -48.4159 -48.4159 -20.4819 -20.4819 -20.4582 -20.4582 -20.3054 -20.3054 -20.2899 -20.2899 -20.2531 -20.2531 -20.2471 -20.2471 -9.3777 -9.3777 -6.9198 -6.9198 -1.1182 -1.1182 0.4059 0.4059 1.0317 1.0317 1.4178 1.4178 2.2456 2.2456 2.8659 2.8659 8.5172 8.5172 8.8248 8.8248 9.1046 9.1046 9.2803 9.2803 k = 0.2979 0.4212 0.4952 ( 6323 PWs) bands (ev): -48.4198 -48.4198 -48.4157 -48.4157 -20.4836 -20.4836 -20.4570 -20.4570 -20.3061 -20.3061 -20.2887 -20.2887 -20.2535 -20.2535 -20.2467 -20.2467 -9.3798 -9.3798 -6.9117 -6.9117 -1.1624 -1.1624 0.3816 0.3816 1.0819 1.0819 1.4691 1.4691 2.2049 2.2049 2.8938 2.8938 8.4617 8.4617 8.8325 8.8325 8.9986 8.9986 9.2479 9.2479 k = 0.3032 0.4287 0.4822 ( 6317 PWs) bands (ev): -48.4200 -48.4200 -48.4154 -48.4154 -20.4852 -20.4852 -20.4558 -20.4558 -20.3067 -20.3067 -20.2875 -20.2875 -20.2539 -20.2539 -20.2462 -20.2462 -9.3822 -9.3822 -6.9026 -6.9026 -1.2098 -1.2098 0.3588 0.3588 1.1318 1.1318 1.5227 1.5227 2.1655 2.1655 2.9226 2.9226 8.3996 8.3996 8.8283 8.8283 8.9130 8.9130 9.2194 9.2194 k = 0.3085 0.4362 0.4691 ( 6317 PWs) bands (ev): -48.4203 -48.4203 -48.4152 -48.4152 -20.4869 -20.4869 -20.4547 -20.4547 -20.3073 -20.3073 -20.2863 -20.2863 -20.2543 -20.2543 -20.2458 -20.2458 -9.3846 -9.3846 -6.8927 -6.8927 -1.2599 -1.2599 0.3375 0.3375 1.1804 1.1804 1.5769 1.5769 2.1297 2.1297 2.9520 2.9520 8.3355 8.3355 8.7418 8.7418 8.9144 8.9144 9.1958 9.1958 k = 0.3138 0.4437 0.4561 ( 6317 PWs) bands (ev): -48.4205 -48.4205 -48.4150 -48.4150 -20.4886 -20.4886 -20.4537 -20.4537 -20.3079 -20.3079 -20.2851 -20.2851 -20.2547 -20.2547 -20.2454 -20.2454 -9.3871 -9.3871 -6.8819 -6.8819 -1.3123 -1.3123 0.3177 0.3177 1.2265 1.2265 1.6290 1.6290 2.1011 2.1011 2.9819 2.9819 8.2716 8.2716 8.6266 8.6266 8.9452 8.9452 9.1794 9.1794 k = 0.3191 0.4512 0.4431 ( 6311 PWs) bands (ev): -48.4207 -48.4207 -48.4148 -48.4148 -20.4902 -20.4902 -20.4527 -20.4527 -20.3084 -20.3084 -20.2839 -20.2839 -20.2551 -20.2551 -20.2450 -20.2450 -9.3897 -9.3897 -6.8704 -6.8704 -1.3666 -1.3666 0.2994 0.2994 1.2685 1.2685 1.6756 1.6756 2.0847 2.0847 3.0122 3.0122 8.2092 8.2092 8.5068 8.5068 8.9758 8.9758 9.1751 9.1751 k = 0.3245 0.4588 0.4301 ( 6313 PWs) bands (ev): -48.4209 -48.4209 -48.4146 -48.4146 -20.4919 -20.4919 -20.4517 -20.4517 -20.3090 -20.3090 -20.2826 -20.2826 -20.2555 -20.2555 -20.2446 -20.2446 -9.3923 -9.3923 -6.8580 -6.8580 -1.4224 -1.4224 0.2826 0.2826 1.3036 1.3036 1.7136 1.7136 2.0860 2.0860 3.0429 3.0429 8.1491 8.1491 8.3858 8.3858 8.9952 8.9952 9.1902 9.1902 k = 0.3298 0.4663 0.4171 ( 6326 PWs) bands (ev): -48.4211 -48.4211 -48.4144 -48.4144 -20.4936 -20.4936 -20.4508 -20.4508 -20.3095 -20.3095 -20.2814 -20.2814 -20.2559 -20.2559 -20.2443 -20.2443 -9.3950 -9.3950 -6.8449 -6.8449 -1.4795 -1.4795 0.2673 0.2673 1.3284 1.3284 1.7427 1.7427 2.1083 2.1083 3.0738 3.0738 8.0910 8.0910 8.2652 8.2652 8.9992 8.9992 9.2269 9.2269 k = 0.3351 0.4738 0.4040 ( 6326 PWs) bands (ev): -48.4213 -48.4213 -48.4142 -48.4142 -20.4952 -20.4952 -20.4499 -20.4499 -20.3099 -20.3099 -20.2802 -20.2802 -20.2563 -20.2563 -20.2439 -20.2439 -9.3976 -9.3976 -6.8311 -6.8311 -1.5376 -1.5376 0.2535 0.2535 1.3393 1.3393 1.7680 1.7680 2.1502 2.1502 3.1050 3.1050 8.0335 8.0335 8.1476 8.1476 8.9923 8.9923 9.2785 9.2785 k = 0.3404 0.4813 0.3910 ( 6317 PWs) bands (ev): -48.4215 -48.4215 -48.4140 -48.4140 -20.4968 -20.4968 -20.4490 -20.4490 -20.3103 -20.3103 -20.2789 -20.2789 -20.2567 -20.2567 -20.2435 -20.2435 -9.4002 -9.4002 -6.8166 -6.8166 -1.5964 -1.5964 0.2412 0.2412 1.3340 1.3340 1.7963 1.7963 2.2066 2.2066 3.1363 3.1363 7.9680 7.9680 8.0424 8.0424 8.9797 8.9797 9.3326 9.3326 k = 0.3457 0.4888 0.3780 ( 6311 PWs) bands (ev): -48.4217 -48.4217 -48.4138 -48.4138 -20.4984 -20.4984 -20.4482 -20.4482 -20.3107 -20.3107 -20.2777 -20.2777 -20.2570 -20.2570 -20.2431 -20.2431 -9.4028 -9.4028 -6.8014 -6.8014 -1.6557 -1.6557 0.2303 0.2303 1.3135 1.3135 1.8318 1.8318 2.2724 2.2724 3.1678 3.1678 7.8740 7.8740 7.9704 7.9704 8.9647 8.9647 9.3649 9.3649 k = 0.3511 0.4964 0.3650 ( 6329 PWs) bands (ev): -48.4219 -48.4219 -48.4136 -48.4136 -20.5001 -20.5001 -20.4475 -20.4475 -20.3111 -20.3111 -20.2765 -20.2765 -20.2575 -20.2575 -20.2428 -20.2428 -9.4054 -9.4054 -6.7857 -6.7857 -1.7153 -1.7153 0.2207 0.2207 1.2805 1.2805 1.8748 1.8748 2.3441 2.3441 3.1995 3.1995 7.7617 7.7617 7.9220 7.9220 8.9487 8.9487 9.3580 9.3580 k = 0.3564 0.5039 0.3519 ( 6317 PWs) bands (ev): -48.4221 -48.4221 -48.4134 -48.4134 -20.5016 -20.5016 -20.4467 -20.4467 -20.3114 -20.3114 -20.2752 -20.2752 -20.2578 -20.2578 -20.2424 -20.2424 -9.4079 -9.4079 -6.7694 -6.7694 -1.7749 -1.7749 0.2125 0.2125 1.2385 1.2385 1.9240 1.9240 2.4194 2.4194 3.2312 3.2312 7.6461 7.6461 7.8828 7.8828 8.9322 8.9322 9.3308 9.3308 k = 0.3617 0.5114 0.3389 ( 6323 PWs) bands (ev): -48.4222 -48.4222 -48.4132 -48.4132 -20.5032 -20.5032 -20.4461 -20.4461 -20.3118 -20.3118 -20.2740 -20.2740 -20.2582 -20.2582 -20.2420 -20.2420 -9.4103 -9.4103 -6.7526 -6.7526 -1.8344 -1.8344 0.2055 0.2055 1.1906 1.1906 1.9777 1.9777 2.4966 2.4966 3.2631 3.2631 7.5308 7.5308 7.8494 7.8494 8.9155 8.9155 9.2942 9.2942 k = 0.3670 0.5189 0.3259 ( 6325 PWs) bands (ev): -48.4224 -48.4224 -48.4131 -48.4131 -20.5047 -20.5047 -20.4455 -20.4455 -20.3121 -20.3121 -20.2729 -20.2729 -20.2586 -20.2586 -20.2416 -20.2416 -9.4127 -9.4127 -6.7353 -6.7353 -1.8936 -1.8936 0.1998 0.1998 1.1388 1.1388 2.0344 2.0344 2.5746 2.5746 3.2951 3.2951 7.4168 7.4168 7.8210 7.8210 8.8986 8.8986 9.2514 9.2514 k = 0.3723 0.5265 0.3129 ( 6341 PWs) bands (ev): -48.4226 -48.4226 -48.4129 -48.4129 -20.5062 -20.5062 -20.4449 -20.4449 -20.3124 -20.3124 -20.2717 -20.2717 -20.2590 -20.2590 -20.2413 -20.2413 -9.4149 -9.4149 -6.7177 -6.7177 -1.9523 -1.9523 0.1952 0.1952 1.0847 1.0847 2.0932 2.0932 2.6527 2.6527 3.3272 3.3272 7.3048 7.3048 7.7974 7.7974 8.8813 8.8813 9.2045 9.2045 k = 0.3777 0.5340 0.2998 ( 6341 PWs) bands (ev): -48.4228 -48.4228 -48.4127 -48.4127 -20.5077 -20.5077 -20.4443 -20.4443 -20.3126 -20.3126 -20.2706 -20.2706 -20.2594 -20.2594 -20.2410 -20.2410 -9.4171 -9.4171 -6.6998 -6.6998 -2.0103 -2.0103 0.1917 0.1917 1.0296 1.0296 2.1532 2.1532 2.7301 2.7301 3.3594 3.3594 7.1951 7.1951 7.7784 7.7784 8.8636 8.8636 9.1551 9.1551 k = 0.3830 0.5415 0.2868 ( 6323 PWs) bands (ev): -48.4229 -48.4229 -48.4126 -48.4126 -20.5090 -20.5090 -20.4438 -20.4438 -20.3128 -20.3128 -20.2694 -20.2694 -20.2597 -20.2597 -20.2406 -20.2406 -9.4192 -9.4192 -6.6815 -6.6815 -2.0675 -2.0675 0.1892 0.1892 0.9741 0.9741 2.2139 2.2139 2.8062 2.8062 3.3917 3.3917 7.0879 7.0879 7.7641 7.7641 8.8452 8.8452 9.1046 9.1046 k = 0.3883 0.5490 0.2738 ( 6317 PWs) bands (ev): -48.4230 -48.4230 -48.4124 -48.4124 -20.5104 -20.5104 -20.4433 -20.4433 -20.3130 -20.3130 -20.2683 -20.2683 -20.2600 -20.2600 -20.2403 -20.2403 -9.4212 -9.4212 -6.6632 -6.6632 -2.1237 -2.1237 0.1876 0.1876 0.9190 0.9190 2.2748 2.2748 2.8805 2.8805 3.4242 3.4242 6.9835 6.9835 7.7544 7.7544 8.8261 8.8261 9.0539 9.0539 k = 0.3936 0.5565 0.2608 ( 6314 PWs) bands (ev): -48.4232 -48.4232 -48.4123 -48.4123 -20.5117 -20.5117 -20.4428 -20.4428 -20.3132 -20.3132 -20.2673 -20.2673 -20.2603 -20.2603 -20.2399 -20.2399 -9.4230 -9.4230 -6.6447 -6.6447 -2.1787 -2.1787 0.1869 0.1869 0.8647 0.8647 2.3355 2.3355 2.9525 2.9525 3.4568 3.4568 6.8821 6.8821 7.7491 7.7491 8.8059 8.8059 9.0036 9.0036 k = 0.3989 0.5641 0.2477 ( 6311 PWs) bands (ev): -48.4233 -48.4233 -48.4121 -48.4121 -20.5130 -20.5130 -20.4424 -20.4424 -20.3133 -20.3133 -20.2663 -20.2663 -20.2606 -20.2606 -20.2396 -20.2396 -9.4248 -9.4248 -6.6261 -6.6261 -2.2325 -2.2325 0.1869 0.1869 0.8116 0.8116 2.3957 2.3957 3.0216 3.0216 3.4896 3.4896 6.7839 6.7839 7.7483 7.7483 8.7845 8.7845 8.9541 8.9541 k = 0.4043 0.5716 0.2347 ( 6314 PWs) bands (ev): -48.4235 -48.4235 -48.4120 -48.4120 -20.5142 -20.5142 -20.4420 -20.4420 -20.3135 -20.3135 -20.2653 -20.2653 -20.2609 -20.2609 -20.2393 -20.2393 -9.4264 -9.4264 -6.6077 -6.6077 -2.2847 -2.2847 0.1875 0.1875 0.7600 0.7600 2.4550 2.4550 3.0876 3.0876 3.5227 3.5227 6.6890 6.6890 7.7517 7.7517 8.7620 8.7620 8.9058 8.9058 k = 0.4096 0.5791 0.2217 ( 6312 PWs) bands (ev): -48.4236 -48.4236 -48.4119 -48.4119 -20.5154 -20.5154 -20.4416 -20.4416 -20.3136 -20.3136 -20.2644 -20.2644 -20.2611 -20.2611 -20.2391 -20.2391 -9.4279 -9.4279 -6.5894 -6.5894 -2.3354 -2.3354 0.1887 0.1887 0.7104 0.7104 2.5133 2.5133 3.1498 3.1498 3.5559 3.5559 6.5977 6.5977 7.7593 7.7593 8.7382 8.7382 8.8590 8.8590 k = 0.4149 0.5866 0.2087 ( 6320 PWs) bands (ev): -48.4237 -48.4237 -48.4118 -48.4118 -20.5165 -20.5165 -20.4413 -20.4413 -20.3138 -20.3138 -20.2635 -20.2635 -20.2614 -20.2614 -20.2388 -20.2388 -9.4293 -9.4293 -6.5713 -6.5713 -2.3843 -2.3843 0.1903 0.1903 0.6628 0.6628 2.5701 2.5701 3.2081 3.2081 3.5892 3.5892 6.5102 6.5102 7.7708 7.7708 8.7132 8.7132 8.8140 8.8140 k = 0.4202 0.5941 0.1956 ( 6314 PWs) bands (ev): -48.4238 -48.4238 -48.4116 -48.4116 -20.5176 -20.5176 -20.4410 -20.4410 -20.3139 -20.3139 -20.2628 -20.2628 -20.2615 -20.2615 -20.2385 -20.2385 -9.4307 -9.4307 -6.5536 -6.5536 -2.4312 -2.4312 0.1921 0.1921 0.6176 0.6176 2.6254 2.6254 3.2621 3.2621 3.6227 3.6227 6.4265 6.4265 7.7859 7.7859 8.6871 8.6871 8.7712 8.7712 k = 0.4255 0.6017 0.1826 ( 6326 PWs) bands (ev): -48.4239 -48.4239 -48.4115 -48.4115 -20.5186 -20.5186 -20.4407 -20.4407 -20.3141 -20.3141 -20.2625 -20.2625 -20.2612 -20.2612 -20.2384 -20.2384 -9.4319 -9.4319 -6.5363 -6.5363 -2.4761 -2.4761 0.1941 0.1941 0.5749 0.5749 2.6788 2.6788 3.3117 3.3117 3.6560 3.6560 6.3470 6.3470 7.8043 7.8043 8.6601 8.6601 8.7306 8.7306 k = 0.4309 0.6092 0.1696 ( 6332 PWs) bands (ev): -48.4240 -48.4240 -48.4114 -48.4114 -20.5196 -20.5196 -20.4404 -20.4404 -20.3142 -20.3142 -20.2625 -20.2625 -20.2607 -20.2607 -20.2382 -20.2382 -9.4330 -9.4330 -6.5196 -6.5196 -2.5187 -2.5187 0.1960 0.1960 0.5351 0.5351 2.7301 2.7301 3.3568 3.3568 3.6890 3.6890 6.2718 6.2718 7.8257 7.8257 8.6323 8.6323 8.6926 8.6926 k = 0.4362 0.6167 0.1566 ( 6332 PWs) bands (ev): -48.4241 -48.4241 -48.4114 -48.4114 -20.5205 -20.5205 -20.4402 -20.4402 -20.3143 -20.3143 -20.2627 -20.2627 -20.2600 -20.2600 -20.2379 -20.2379 -9.4340 -9.4340 -6.5035 -6.5035 -2.5589 -2.5589 0.1978 0.1978 0.4982 0.4982 2.7790 2.7790 3.3974 3.3974 3.7214 3.7214 6.2010 6.2010 7.8496 7.8496 8.6041 8.6041 8.6570 8.6570 k = 0.4415 0.6242 0.1435 ( 6330 PWs) bands (ev): -48.4242 -48.4242 -48.4113 -48.4113 -20.5213 -20.5213 -20.4400 -20.4400 -20.3143 -20.3143 -20.2628 -20.2628 -20.2594 -20.2594 -20.2377 -20.2377 -9.4349 -9.4349 -6.4883 -6.4883 -2.5966 -2.5966 0.1992 0.1992 0.4646 0.4646 2.8253 2.8253 3.4338 3.4338 3.7527 3.7527 6.1349 6.1349 7.8755 7.8755 8.5759 8.5759 8.6238 8.6238 k = 0.4468 0.6317 0.1305 ( 6334 PWs) bands (ev): -48.4243 -48.4243 -48.4112 -48.4112 -20.5221 -20.5221 -20.4398 -20.4398 -20.3144 -20.3144 -20.2630 -20.2630 -20.2588 -20.2588 -20.2376 -20.2376 -9.4357 -9.4357 -6.4738 -6.4738 -2.6315 -2.6315 0.1999 0.1999 0.4344 0.4344 2.8688 2.8688 3.4660 3.4660 3.7826 3.7826 6.0736 6.0736 7.9029 7.9029 8.5484 8.5484 8.5929 8.5929 k = 0.4521 0.6393 0.1175 ( 6332 PWs) bands (ev): -48.4244 -48.4244 -48.4111 -48.4111 -20.5228 -20.5228 -20.4396 -20.4396 -20.3145 -20.3145 -20.2632 -20.2632 -20.2582 -20.2582 -20.2374 -20.2374 -9.4364 -9.4364 -6.4604 -6.4604 -2.6637 -2.6637 0.1999 0.1999 0.4078 0.4078 2.9093 2.9093 3.4943 3.4943 3.8108 3.8108 6.0174 6.0174 7.9312 7.9312 8.5221 8.5221 8.5637 8.5637 k = 0.4574 0.6468 0.1045 ( 6335 PWs) bands (ev): -48.4244 -48.4244 -48.4111 -48.4111 -20.5234 -20.5234 -20.4395 -20.4395 -20.3145 -20.3145 -20.2634 -20.2634 -20.2577 -20.2577 -20.2373 -20.2373 -9.4370 -9.4370 -6.4481 -6.4481 -2.6928 -2.6928 0.1990 0.1990 0.3850 0.3850 2.9463 2.9463 3.5190 3.5190 3.8368 3.8368 5.9664 5.9664 7.9599 7.9599 8.4975 8.4975 8.5363 8.5363 k = 0.4628 0.6543 0.0914 ( 6329 PWs) bands (ev): -48.4245 -48.4245 -48.4110 -48.4110 -20.5239 -20.5239 -20.4393 -20.4393 -20.3146 -20.3146 -20.2635 -20.2635 -20.2572 -20.2572 -20.2371 -20.2371 -9.4376 -9.4376 -6.4369 -6.4369 -2.7189 -2.7189 0.1970 0.1970 0.3661 0.3661 2.9798 2.9798 3.5403 3.5403 3.8603 3.8603 5.9209 5.9209 7.9883 7.9883 8.4751 8.4751 8.5105 8.5105 k = 0.4681 0.6618 0.0784 ( 6329 PWs) bands (ev): -48.4245 -48.4245 -48.4109 -48.4109 -20.5244 -20.5244 -20.4392 -20.4392 -20.3146 -20.3146 -20.2636 -20.2636 -20.2568 -20.2568 -20.2370 -20.2370 -9.4380 -9.4380 -6.4270 -6.4270 -2.7418 -2.7418 0.1941 0.1941 0.3510 0.3510 3.0094 3.0094 3.5583 3.5583 3.8811 3.8811 5.8809 5.8809 8.0157 8.0157 8.4551 8.4551 8.4863 8.4863 k = 0.4734 0.6693 0.0654 ( 6323 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5248 -20.5248 -20.4391 -20.4391 -20.3146 -20.3146 -20.2637 -20.2637 -20.2565 -20.2565 -20.2369 -20.2369 -9.4384 -9.4384 -6.4185 -6.4185 -2.7613 -2.7613 0.1905 0.1905 0.3393 0.3393 3.0350 3.0350 3.5733 3.5733 3.8990 3.8990 5.8467 5.8467 8.0416 8.0416 8.4377 8.4377 8.4642 8.4642 k = 0.4787 0.6769 0.0524 ( 6321 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5251 -20.5251 -20.4390 -20.4390 -20.3146 -20.3146 -20.2638 -20.2638 -20.2562 -20.2562 -20.2368 -20.2368 -9.4387 -9.4387 -6.4115 -6.4115 -2.7774 -2.7774 0.1866 0.1866 0.3308 0.3308 3.0563 3.0563 3.5854 3.5854 3.9139 3.9139 5.8185 5.8185 8.0652 8.0652 8.4229 8.4229 8.4445 8.4445 k = 0.4840 0.6844 0.0393 ( 6316 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5254 -20.5254 -20.4390 -20.4390 -20.3146 -20.3146 -20.2638 -20.2638 -20.2560 -20.2560 -20.2367 -20.2367 -9.4390 -9.4390 -6.4059 -6.4059 -2.7901 -2.7901 0.1828 0.1828 0.3249 0.3249 3.0730 3.0730 3.5946 3.5946 3.9255 3.9255 5.7964 5.7964 8.0854 8.0854 8.4108 8.4108 8.4281 8.4281 k = 0.4894 0.6919 0.0263 ( 6316 PWs) bands (ev): -48.4246 -48.4246 -48.4108 -48.4108 -20.5255 -20.5255 -20.4389 -20.4389 -20.3146 -20.3146 -20.2639 -20.2639 -20.2559 -20.2559 -20.2366 -20.2366 -9.4392 -9.4392 -6.4019 -6.4019 -2.7991 -2.7991 0.1798 0.1798 0.3210 0.3210 3.0851 3.0851 3.6012 3.6012 3.9339 3.9339 5.7804 5.7804 8.1012 8.1012 8.4012 8.4012 8.4160 8.4160 k = 0.4947 0.6994 0.0133 ( 6324 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5257 -20.5257 -20.4390 -20.4390 -20.3146 -20.3146 -20.2639 -20.2639 -20.2558 -20.2558 -20.2366 -20.2366 -9.4393 -9.4393 -6.3994 -6.3994 -2.8046 -2.8046 0.1778 0.1778 0.3188 0.3188 3.0925 3.0925 3.6051 3.6051 3.9390 3.9390 5.7708 5.7708 8.1115 8.1115 8.3947 8.3947 8.4088 8.4088 k = 0.5000 0.7070 0.0003 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.5000 0.7070 0.0003 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.5000 0.7070 0.0000 ( 6434 PWs) bands (ev): -48.4248 -48.4248 -48.4108 -48.4108 -20.5259 -20.5259 -20.4393 -20.4393 -20.3148 -20.3148 -20.2643 -20.2643 -20.2562 -20.2562 -20.2368 -20.2368 -9.4393 -9.4393 -6.3986 -6.3986 -2.8064 -2.8064 0.1771 0.1771 0.3181 0.3181 3.0949 3.0949 3.6064 3.6064 3.9407 3.9407 5.7675 5.7675 8.1151 8.1151 8.3923 8.3923 8.4064 8.4064 k = 0.0000 0.0000 0.6124 ( 6300 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5251 -20.5251 -20.4373 -20.4373 -20.3165 -20.3165 -20.2621 -20.2621 -20.2542 -20.2542 -20.2391 -20.2391 -9.5019 -9.5019 -6.3996 -6.3996 -2.5928 -2.5928 -0.2861 -0.2861 1.4947 1.4947 2.7060 2.7060 3.3483 3.3483 3.8133 3.8133 6.1266 6.1266 8.0793 8.0793 8.3009 8.3009 8.5679 8.5679 k = 0.0093 0.0131 0.6124 ( 6302 PWs) bands (ev): -48.4248 -48.4248 -48.4107 -48.4107 -20.5250 -20.5250 -20.4373 -20.4373 -20.3165 -20.3165 -20.2621 -20.2621 -20.2543 -20.2543 -20.2391 -20.2391 -9.5014 -9.5014 -6.4018 -6.4018 -2.5884 -2.5884 -0.2847 -0.2847 1.4951 1.4951 2.7013 2.7013 3.3417 3.3417 3.8104 3.8104 6.1344 6.1344 8.0793 8.0793 8.3071 8.3071 8.5705 8.5705 k = 0.0185 0.0262 0.6124 ( 6294 PWs) bands (ev): -48.4247 -48.4247 -48.4107 -48.4107 -20.5247 -20.5247 -20.4374 -20.4374 -20.3165 -20.3165 -20.2620 -20.2620 -20.2545 -20.2545 -20.2392 -20.2392 -9.5002 -9.5002 -6.4081 -6.4081 -2.5752 -2.5752 -0.2806 -0.2806 1.4963 1.4963 2.6876 2.6876 3.3221 3.3221 3.8018 3.8018 6.1575 6.1575 8.0798 8.0798 8.3254 8.3254 8.5781 8.5781 k = 0.0278 0.0393 0.6124 ( 6302 PWs) bands (ev): -48.4247 -48.4247 -48.4108 -48.4108 -20.5242 -20.5242 -20.4375 -20.4375 -20.3164 -20.3164 -20.2620 -20.2620 -20.2549 -20.2549 -20.2393 -20.2393 -9.4982 -9.4982 -6.4186 -6.4186 -2.5533 -2.5533 -0.2737 -0.2737 1.4982 1.4982 2.6652 2.6652 3.2897 3.2897 3.7875 3.7875 6.1956 6.1956 8.0815 8.0815 8.3547 8.3547 8.5906 8.5906 k = 0.0370 0.0524 0.6124 ( 6306 PWs) bands (ev): -48.4246 -48.4246 -48.4109 -48.4109 -20.5234 -20.5234 -20.4378 -20.4378 -20.3163 -20.3163 -20.2620 -20.2620 -20.2555 -20.2555 -20.2394 -20.2394 -9.4954 -9.4954 -6.4329 -6.4329 -2.5230 -2.5230 -0.2641 -0.2641 1.5006 1.5006 2.6351 2.6351 3.2452 3.2452 