Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3: 1 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: ./ZrO2.save/ 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 68 42 12 2593 1246 194 Max 69 43 13 2597 1270 197 Sum 2463 1519 437 93387 45261 7023 bravais-lattice index = 14 lattice parameter (alat) = 9.8360 a.u. unit-cell volume = 948.2570 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.836024 celldm(2)= 0.988665 celldm(3)= 1.020749 celldm(4)= 0.158158 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.988665 0.000000 ) a(3) = ( 0.000000 0.161440 1.007902 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.011465 -0.162010 ) b(3) = ( 0.000000 0.000000 0.992160 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0807199 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5039510 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.0807199 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5039510 ) 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0000000 0.0165360), wk = 0.0035211 k( 3) = ( 0.0000000 0.0000000 0.0330720), wk = 0.0035211 k( 4) = ( 0.0000000 0.0000000 0.0496080), wk = 0.0035211 k( 5) = ( 0.0000000 0.0000000 0.0661440), wk = 0.0035211 k( 6) = ( 0.0000000 0.0000000 0.0826800), wk = 0.0035211 k( 7) = ( 0.0000000 0.0000000 0.0992160), wk = 0.0035211 k( 8) = ( 0.0000000 0.0000000 0.1157520), wk = 0.0035211 k( 9) = ( 0.0000000 0.0000000 0.1322880), wk = 0.0035211 k( 10) = ( 0.0000000 0.0000000 0.1488240), wk = 0.0035211 k( 11) = ( 0.0000000 0.0000000 0.1653600), wk = 0.0035211 k( 12) = ( 0.0000000 0.0000000 0.1818960), wk = 0.0035211 k( 13) = ( 0.0000000 0.0000000 0.1984320), wk = 0.0035211 k( 14) = ( 0.0000000 0.0000000 0.2149680), wk = 0.0035211 k( 15) = ( 0.0000000 0.0000000 0.2315040), wk = 0.0035211 k( 16) = ( 0.0000000 0.0000000 0.2480400), wk = 0.0035211 k( 17) = ( 0.0000000 0.0000000 0.2645760), wk = 0.0035211 k( 18) = ( 0.0000000 0.0000000 0.2811120), wk = 0.0035211 k( 19) = ( 0.0000000 0.0000000 0.2976480), wk = 0.0035211 k( 20) = ( 0.0000000 0.0000000 0.3141840), wk = 0.0035211 k( 21) = ( 0.0000000 0.0000000 0.3307200), wk = 0.0035211 k( 22) = ( 0.0000000 0.0000000 0.3472560), wk = 0.0035211 k( 23) = ( 0.0000000 0.0000000 0.3637920), wk = 0.0035211 k( 24) = ( 0.0000000 0.0000000 0.3803280), wk = 0.0035211 k( 25) = ( 0.0000000 0.0000000 0.3968640), wk = 0.0035211 k( 26) = ( 0.0000000 0.0000000 0.4134000), wk = 0.0035211 k( 27) = ( 0.0000000 0.0000000 0.4299360), wk = 0.0035211 k( 28) = ( 0.0000000 0.0000000 0.4464720), wk = 0.0035211 k( 29) = ( 0.0000000 0.0000000 0.4630080), wk = 0.0035211 k( 30) = ( 0.0000000 0.0000000 0.4795440), wk = 0.0035211 k( 31) = ( 0.0000000 0.0000000 0.4960800), wk = 0.0035211 k( 32) = ( 0.0000000 0.0000000 0.4960800), wk = 0.0035211 k( 33) = ( 0.0000000 0.0162685 0.4960800), wk = 0.0035211 k( 34) = ( 0.0000000 0.0325369 0.4960800), wk = 0.0035211 k( 35) = ( 0.0000000 0.0488054 0.4960800), wk = 0.0035211 k( 36) = ( 0.0000000 0.0650738 0.4960800), wk = 0.0035211 k( 37) = ( 0.0000000 0.0813423 0.4960800), wk = 0.0035211 k( 38) = ( 0.0000000 0.0976108 0.4960800), wk = 0.0035211 k( 39) = ( 0.0000000 0.1138792 0.4960800), wk = 0.0035211 k( 40) = ( 0.0000000 0.1301477 0.4960800), wk = 0.0035211 k( 41) = ( 0.0000000 0.1464161 0.4960800), wk = 0.0035211 k( 42) = ( 0.0000000 0.1626846 0.4960800), wk = 0.0035211 k( 43) = ( 0.0000000 0.1789530 0.4960800), wk = 0.0035211 k( 44) = ( 0.0000000 0.1952215 0.4960800), wk = 0.0035211 k( 45) = ( 0.0000000 0.2114900 0.4960800), wk = 0.0035211 k( 46) = ( 0.0000000 0.2277584 0.4960800), wk = 0.0035211 k( 47) = ( 0.0000000 0.2440269 0.4960800), wk = 0.0035211 k( 48) = ( 0.0000000 0.2602953 0.4960800), wk = 0.0035211 k( 49) = ( 0.0000000 0.2765638 0.4960800), wk = 0.0035211 k( 50) = ( 0.0000000 0.2928323 0.4960800), wk = 0.0035211 k( 51) = ( 0.0000000 0.3091007 0.4960800), wk = 0.0035211 k( 52) = ( 0.0000000 0.3253692 0.4960800), wk = 0.0035211 k( 53) = ( 0.0000000 0.3416376 0.4960800), wk = 0.0035211 k( 54) = ( 0.0000000 0.3579061 0.4960800), wk = 0.0035211 k( 55) = ( 0.0000000 0.3741746 0.4960800), wk = 0.0035211 k( 56) = ( 0.0000000 0.3904430 0.4960800), wk = 0.0035211 k( 57) = ( 0.0000000 0.4067115 0.4960800), wk = 0.0035211 k( 58) = ( 0.0000000 0.4229799 0.4960800), wk = 0.0035211 k( 59) = ( 0.0000000 0.4392484 0.4960800), wk = 0.0035211 k( 60) = ( 0.0000000 0.4392484 0.4960800), wk = 0.0035211 k( 61) = ( 0.0000000 0.4487461 0.4845078), wk = 0.0035211 k( 62) = ( 0.0000000 0.4582439 0.4729357), wk = 0.0035211 k( 63) = ( 0.0000000 0.4677416 0.4613635), wk = 0.0035211 k( 64) = ( 0.0000000 0.4772394 0.4497913), wk = 0.0035211 k( 65) = ( 0.0000000 0.4867371 0.4382191), wk = 0.0035211 k( 66) = ( 0.0000000 0.4962349 0.4266470), wk = 0.0035211 k( 67) = ( 0.0000000 0.5057326 0.4150748), wk = 0.0035211 k( 68) = ( 0.0000000 0.5057326 0.4150748), wk = 0.0035211 k( 69) = ( 0.0161290 0.5057326 0.4150748), wk = 0.0035211 k( 70) = ( 