3.7678 3.7678 6.2478 6.2478 8.0849 8.0849 8.3936 8.3936 8.6079 8.6079 k = 0.0463 0.0655 0.6124 ( 6314 PWs) bands (ev): -48.4245 -48.4245 -48.4110 -48.4110 -20.5224 -20.5224 -20.4381 -20.4381 -20.3162 -20.3162 -20.2621 -20.2621 -20.2561 -20.2561 -20.2396 -20.2396 -9.4919 -9.4919 -6.4509 -6.4509 -2.4846 -2.4846 -0.2518 -0.2518 1.5032 1.5032 2.5983 2.5983 3.1893 3.1893 3.7430 3.7430 6.3134 6.3134 8.0908 8.0908 8.4409 8.4409 8.6298 8.6298 k = 0.0556 0.0786 0.6124 ( 6314 PWs) bands (ev): -48.4244 -48.4244 -48.4111 -48.4111 -20.5213 -20.5213 -20.4385 -20.4385 -20.3160 -20.3160 -20.2622 -20.2622 -20.2567 -20.2567 -20.2398 -20.2398 -9.4876 -9.4876 -6.4721 -6.4721 -2.4385 -2.4385 -0.2368 -0.2368 1.5058 1.5058 2.5561 2.5561 3.1228 3.1228 3.7133 3.7133 6.3913 6.3913 8.0992 8.0992 8.4951 8.4951 8.6561 8.6561 k = 0.0648 0.0916 0.6124 ( 6314 PWs) bands (ev): -48.4242 -48.4242 -48.4113 -48.4113 -20.5200 -20.5200 -20.4389 -20.4389 -20.3158 -20.3158 -20.2625 -20.2625 -20.2573 -20.2573 -20.2400 -20.2400 -9.4827 -9.4827 -6.4961 -6.4961 -2.3851 -2.3851 -0.2191 -0.2191 1.5077 1.5077 2.5099 2.5099 3.0468 3.0468 3.6791 3.6791 6.4804 6.4804 8.1104 8.1104 8.5549 8.5549 8.6868 8.6868 k = 0.0741 0.1047 0.6124 ( 6318 PWs) bands (ev): -48.4240 -48.4240 -48.4114 -48.4114 -20.5184 -20.5184 -20.4395 -20.4395 -20.3156 -20.3156 -20.2631 -20.2631 -20.2578 -20.2578 -20.2403 -20.2403 -9.4772 -9.4772 -6.5226 -6.5226 -2.3249 -2.3249 -0.1987 -0.1987 1.5084 1.5084 2.4614 2.4614 2.9623 2.9623 3.6408 3.6408 6.5797 6.5797 8.1243 8.1243 8.6188 8.6188 8.7221 8.7221 k = 0.0833 0.1178 0.6124 ( 6300 PWs) bands (ev): -48.4238 -48.4238 -48.4116 -48.4116 -20.5166 -20.5166 -20.4401 -20.4401 -20.3152 -20.3152 -20.2640 -20.2640 -20.2581 -20.2581 -20.2406 -20.2406 -9.4711 -9.4711 -6.5510 -6.5510 -2.2584 -2.2584 -0.1756 -0.1756 1.5070 1.5070 2.4123 2.4123 2.8703 2.8703 3.5988 3.5988 6.6882 6.6882 8.1408 8.1408 8.6842 8.6842 8.7628 8.7628 k = 0.0926 0.1309 0.6124 ( 6322 PWs) bands (ev): -48.4236 -48.4236 -48.4118 -48.4118 -20.5147 -20.5147 -20.4408 -20.4408 -20.3150 -20.3150 -20.2653 -20.2653 -20.2582 -20.2582 -20.2410 -20.2410 -9.4645 -9.4645 -6.5810 -6.5810 -2.1862 -2.1862 -0.1498 -0.1498 1.5024 1.5024 2.3642 2.3642 2.7722 2.7722 3.5535 3.5535 6.8048 6.8048 8.1599 8.1599 8.7474 8.7474 8.8118 8.8118 k = 0.1019 0.1440 0.6124 ( 6336 PWs) bands (ev): -48.4234 -48.4234 -48.4121 -48.4121 -20.5127 -20.5127 -20.4416 -20.4416 -20.3146 -20.3146 -20.2668 -20.2668 -20.2581 -20.2581 -20.2414 -20.2414 -9.4575 -9.4575 -6.6121 -6.6121 -2.1089 -2.1089 -0.1214 -0.1214 1.4936 1.4936 2.3188 2.3188 2.6690 2.6690 3.5053 3.5053 6.9287 6.9287 8.1814 8.1814 8.8042 8.8042 8.8716 8.8716 k = 0.1111 0.1571 0.6124 ( 6336 PWs) bands (ev): -48.4232 -48.4232 -48.4123 -48.4123 -20.5105 -20.5105 -20.4425 -20.4425 -20.3142 -20.3142 -20.2684 -20.2684 -20.2579 -20.2579 -20.2417 -20.2417 -9.4502 -9.4502 -6.6438 -6.6438 -2.0270 -2.0270 -0.0904 -0.0904 1.4793 1.4793 2.2776 2.2776 2.5625 2.5625 3.4546 3.4546 7.0591 7.0591 8.2052 8.2052 8.8555 8.8555 8.9403 8.9403 k = 0.1204 0.1702 0.6124 ( 6332 PWs) bands (ev): -48.4229 -48.4229 -48.4126 -48.4126 -20.5081 -20.5081 -20.4434 -20.4434 -20.3137 -20.3137 -20.2702 -20.2702 -20.2576 -20.2576 -20.2422 -20.2422 -9.4426 -9.4426 -6.6757 -6.6757 -1.9413 -1.9413 -0.0568 -0.0568 1.4583 1.4583 2.2407 