0.0322581 0.5057326 0.4150748), wk = 0.0035211 k( 71) = ( 0.0483871 0.5057326 0.4150748), wk = 0.0035211 k( 72) = ( 0.0645161 0.5057326 0.4150748), wk = 0.0035211 k( 73) = ( 0.0806452 0.5057326 0.4150748), wk = 0.0035211 k( 74) = ( 0.0967742 0.5057326 0.4150748), wk = 0.0035211 k( 75) = ( 0.1129032 0.5057326 0.4150748), wk = 0.0035211 k( 76) = ( 0.1290323 0.5057326 0.4150748), wk = 0.0035211 k( 77) = ( 0.1451613 0.5057326 0.4150748), wk = 0.0035211 k( 78) = ( 0.1612903 0.5057326 0.4150748), wk = 0.0035211 k( 79) = ( 0.1774194 0.5057326 0.4150748), wk = 0.0035211 k( 80) = ( 0.1935484 0.5057326 0.4150748), wk = 0.0035211 k( 81) = ( 0.2096774 0.5057326 0.4150748), wk = 0.0035211 k( 82) = ( 0.2258064 0.5057326 0.4150748), wk = 0.0035211 k( 83) = ( 0.2419355 0.5057326 0.4150748), wk = 0.0035211 k( 84) = ( 0.2580645 0.5057326 0.4150748), wk = 0.0035211 k( 85) = ( 0.2741936 0.5057326 0.4150748), wk = 0.0035211 k( 86) = ( 0.2903226 0.5057326 0.4150748), wk = 0.0035211 k( 87) = ( 0.3064516 0.5057326 0.4150748), wk = 0.0035211 k( 88) = ( 0.3225807 0.5057326 0.4150748), wk = 0.0035211 k( 89) = ( 0.3387097 0.5057326 0.4150748), wk = 0.0035211 k( 90) = ( 0.3548387 0.5057326 0.4150748), wk = 0.0035211 k( 91) = ( 0.3709677 0.5057326 0.4150748), wk = 0.0035211 k( 92) = ( 0.3870968 0.5057326 0.4150748), wk = 0.0035211 k( 93) = ( 0.4032258 0.5057326 0.4150748), wk = 0.0035211 k( 94) = ( 0.4193548 0.5057326 0.4150748), wk = 0.0035211 k( 95) = ( 0.4354839 0.5057326 0.4150748), wk = 0.0035211 k( 96) = ( 0.4516129 0.5057326 0.4150748), wk = 0.0035211 k( 97) = ( 0.4677419 0.5057326 0.4150748), wk = 0.0035211 k( 98) = ( 0.4838710 0.5057326 0.4150748), wk = 0.0035211 k( 99) = ( 0.5000000 0.5057326 0.4150748), wk = 0.0035211 k( 100) = ( 0.5000000 0.5057326 0.4150748), wk = 0.0035211 k( 101) = ( 0.5000000 0.5152303 0.4035026), wk = 0.0035211 k( 102) = ( 0.5000000 0.5247281 0.3919304), wk = 0.0035211 k( 103) = ( 0.5000000 0.5342258 0.3803582), wk = 0.0035211 k( 104) = ( 0.5000000 0.5437236 0.3687861), wk = 0.0035211 k( 105) = ( 0.5000000 0.5532213 0.3572139), wk = 0.0035211 k( 106) = ( 0.5000000 0.5627191 0.3456417), wk = 0.0035211 k( 107) = ( 0.5000000 0.5722168 0.3340695), wk = 0.0035211 k( 108) = ( 0.5000000 0.5722168 0.3340695), wk = 0.0035211 k( 109) = ( 0.5000000 0.5696597 0.3181051), wk = 0.0035211 k( 110) = ( 0.5000000 0.5671026 0.3021407), wk = 0.0035211 k( 111) = ( 0.5000000 0.5645456 0.2861763), wk = 0.0035211 k( 112) = ( 0.5000000 0.5619885 0.2702119), wk = 0.0035211 k( 113) = ( 0.5000000 0.5594314 0.2542475), wk = 0.0035211 k( 114) = ( 0.5000000 0.5568743 0.2382830), wk = 0.0035211 k( 115) = ( 0.5000000 0.5543172 0.2223186), wk = 0.0035211 k( 116) = ( 0.5000000 0.5517601 0.2063542), wk = 0.0035211 k( 117) = ( 0.5000000 0.5492030 0.1903898), wk = 0.0035211 k( 118) = ( 0.5000000 0.5466460 0.1744254), wk = 0.0035211 k( 119) = ( 0.5000000 0.5440889 0.1584610), wk = 0.0035211 k( 120) = ( 0.5000000 0.5415318 0.1424966), wk = 0.0035211 k( 121) = ( 0.5000000 0.5389747 0.1265321), wk = 0.0035211 k( 122) = ( 0.5000000 0.5364176 0.1105677), wk = 0.0035211 k( 123) = ( 0.5000000 0.5338605 0.0946033), wk = 0.0035211 k( 124) = ( 0.5000000 0.5313035 0.0786389), wk = 0.0035211 k( 125) = ( 0.5000000 0.5287464 0.0626745), wk = 0.0035211 k( 126) = ( 0.5000000 0.5261893 0.0467101), wk = 0.0035211 k( 127) = ( 0.5000000 0.5236322 0.0307457), wk = 0.0035211 k( 128) = ( 0.5000000 0.5210751 0.0147812), wk = 0.0035211 k( 129) = ( 0.5000000 0.5185180 -0.0011832), wk = 0.0035211 k( 130) = ( 0.5000000 0.5159609 -0.0171476), wk = 0.0035211 k( 131) = ( 0.5000000 0.5134039 -0.0331120), wk = 0.0035211 k( 132) = ( 0.5000000 0.5108468 -0.0490764), wk = 0.0035211 k( 133) = ( 0.5000000 0.5082897 -0.0650408), wk = 0.0035211 k( 134) = ( 0.5000000 0.5057326 -0.0810052), wk = 0.0035211 k( 135) = ( 0.5000000 0.5057326 -0.0810052), wk = 0.0035211 k( 136) = ( 0.4838710 0.5057326 -0.0810052), wk = 0.0035211 k( 137) = ( 0.4677419 0.5057326 -0.0810052), wk = 0.0035211 k( 138) = ( 0.4516129 0.5057326 -0.0810052), wk = 0.0035211 k( 139) = ( 0.4354839 0.5057326 -0.0810052), wk = 0.0035211 k( 140) = ( 0.4193548 0.5057326 -0.0810052), wk = 0.0035211 k( 141) = ( 0.4032258 0.5057326 -0.0810052), wk = 0.0035211 k( 142) = ( 0.3870968 0.5057326 -0.0810052), wk = 0.0035211 k( 143) = ( 0.3709677 0.5057326 -0.0810052), wk = 0.0035211 k( 144) = ( 0.3548387 0.5057326 -0.0810052), wk = 0.0035211 k( 145) = ( 0.3387097 0.5057326 -0.0810052), wk = 0.0035211 k( 146) = ( 0.3225807 0.5057326 -0.0810052), wk = 0.0035211 k( 147) = ( 0.3064516 0.5057326 -0.0810052), wk = 0.0035211 k( 148) = ( 0.2903226 0.5057326 -0.0810052), wk = 0.0035211 k( 149) = ( 0.2741936 0.5057326 -0.0810052), wk = 0.0035211 k( 150) = ( 0.2580645 0.5057326 -0.0810052), wk = 0.0035211 k( 151) = ( 0.2419355 0.5057326 -0.0810052), wk = 0.0035211 k( 152) = ( 0.2258064 0.5057326 -0.0810052), wk = 0.0035211 k( 153) = ( 0.2096774 0.5057326 -0.0810052), wk = 0.0035211 k( 154) = ( 0.1935484 0.5057326 -0.0810052), wk = 0.0035211 k( 155) = ( 0.1774194 0.5057326 -0.0810052), wk = 0.0035211 k( 156) = ( 0.1612903 0.5057326 -0.0810052), wk = 0.0035211 k( 157) = ( 0.1451613 0.5057326 -0.0810052), wk = 0.0035211 k( 158) = ( 0.1290323 0.5057326 -0.0810052), wk = 0.0035211 k( 159) = ( 0.1129032 0.5057326 -0.0810052), wk = 0.0035211 k( 160) = ( 0.0967742 0.5057326 -0.0810052), wk = 0.0035211 k( 161) = ( 0.0806452 0.5057326 -0.0810052), wk = 0.0035211 k( 162) = ( 0.0645161 0.5057326 -0.0810052), wk = 0.0035211 k( 163) = ( 0.0483871 0.5057326 -0.0810052), wk = 0.0035211 k( 164) = ( 0.0322581 0.5057326 -0.0810052), wk = 0.0035211 k( 165) = ( 0.0161290 0.5057326 -0.0810052), wk = 0.0035211 k( 166) = ( 0.0000000 0.5057326 -0.0810052), wk = 0.0035211 k( 167) = ( 0.0000000 0.5057326 -0.0810052), wk = 0.0035211 k( 168) = ( 0.0000000 0.5082897 -0.0650408), wk = 0.0035211 k( 169) = ( 0.0000000 0.5108468 -0.0490764), wk = 0.0035211 k( 170) = ( 0.0000000 0.5134039 -0.0331120), wk = 0.0035211 k( 171) = ( 0.0000000 0.5159609 -0.0171476), wk = 0.0035211 k( 172) = ( 0.0000000 0.5185180 -0.0011832), wk = 0.0035211 k( 173) = ( 0.0000000 0.5210751 0.0147812), wk = 0.0035211 k( 174) = ( 0.0000000 0.5236322 0.0307457), wk = 0.0035211 k( 175) = ( 0.0000000 0.5261893 0.0467101), wk = 0.0035211 k( 176) = ( 0.0000000 0.5287464 0.0626745), wk = 0.0035211 k( 177) = ( 0.0000000 0.5313035 0.0786389), wk = 0.0035211 k( 178) = ( 0.0000000 0.5338605 0.0946033), wk = 0.0035211 k( 179) = ( 0.0000000 0.5364176 0.1105677), wk = 0.0035211 k( 180) = ( 0.0000000 0.5389747 0.1265321), wk = 0.0035211 k( 181) = ( 0.0000000 0.5415318 0.1424966), wk = 0.0035211 k( 182) = ( 0.0000000 0.5440889 0.1584610), wk = 0.0035211 k( 183) = ( 0.0000000 0.5466460 0.1744254), wk = 0.0035211 k( 184) = ( 0.0000000 0.5492030 0.1903898), wk = 0.0035211 k( 185) = ( 0.0000000 0.5517601 0.2063542), wk = 0.0035211 k( 186) = ( 0.0000000 0.5543172 0.2223186), wk = 0.0035211 k( 187) = ( 0.0000000 0.5568743 0.2382830), wk = 0.0035211 k( 188) = ( 0.0000000 0.5594314 0.2542475), wk = 0.0035211 k( 189) = ( 0.0000000 0.5619885 0.2702119), wk = 0.0035211 k( 190) = ( 0.0000000 0.5645456 0.2861763), wk = 0.0035211 k( 191) = ( 0.0000000 0.5671026 0.3021407), wk = 0.0035211 k( 192) = ( 0.0000000 0.5696597 0.3181051), wk = 0.0035211 k( 193) = ( 0.0000000 0.5722168 0.3340695), wk = 0.0035211 k( 194) = ( 0.5000000 0.4392484 0.4960800), wk = 0.0035211 k( 195) = ( 0.5000000 0.4229799 0.4960800), wk = 0.0035211 k( 196) = ( 0.5000000 0.4067115 0.4960800), wk = 0.0035211 k( 197) = ( 0.5000000 0.3904430 0.4960800), wk = 0.0035211 k( 198) = ( 0.5000000 0.3741746 0.4960800), wk = 0.0035211 k( 199) = ( 0.5000000 0.3579061 0.4960800), wk = 0.0035211 k( 200) = ( 0.5000000 0.3416376 0.4960800), wk = 0.0035211 k( 201) = ( 0.5000000 0.3253692 0.4960800), wk = 0.0035211 k( 202) = ( 0.5000000 0.3091007 0.4960800), wk = 0.0035211 k( 203) = ( 0.5000000 0.2928323 0.4960800), wk = 0.0035211 k( 204) = ( 0.5000000 0.2765638 0.4960800), wk = 0.0035211 k( 205) = ( 0.5000000 0.2602953 0.4960800), wk = 0.0035211 k( 206) = ( 0.5000000 0.2440269 0.4960800), wk = 0.0035211 k( 207) = ( 0.5000000 0.2277584 0.4960800), wk = 0.0035211 k( 208) = ( 0.5000000 0.2114900 0.4960800), wk = 0.0035211 k( 209) = ( 0.5000000 0.1952215 0.4960800), wk = 0.0035211 k( 210) = ( 0.5000000 0.1789530 0.4960800), wk = 0.0035211 k( 211) = ( 0.5000000 0.1626846 0.4960800), wk = 0.0035211 k( 212) = ( 0.5000000 0.1464161 0.4960800), wk = 0.0035211 k( 213) = ( 0.5000000 0.1301477 0.4960800), wk = 0.0035211 k( 214) = ( 0.5000000 0.1138792 0.4960800), wk = 0.0035211 k( 215) = ( 0.5000000 0.0976108 0.4960800), wk = 0.0035211 k( 216) = ( 0.5000000 0.0813423 0.4960800), wk = 0.0035211 k( 217) = ( 0.5000000 0.0650738 0.4960800), wk = 0.0035211 k( 218) = ( 0.5000000 0.0488054 0.4960800), wk = 0.0035211 k( 219) = ( 0.5000000 0.0325369 0.4960800), wk = 0.0035211 k( 220) = ( 0.5000000 0.0162685 0.4960800), wk = 0.0035211 k( 221) = ( 0.5000000 -0.0000000 0.4960800), wk = 0.0035211 k( 222) = ( 0.5000000 -0.0000000 0.4960800), wk = 0.0035211 k( 223) = ( 0.5000000 -0.0000000 0.4795440), wk = 0.0035211 k( 224) = ( 0.5000000 -0.0000000 0.4630080), wk = 0.0035211 k( 225) = ( 0.5000000 -0.0000000 0.4464720), wk = 0.0035211 k( 226) = ( 0.5000000 -0.0000000 0.4299360), wk = 0.0035211 k( 227) = ( 0.5000000 -0.0000000 0.4134000), wk = 0.0035211 k( 228) = ( 0.5000000 -0.0000000 0.3968640), wk = 0.0035211 k( 229) = ( 0.5000000 -0.0000000 0.3803280), wk = 0.0035211 k( 230) = ( 0.5000000 -0.0000000 0.3637920), wk = 0.0035211 k( 231) = ( 0.5000000 -0.0000000 0.3472560), wk = 0.0035211 k( 232) = ( 0.5000000 -0.0000000 0.3307200), wk = 0.0035211 k( 233) = ( 0.5000000 -0.0000000 0.3141840), wk = 0.0035211 k( 234) = ( 0.5000000 -0.0000000 0.2976480), wk = 0.0035211 k( 235) = ( 0.5000000 -0.0000000 0.2811120), wk = 0.0035211 k( 236) = ( 0.5000000 -0.0000000 0.2645760), wk = 0.0035211 k( 237) = ( 0.5000000 -0.0000000 0.2480400), wk = 0.0035211 k( 238) = ( 0.5000000 -0.0000000 0.2315040), wk = 0.0035211 k( 239) = ( 0.5000000 -0.0000000 0.2149680), wk = 0.0035211 k( 240) = ( 0.5000000 -0.0000000 0.1984320), wk = 0.0035211 k( 241) = ( 0.5000000 -0.0000000 0.1818960), wk = 0.0035211 k( 242) = ( 0.5000000 -0.0000000 0.1653600), wk = 0.0035211 k( 243) = ( 0.5000000 -0.0000000 0.1488240), wk = 0.0035211 k( 244) = ( 0.5000000 -0.0000000 0.1322880), wk = 0.0035211 k( 245) = ( 0.5000000 -0.0000000 0.1157520), wk = 0.0035211 k( 246) = ( 0.5000000 -0.0000000 0.0992160), wk = 0.0035211 k( 247) = ( 0.5000000 -0.0000000 0.0826800), wk = 0.0035211 k( 248) = ( 0.5000000 -0.0000000 0.0661440), wk = 0.0035211 k( 249) = ( 0.5000000 -0.0000000 0.0496080), wk = 0.0035211 k( 250) = ( 0.5000000 -0.0000000 0.0330720), wk = 0.0035211 k( 251) = ( 0.5000000 -0.0000000 0.0165360), wk = 0.0035211 k( 252) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035211 k( 253) = ( 0.0000000 0.0000000 0.4960800), wk = 0.0035211 k( 254) = ( 0.0161290 -0.0000000 0.4960800), wk = 0.0035211 k( 255) = ( 0.0322581 -0.0000000 0.4960800), wk = 0.0035211 k( 256) = ( 0.0483871 -0.0000000 0.4960800), wk = 0.0035211 k( 257) = ( 0.0645161 -0.0000000 0.4960800), wk = 0.0035211 k( 258) = ( 0.0806452 -0.0000000 0.4960800), wk = 0.0035211 k( 259) = ( 0.0967742 -0.0000000 0.4960800), wk = 0.0035211 k( 260) = ( 0.1129032 -0.0000000 0.4960800), wk = 0.0035211 k( 261) = ( 0.1290323 -0.0000000 0.4960800), wk = 0.0035211 k( 262) = ( 0.1451613 -0.0000000 0.4960800), wk = 0.0035211 k( 263) = ( 0.1612903 -0.0000000 0.4960800), wk = 0.0035211 k( 264) = ( 0.1774194 -0.0000000 0.4960800), wk = 0.0035211 k( 265) = ( 0.1935484 -0.0000000 0.4960800), wk = 0.0035211 k( 266) = ( 0.2096774 -0.0000000 0.4960800), wk = 0.0035211 k( 267) = ( 0.2258064 -0.0000000 0.4960800), wk = 0.0035211 k( 268) = ( 0.2419355 -0.0000000 0.4960800), wk = 0.0035211 k( 269) = ( 0.2580645 -0.0000000 0.4960800), wk = 0.0035211 k( 270) = ( 0.2741936 -0.0000000 0.4960800), wk = 0.0035211 k( 271) = ( 0.2903226 -0.0000000 0.4960800), wk = 0.0035211 k( 272) = ( 0.3064516 -0.0000000 0.4960800), wk = 0.0035211 k( 273) = ( 0.3225807 -0.0000000 0.4960800), wk = 0.0035211 k( 274) = ( 0.3387097 -0.0000000 0.4960800), wk = 0.0035211 k( 275) = ( 0.3548387 -0.0000000 0.4960800), wk = 0.0035211 k( 276) = ( 0.3709677 -0.0000000 0.4960800), wk = 0.0035211 k( 277) = ( 0.3870968 -0.0000000 0.4960800), wk = 0.0035211 k( 278) = ( 0.4032258 -0.0000000 0.4960800), wk = 0.0035211 k( 279) = ( 0.4193548 -0.0000000 0.4960800), wk = 0.0035211 k( 280) = ( 0.4354839 -0.0000000 0.4960800), wk = 0.0035211 k( 281) = ( 0.4516129 -0.0000000 0.4960800), wk = 0.0035211 k( 282) = ( 0.4677419 -0.0000000 0.4960800), wk = 0.0035211 k( 283) = ( 0.4838710 -0.0000000 0.4960800), wk = 0.0035211 k( 284) = ( 0.5000000 -0.0000000 0.4960800), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0035211 k( 3) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0035211 k( 4) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035211 k( 5) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0035211 k( 6) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035211 k( 7) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035211 k( 8) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0035211 k( 9) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0035211 k( 10) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035211 k( 11) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035211 k( 12) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0035211 k( 13) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035211 k( 14) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0035211 k( 15) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0035211 k( 16) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035211 k( 17) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0035211 k( 18) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0035211 k( 19) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035211 k( 20) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0035211 k( 21) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035211 k( 22) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035211 k( 23) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0035211 k( 24) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0035211 k( 25) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035211 k( 26) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035211 k( 27) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0035211 k( 28) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035211 k( 29) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0035211 k( 30) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0035211 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 33) = ( 0.0000000 0.0160840 0.5026264), wk = 0.0035211 k( 34) = ( 0.0000000 0.0321681 0.5052528), wk = 0.0035211 k( 35) = ( 0.0000000 0.0482522 0.5078791), wk = 0.0035211 k( 36) = ( 0.0000000 0.0643362 0.5105055), wk = 0.0035211 k( 37) = ( 0.0000000 0.0804203 0.5131319), wk = 0.0035211 k( 38) = ( 0.0000000 0.0965043 0.5157582), wk = 0.0035211 k( 39) = ( 0.0000000 0.1125884 0.5183846), wk = 0.0035211 k( 40) = ( 0.0000000 0.1286724 0.5210110), wk = 0.0035211 k( 41) = ( 0.0000000 0.1447565 0.5236374), wk = 0.0035211 k( 42) = ( 0.0000000 0.1608405 0.5262638), wk = 0.0035211 k( 43) = ( 0.0000000 0.1769246 0.5288901), wk = 0.0035211 k( 44) = ( 0.0000000 0.1930086 0.5315165), wk = 0.0035211 k( 45) = ( 0.0000000 0.2090927 0.5341429), wk = 0.0035211 k( 46) = ( 0.0000000 0.2251767 0.5367693), wk = 0.0035211 k( 47) = ( 0.0000000 0.2412608 0.5393956), wk = 0.0035211 k( 48) = ( 0.0000000 0.2573448 0.5420220), wk = 0.0035211 k( 49) = ( 0.0000000 0.2734289 0.5446484), wk = 0.0035211 k( 50) = ( 0.0000000 0.2895129 0.5472748), wk = 0.0035211 k( 51) = ( 0.0000000 0.3055970 0.5499011), wk = 0.0035211 k( 52) = ( 0.0000000 0.3216810 0.5525275), wk = 0.0035211 k( 53) = ( 0.0000000 0.3377651 0.5551539), wk = 0.0035211 k( 54) = ( 0.0000000 0.3538492 0.5577803), wk = 0.0035211 k( 55) = ( 0.0000000 0.3699332 0.5604066), wk = 0.0035211 k( 56) = ( 0.0000000 0.3860173 0.5630330), wk = 0.0035211 k( 57) = ( 0.0000000 0.4021013 0.5656594), wk = 0.0035211 k( 58) = ( 0.0000000 0.4181854 0.5682858), wk = 0.0035211 k( 59) = ( 0.0000000 0.4342694 0.5709121), wk = 0.0035211 k( 60) = ( 0.0000000 0.4342694 0.5709121), wk = 0.0035211 k( 61) = ( 0.0000000 0.4436595 0.5607818), wk = 0.0035211 k( 62) = ( 0.0000000 0.4530496 0.5506515), wk = 0.0035211 k( 63) = ( 0.0000000 0.4624397 0.5405212), wk = 0.0035211 k( 64) = ( 0.0000000 0.4718298 0.5303909), wk = 0.0035211 k( 65) = ( 0.0000000 0.4812198 0.5202606), wk = 0.0035211 k( 66) = ( 0.0000000 0.4906099 0.5101303), wk = 0.0035211 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035211 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035211 k( 69) = ( 0.0161290 0.5000000 0.5000000), wk = 0.0035211 k( 70) = ( 0.0322581 0.5000000 0.5000000), wk = 0.0035211 k( 71) = ( 0.0483871 0.5000000 0.5000000), wk = 0.0035211 k( 72) = ( 0.0645161 0.5000000 0.5000000), wk = 0.0035211 k( 73) = ( 0.0806452 0.5000000 0.5000000), wk = 0.0035211 k( 74) = ( 0.0967742 0.5000000 0.5000000), wk = 0.0035211 k( 75) = ( 0.1129032 0.5000000 0.5000000), wk = 0.0035211 k( 76) = ( 0.1290323 0.5000000 0.5000000), wk = 0.0035211 k( 77) = ( 0.1451613 0.5000000 0.5000000), wk = 0.0035211 k( 78) = ( 0.1612903 0.5000000 0.5000000), wk = 0.0035211 k( 79) = ( 0.1774194 0.5000000 0.5000000), wk = 0.0035211 k( 80) = ( 0.1935484 0.5000000 0.5000000), wk = 0.0035211 k( 81) = ( 0.2096774 0.5000000 0.5000000), wk = 0.0035211 k( 82) = ( 0.2258064 0.5000000 0.5000000), wk = 0.0035211 k( 83) = ( 0.2419355 0.5000000 0.5000000), wk = 0.0035211 k( 84) = ( 0.2580645 0.5000000 0.5000000), wk = 0.0035211 k( 85) = ( 0.2741936 0.5000000 0.5000000), wk = 0.0035211 k( 86) = ( 0.2903226 0.5000000 0.5000000), wk = 0.0035211 k( 87) = ( 0.3064516 0.5000000 0.5000000), wk = 0.0035211 k( 88) = ( 0.3225807 0.5000000 0.5000000), wk = 0.0035211 k( 89) = ( 0.3387097 0.5000000 0.5000000), wk = 0.0035211 k( 90) = ( 0.3548387 0.5000000 0.5000000), wk = 0.0035211 k( 91) = ( 0.3709677 0.5000000 0.5000000), wk = 0.0035211 k( 92) = ( 0.3870968 0.5000000 0.5000000), wk = 0.0035211 k( 93) = ( 0.4032258 0.5000000 0.5000000), wk = 0.0035211 k( 94) = ( 0.4193548 0.5000000 0.5000000), wk = 0.0035211 k( 95) = ( 0.4354839 0.5000000 0.5000000), wk = 0.0035211 k( 96) = ( 0.4516129 0.5000000 0.5000000), wk = 0.0035211 k( 97) = ( 0.4677419 0.5000000 0.5000000), wk = 0.0035211 k( 98) = ( 0.4838710 0.5000000 0.5000000), wk = 0.0035211 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 101) = ( 0.5000000 0.5093901 0.4898697), wk = 0.0035211 k( 102) = ( 0.5000000 0.5187802 0.4797394), wk = 0.0035211 k( 103) = ( 0.5000000 0.5281702 0.4696091), wk = 0.0035211 k( 104) = ( 0.5000000 0.5375603 0.4594788), wk = 0.0035211 k( 105) = ( 0.5000000 0.5469504 0.4493485), wk = 0.0035211 k( 106) = ( 0.5000000 0.5563405 0.4392182), wk = 0.0035211 k( 107) = ( 0.5000000 0.5657306 0.4290879), wk = 0.0035211 k( 108) = ( 0.5000000 0.5657306 0.4290879), wk = 0.0035211 k( 109) = ( 0.5000000 0.5632025 0.4125845), wk = 0.0035211 k( 110) = ( 0.5000000 0.5606744 0.3960811), wk = 0.0035211 k( 111) = ( 0.5000000 0.5581463 0.3795777), wk = 0.0035211 k( 112) = ( 0.5000000 0.5556182 0.3630743), wk = 0.0035211 k( 113) = ( 0.5000000 0.5530901 0.3465710), wk = 0.0035211 k( 114) = ( 0.5000000 0.5505620 0.3300676), wk = 0.0035211 k( 115) = ( 0.5000000 0.5480339 0.3135642), wk = 0.0035211 k( 116) = ( 0.5000000 0.5455058 0.2970608), wk = 0.0035211 k( 117) = ( 0.5000000 0.5429777 0.2805574), wk = 0.0035211 k( 118) = ( 0.5000000 0.5404496 0.2640541), wk = 0.0035211 k( 119) = ( 0.5000000 0.5379215 0.2475507), wk = 