2.2407 2.4552 2.4552 3.4019 3.4019 7.1951 7.1951 8.2312 8.2312 8.9050 8.9050 9.0129 9.0129 k = 0.1296 0.1833 0.6124 ( 6336 PWs) bands (ev): -48.4226 -48.4226 -48.4129 -48.4129 -20.5057 -20.5057 -20.4445 -20.4445 -20.3132 -20.3132 -20.2721 -20.2721 -20.2573 -20.2573 -20.2426 -20.2426 -9.4348 -9.4348 -6.7074 -6.7074 -1.8524 -1.8524 -0.0207 -0.0207 1.4299 1.4299 2.2042 2.2042 2.3532 2.3532 3.3474 3.3474 7.3361 7.3361 8.2591 8.2591 8.9547 8.9547 9.0863 9.0863 k = 0.1389 0.1964 0.6124 ( 6340 PWs) bands (ev): -48.4223 -48.4223 -48.4132 -48.4132 -20.5031 -20.5031 -20.4457 -20.4457 -20.3126 -20.3126 -20.2742 -20.2742 -20.2569 -20.2569 -20.2431 -20.2431 -9.4270 -9.4270 -6.7384 -6.7384 -1.7610 -1.7610 0.0180 0.0180 1.3937 1.3937 2.1505 2.1505 2.2759 2.2759 3.2917 3.2917 7.4813 7.4813 8.2888 8.2888 9.0054 9.0054 9.1586 9.1586 k = 0.1481 0.2095 0.6124 ( 6332 PWs) bands (ev): -48.4220 -48.4220 -48.4135 -48.4135 -20.5003 -20.5003 -20.4470 -20.4470 -20.3118 -20.3118 -20.2763 -20.2763 -20.2564 -20.2564 -20.2436 -20.2436 -9.4193 -9.4193 -6.7685 -6.7685 -1.6680 -1.6680 0.0592 0.0592 1.3502 1.3502 2.0615 2.0615 2.2424 2.2424 3.2350 3.2350 7.6301 7.6301 8.3201 8.3201 9.0573 9.0573 9.2285 9.2285 k = 0.1574 0.2226 0.6124 ( 6334 PWs) bands (ev): -48.4216 -48.4216 -48.4139 -48.4139 -20.4975 -20.4975 -20.4485 -20.4485 -20.3111 -20.3111 -20.2784 -20.2784 -20.2560 -20.2560 -20.2441 -20.2441 -9.4118 -9.4118 -6.7972 -6.7972 -1.5743 -1.5743 0.1027 0.1027 1.3003 1.3003 1.9549 1.9549 2.2356 2.2356 3.1779 3.1779 7.7817 7.7817 8.3527 8.3527 9.1105 9.1105 9.2948 9.2948 k = 0.1667 0.2357 0.6124 ( 6330 PWs) bands (ev): -48.4213 -48.4213 -48.4142 -48.4142 -20.4947 -20.4947 -20.4500 -20.4500 -20.3102 -20.3102 -20.2805 -20.2805 -20.2554 -20.2554 -20.2446 -20.2446 -9.4045 -9.4045 -6.8242 -6.8242 -1.4808 -1.4808 0.1487 0.1487 1.2451 1.2451 1.8446 1.8446 2.2419 2.2419 3.1206 3.1206 7.9354 7.9354 8.3864 8.3864 9.1649 9.1649 9.3564 9.3564 k = 0.1759 0.2487 0.6124 ( 6332 PWs) bands (ev): -48.4209 -48.4209 -48.4146 -48.4146 -20.4918 -20.4918 -20.4516 -20.4516 -20.3093 -20.3093 -20.2827 -20.2827 -20.2549 -20.2549 -20.2452 -20.2452 -9.3976 -9.3976 -6.8493 -6.8493 -1.3889 -1.3889 0.1969 0.1969 1.1857 1.1857 1.7355 1.7355 2.2566 2.2566 3.0636 3.0636 8.0901 8.0901 8.4210 8.4210 9.2202 9.2202 9.4123 9.4123 k = 0.1852 0.2618 0.6124 ( 6324 PWs) bands (ev): -48.4205 -48.4205 -48.4149 -48.4149 -20.4889 -20.4889 -20.4534 -20.4534 -20.3083 -20.3083 -20.2849 -20.2849 -20.2543 -20.2543 -20.2458 -20.2458 -9.3912 -9.3912 -6.8721 -6.8721 -1.2999 -1.2999 0.2474 0.2474 1.1234 1.1234 1.6303 1.6303 2.2776 2.2776 3.0073 3.0073 8.2440 8.2440 8.4570 8.4570 9.2761 9.2761 9.4612 9.4612 k = 0.1944 0.2749 0.6124 ( 6324 PWs) bands (ev): -48.4202 -48.4202 -48.4153 -48.4153 -20.4860 -20.4860 -20.4553 -20.4553 -20.3072 -20.3072 -20.2870 -20.2870 -20.2538 -20.2538 -20.2463 -20.2463 -9.3854 -9.3854 -6.8924 -6.8924 -1.2156 -1.2156 0.2999 0.2999 1.0592 1.0592 1.5310 1.5310 2.3033 2.3033 2.9522 2.9522 8.3903 8.3903 8.4995 8.4995 9.3317 9.3317 9.5014 9.5014 k = 0.2037 0.2880 0.6124 ( 6332 PWs) bands (ev): -48.4198 -48.4198 -48.4157 -48.4157 -20.4831 -20.4831 -20.4573 -20.4573 -20.3061 -20.3061 -20.2891 -20.2891 -20.2532 -20.2532 -20.2470 -20.2470 -9.3804 -9.3804 -6.9099 -6.9099 -1.1378 -1.1378 0.3544 0.3544 0.9940 0.9940 1.4402 