0.0035211 k( 120) = ( 0.5000000 0.5353934 0.2310473), wk = 0.0035211 k( 121) = ( 0.5000000 0.5328653 0.2145439), wk = 0.0035211 k( 122) = ( 0.5000000 0.5303372 0.1980406), wk = 0.0035211 k( 123) = ( 0.5000000 0.5278091 0.1815372), wk = 0.0035211 k( 124) = ( 0.5000000 0.5252810 0.1650338), wk = 0.0035211 k( 125) = ( 0.5000000 0.5227529 0.1485304), wk = 0.0035211 k( 126) = ( 0.5000000 0.5202248 0.1320270), wk = 0.0035211 k( 127) = ( 0.5000000 0.5176967 0.1155237), wk = 0.0035211 k( 128) = ( 0.5000000 0.5151686 0.0990203), wk = 0.0035211 k( 129) = ( 0.5000000 0.5126405 0.0825169), wk = 0.0035211 k( 130) = ( 0.5000000 0.5101124 0.0660135), wk = 0.0035211 k( 131) = ( 0.5000000 0.5075843 0.0495101), wk = 0.0035211 k( 132) = ( 0.5000000 0.5050562 0.0330068), wk = 0.0035211 k( 133) = ( 0.5000000 0.5025281 0.0165034), wk = 0.0035211 k( 134) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 135) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 136) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0035211 k( 137) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0035211 k( 138) = ( 0.4516129 0.5000000 -0.0000000), wk = 0.0035211 k( 139) = ( 0.4354839 0.5000000 -0.0000000), wk = 0.0035211 k( 140) = ( 0.4193548 0.5000000 -0.0000000), wk = 0.0035211 k( 141) = ( 0.4032258 0.5000000 0.0000000), wk = 0.0035211 k( 142) = ( 0.3870968 0.5000000 0.0000000), wk = 0.0035211 k( 143) = ( 0.3709677 0.5000000 0.0000000), wk = 0.0035211 k( 144) = ( 0.3548387 0.5000000 0.0000000), wk = 0.0035211 k( 145) = ( 0.3387097 0.5000000 -0.0000000), wk = 0.0035211 k( 146) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0035211 k( 147) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0035211 k( 148) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0035211 k( 149) = ( 0.2741936 0.5000000 -0.0000000), wk = 0.0035211 k( 150) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0035211 k( 151) = ( 0.2419355 0.5000000 0.0000000), wk = 0.0035211 k( 152) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0035211 k( 153) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0035211 k( 154) = ( 0.1935484 0.5000000 -0.0000000), wk = 0.0035211 k( 155) = ( 0.1774194 0.5000000 -0.0000000), wk = 0.0035211 k( 156) = ( 0.1612903 0.5000000 -0.0000000), wk = 0.0035211 k( 157) = ( 0.1451613 0.5000000 -0.0000000), wk = 0.0035211 k( 158) = ( 0.1290323 0.5000000 -0.0000000), wk = 0.0035211 k( 159) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0035211 k( 160) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0035211 k( 161) = ( 0.0806452 0.5000000 0.0000000), wk = 0.0035211 k( 162) = ( 0.0645161 0.5000000 -0.0000000), wk = 0.0035211 k( 163) = ( 0.0483871 0.5000000 -0.0000000), wk = 0.0035211 k( 164) = ( 0.0322581 0.5000000 -0.0000000), wk = 0.0035211 k( 165) = ( 0.0161290 0.5000000 -0.0000000), wk = 0.0035211 k( 166) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035211 k( 167) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035211 k( 168) = ( 0.0000000 0.5025281 0.0165034), wk = 0.0035211 k( 169) = ( 0.0000000 0.5050562 0.0330068), wk = 0.0035211 k( 170) = ( 0.0000000 0.5075843 0.0495101), wk = 0.0035211 k( 171) = ( 0.0000000 0.5101124 0.0660135), wk = 0.0035211 k( 172) = ( 0.0000000 0.5126405 0.0825169), wk = 0.0035211 k( 173) = ( 0.0000000 0.5151686 0.0990203), wk = 0.0035211 k( 174) = ( 0.0000000 0.5176967 0.1155237), wk = 0.0035211 k( 175) = ( 0.0000000 0.5202248 0.1320270), wk = 0.0035211 k( 176) = ( 0.0000000 0.5227529 0.1485304), wk = 0.0035211 k( 177) = ( 0.0000000 0.5252810 0.1650338), wk = 0.0035211 k( 178) = ( 0.0000000 0.5278091 0.1815372), wk = 0.0035211 k( 179) = ( 0.0000000 0.5303372 0.1980406), wk = 0.0035211 k( 180) = ( 0.0000000 0.5328653 0.2145439), wk = 0.0035211 k( 181) = ( 0.0000000 0.5353934 0.2310473), wk = 0.0035211 k( 182) = ( 0.0000000 0.5379215 0.2475507), wk = 0.0035211 k( 183) = ( 0.0000000 0.5404496 0.2640541), wk = 0.0035211 k( 184) = ( 0.0000000 0.5429777 0.2805574), wk = 0.0035211 k( 185) = ( 0.0000000 0.5455058 0.2970608), wk = 0.0035211 k( 186) = ( 0.0000000 0.5480339 0.3135642), wk = 0.0035211 k( 187) = ( 0.0000000 0.5505620 0.3300676), wk = 0.0035211 k( 188) = ( 0.0000000 0.5530901 0.3465710), wk = 0.0035211 k( 189) = ( 0.0000000 0.5556182 0.3630743), wk = 0.0035211 k( 190) = ( 0.0000000 0.5581463 0.3795777), wk = 0.0035211 k( 191) = ( 0.0000000 0.5606744 0.3960811), wk = 0.0035211 k( 192) = ( 0.0000000 0.5632025 0.4125845), wk = 0.0035211 k( 193) = ( 0.0000000 0.5657306 0.4290879), wk = 0.0035211 k( 194) = ( 0.5000000 0.4342694 0.5709121), wk = 0.0035211 k( 195) = ( 0.5000000 0.4181854 0.5682858), wk = 0.0035211 k( 196) = ( 0.5000000 0.4021013 0.5656594), wk = 0.0035211 k( 197) = ( 0.5000000 0.3860173 0.5630330), wk = 0.0035211 k( 198) = ( 0.5000000 0.3699332 0.5604066), wk = 0.0035211 k( 199) = ( 0.5000000 0.3538492 0.5577803), wk = 0.0035211 k( 200) = ( 0.5000000 0.3377651 0.5551539), wk = 0.0035211 k( 201) = ( 0.5000000 