1.4402 2.3323 2.3323 2.8991 2.8991 8.4883 8.4883 8.5874 8.5874 9.3856 9.3856 9.5314 9.5314 k = 0.2130 0.3011 0.6124 ( 6330 PWs) bands (ev): -48.4194 -48.4194 -48.4161 -48.4161 -20.4802 -20.4802 -20.4595 -20.4595 -20.3048 -20.3048 -20.2912 -20.2912 -20.2526 -20.2526 -20.2476 -20.2476 -9.3761 -9.3761 -6.9245 -6.9245 -1.0690 -1.0690 0.4106 0.4106 0.9286 0.9286 1.3602 1.3602 2.3633 2.3633 2.8488 2.8488 8.5287 8.5287 8.7275 8.7275 9.4338 9.4338 9.5499 9.5499 k = 0.2222 0.3142 0.6124 ( 6320 PWs) bands (ev): -48.4190 -48.4190 -48.4165 -48.4165 -20.4773 -20.4773 -20.4617 -20.4617 -20.3034 -20.3034 -20.2931 -20.2931 -20.2520 -20.2520 -20.2482 -20.2482 -9.3727 -9.3727 -6.9361 -6.9361 -1.0116 -1.0116 0.4681 0.4681 0.8638 0.8638 1.2937 1.2937 2.3944 2.3944 2.8031 2.8031 8.5551 8.5551 8.8731 8.8731 9.4637 9.4637 9.5616 9.5616 k = 0.2315 0.3273 0.6124 ( 6324 PWs) bands (ev): -48.4186 -48.4186 -48.4169 -48.4169 -20.4746 -20.4746 -20.4641 -20.4641 -20.3019 -20.3019 -20.2950 -20.2950 -20.2514 -20.2514 -20.2488 -20.2488 -9.3702 -9.3702 -6.9444 -6.9444 -0.9681 -0.9681 0.5258 0.5258 0.8008 0.8008 1.2436 1.2436 2.4227 2.4227 2.7645 2.7645 8.5742 8.5742 9.0137 9.0137 9.4492 9.4492 9.5812 9.5812 k = 0.2407 0.3404 0.6124 ( 6344 PWs) bands (ev): -48.4182 -48.4182 -48.4174 -48.4174 -20.4719 -20.4719 -20.4666 -20.4666 -20.3004 -20.3004 -20.2969 -20.2969 -20.2508 -20.2508 -20.2495 -20.2495 -9.3687 -9.3687 -6.9495 -6.9495 -0.9410 -0.9410 0.5801 0.5801 0.7432 0.7432 1.2124 1.2124 2.4436 2.4436 2.7373 2.7373 8.5860 8.5860 9.1423 9.1423 9.3885 9.3885 9.6042 9.6042 k = 0.2500 0.3535 0.6124 ( 6356 PWs) bands (ev): -48.4178 -48.4178 -48.4178 -48.4178 -20.4693 -20.4693 -20.4691 -20.4691 -20.2989 -20.2989 -20.2986 -20.2986 -20.2503 -20.2503 -20.2500 -20.2500 -9.3682 -9.3682 -6.9512 -6.9512 -0.9317 -0.9317 0.6107 0.6107 0.7116 0.7116 1.2017 1.2017 2.4516 2.4516 2.7273 2.7273 8.5900 8.5900 9.2218 9.2218 9.3298 9.3298 9.6138 9.6138 Writing output data file Na2TeC2.save init_run : 0.26s CPU 0.41s WALL ( 1 calls) electrons : 130.22s CPU 133.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 130.21s CPU 133.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 337 calls) cegterg : 117.86s CPU 119.11s WALL ( 354 calls) Called by sum_band: Called by *egterg: h_psi : 86.25s CPU 87.27s WALL ( 6082 calls) s_psi : 1.99s CPU 2.00s WALL ( 6082 calls) g_psi : 0.22s CPU 0.24s WALL ( 5391 calls) cdiaghg : 26.85s CPU 27.45s WALL ( 5728 calls) cegterg:over : 4.36s CPU 4.34s WALL ( 5391 calls) cegterg:upda : 4.32s CPU 4.24s WALL ( 5391 calls) cegterg:last : 2.30s CPU 2.30s WALL ( 1028 calls) cdiaghg:chol : 1.51s CPU 1.59s WALL ( 5728 calls) cdiaghg:inve : 0.77s CPU 0.81s WALL ( 5728 calls) cdiaghg:para : 1.54s CPU 1.61s WALL ( 11456 calls) Called by h_psi: h_psi:vloc : 80.67s CPU 81.77s WALL ( 6082 calls) h_psi:vnl : 5.33s CPU 5.28s WALL ( 6082 calls) add_vuspsi : 2.49s CPU 2.44s WALL ( 6082 calls) General routines calbec : 2.82s CPU 2.82s WALL ( 6082 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.48s CPU 77.38s WALL ( 525912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.64s WALL ( 674 calls) Parallel routines fft_scatter : 23.93s CPU 24.10s WALL ( 525935 calls) PWSCF : 2m26.83s CPU 2m59.54s WALL This run was terminated on: 16:24:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=