0.3216810 0.5525275), wk = 0.0035211 k( 202) = ( 0.5000000 0.3055970 0.5499011), wk = 0.0035211 k( 203) = ( 0.5000000 0.2895129 0.5472748), wk = 0.0035211 k( 204) = ( 0.5000000 0.2734289 0.5446484), wk = 0.0035211 k( 205) = ( 0.5000000 0.2573448 0.5420220), wk = 0.0035211 k( 206) = ( 0.5000000 0.2412608 0.5393956), wk = 0.0035211 k( 207) = ( 0.5000000 0.2251767 0.5367693), wk = 0.0035211 k( 208) = ( 0.5000000 0.2090927 0.5341429), wk = 0.0035211 k( 209) = ( 0.5000000 0.1930086 0.5315165), wk = 0.0035211 k( 210) = ( 0.5000000 0.1769246 0.5288901), wk = 0.0035211 k( 211) = ( 0.5000000 0.1608405 0.5262638), wk = 0.0035211 k( 212) = ( 0.5000000 0.1447565 0.5236374), wk = 0.0035211 k( 213) = ( 0.5000000 0.1286724 0.5210110), wk = 0.0035211 k( 214) = ( 0.5000000 0.1125884 0.5183846), wk = 0.0035211 k( 215) = ( 0.5000000 0.0965043 0.5157582), wk = 0.0035211 k( 216) = ( 0.5000000 0.0804203 0.5131319), wk = 0.0035211 k( 217) = ( 0.5000000 0.0643362 0.5105055), wk = 0.0035211 k( 218) = ( 0.5000000 0.0482522 0.5078791), wk = 0.0035211 k( 219) = ( 0.5000000 0.0321681 0.5052528), wk = 0.0035211 k( 220) = ( 0.5000000 0.0160840 0.5026264), wk = 0.0035211 k( 221) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 k( 222) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 k( 223) = ( 0.5000000 -0.0000000 0.4833333), wk = 0.0035211 k( 224) = ( 0.5000000 -0.0000000 0.4666667), wk = 0.0035211 k( 225) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0035211 k( 226) = ( 0.5000000 -0.0000000 0.4333333), wk = 0.0035211 k( 227) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0035211 k( 228) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0035211 k( 229) = ( 0.5000000 -0.0000000 0.3833333), wk = 0.0035211 k( 230) = ( 0.5000000 -0.0000000 0.3666667), wk = 0.0035211 k( 231) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0035211 k( 232) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0035211 k( 233) = ( 0.5000000 -0.0000000 0.3166667), wk = 0.0035211 k( 234) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0035211 k( 235) = ( 0.5000000 -0.0000000 0.2833333), wk = 0.0035211 k( 236) = ( 0.5000000 -0.0000000 0.2666667), wk = 0.0035211 k( 237) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0035211 k( 238) = ( 0.5000000 -0.0000000 0.2333333), wk = 0.0035211 k( 239) = ( 0.5000000 -0.0000000 0.2166667), wk = 0.0035211 k( 240) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0035211 k( 241) = ( 0.5000000 -0.0000000 0.1833333), wk = 0.0035211 k( 242) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0035211 k( 243) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0035211 k( 244) = ( 0.5000000 -0.0000000 0.1333333), wk = 0.0035211 k( 245) = ( 0.5000000 -0.0000000 0.1166667), wk = 0.0035211 k( 246) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0035211 k( 247) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0035211 k( 248) = ( 0.5000000 -0.0000000 0.0666667), wk = 0.0035211 k( 249) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0035211 k( 250) = ( 0.5000000 -0.0000000 0.0333333), wk = 0.0035211 k( 251) = ( 0.5000000 -0.0000000 0.0166667), wk = 0.0035211 k( 252) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035211 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 254) = ( 0.0161290 0.0000000 0.5000000), wk = 0.0035211 k( 255) = ( 0.0322581 0.0000000 0.5000000), wk = 0.0035211 k( 256) = ( 0.0483871 -0.0000000 0.5000000), wk = 0.0035211 k( 257) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0035211 k( 258) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0035211 k( 259) = ( 0.0967742 -0.0000000 0.5000000), wk = 0.0035211 k( 260) = ( 0.1129032 -0.0000000 0.5000000), wk = 0.0035211 k( 261) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0035211 k( 262) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0035211 k( 263) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0035211 k( 264) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0035211 k( 265) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0035211 k( 266) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0035211 k( 267) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0035211 k( 268) = ( 0.2419355 -0.0000000 0.5000000), wk = 0.0035211 k( 269) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0035211 k( 270) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0035211 k( 271) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0035211 k( 272) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0035211 k( 273) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0035211 k( 274) = ( 0.3387097 0.0000000 0.5000000), wk = 0.0035211 k( 275) = ( 0.3548387 -0.0000000 0.5000000), wk = 0.0035211 k( 276) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0035211 k( 277) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0035211 k( 278) = ( 0.4032258 -0.0000000 0.5000000), wk = 0.0035211 k( 279) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0035211 k( 280) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0035211 k( 281) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0035211 k( 282) = ( 0.4677419 -0.0000000 0.5000000), wk = 0.0035211 k( 283) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0035211 k( 284) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 Dense grid: 93387 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 45261 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 318, 76) NL pseudopotentials 0.43 Mb ( 159, 176) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2595) G-vector shells 0.02 Mb ( 2549) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.48 Mb ( 318, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.41 Mb ( 176, 2, 76) The potential is recalculated from file : ./ZrO2.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.7 secs Computing kpt #: 4 total cpu time spent up to now is 11.3 secs Computing kpt #: 5 total cpu time spent up to now is 14.2 secs Computing kpt #: 6 total cpu time spent up to now is 17.2 secs Computing kpt #: 7 total cpu time spent up to now is 19.7 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.6 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.5 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.4 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.3 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.2 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.1 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.0 secs Computing kpt #: 15 total cpu time spent up to now is 42.7 secs Computing kpt #: 16 total cpu time spent up to now is 44.8 secs Computing kpt #: 17 total cpu time spent up to now is 47.5 secs Computing kpt #: 18 total cpu time spent up to now is 50.2 secs Computing kpt #: 19 total cpu time spent up to now is 52.0 secs Computing kpt #: 20 total cpu time spent up to now is 53.6 secs Computing kpt #: 21 total cpu time spent up to now is 55.4 secs Computing kpt #: 22 total cpu time spent up to now is 56.9 secs Computing kpt #: 23 total cpu time spent up to now is 58.5 secs Computing kpt #: 24 total cpu time spent up to now is 60.2 secs Computing kpt #: 25 total cpu time spent up to now is 61.9 secs Computing kpt #: 26 total cpu time spent up to now is 63.7 secs Computing kpt #: 27 total cpu time spent up to now is 65.2 secs Computing kpt #: 28 total cpu time spent up to now is 66.5 secs Computing kpt #: 29 total cpu time spent up to now is 67.9 secs Computing kpt #: 30 total cpu time spent up to now is 69.2 secs Computing kpt #: 31 total cpu time spent up to now is 70.5 secs Computing kpt #: 32 total cpu time spent up to now is 71.9 secs Computing kpt #: 33 total cpu time spent up to now is 73.2 secs Computing kpt #: 34 total cpu time spent up to now is 74.5 secs Computing kpt #: 35 total cpu time spent up to now is 75.9 secs Computing kpt #: 36 total cpu time spent up to now is 77.6 secs Computing kpt #: 37 total cpu time spent up to now is 79.2 secs Computing kpt #: 38 total cpu time spent up to now is 81.1 secs Computing kpt #: 39 total cpu time spent up to now is 83.5 secs Computing kpt #: 40 total cpu time spent up to now is 85.4 secs Computing kpt #: 41 total cpu time spent up to now is 87.4 secs Computing kpt #: 42 total cpu time spent up to now is 89.1 secs Computing kpt #: 43 total cpu time spent up to now is 90.7 secs Computing kpt #: 44 total cpu time spent up to now is 92.2 secs Computing kpt #: 45 total cpu time spent up to now is 93.6 secs Computing kpt #: 46 total cpu time spent up to now is 94.9 secs Computing kpt #: 47 total cpu time spent up to now is 96.2 secs Computing kpt #: 48 total cpu time spent up to now is 97.6 secs Computing kpt #: 49 total cpu time spent up to now is 98.8 secs Computing kpt #: 50 total cpu time spent up to now is 100.1 secs Computing kpt #: 51 total cpu time spent up to now is 101.5 secs Computing kpt #: 52 total cpu time spent up to now is 102.8 secs Computing kpt #: 53 total cpu time spent up to now is 104.1 secs Computing kpt #: 54 total cpu time spent up to now is 105.4 secs Computing kpt #: 55 total cpu time spent up to now is 106.7 secs Computing kpt #: 56 total cpu time spent up to now is 108.0 secs Computing kpt #: 57 total cpu time spent up to now is 109.2 secs Computing kpt #: 58 total cpu time spent up to now is 110.5 secs Computing kpt #: 59 total cpu time spent up to now is 111.8 secs Computing kpt #: 60 total cpu time spent up to now is 113.1 secs Computing kpt #: 61 total cpu time spent up to now is 114.3 secs Computing kpt #: 62 total cpu time spent up to now is 115.6 secs Computing kpt #: 63 total cpu time spent up to now is 117.0 secs Computing kpt #: 64 total cpu time spent up to now is 118.9 secs Computing kpt #: 65 total cpu time spent up to now is 120.5 secs Computing kpt #: 66 total cpu time spent up to now is 122.0 secs Computing kpt #: 67 total cpu time spent up to now is 123.5 secs Computing kpt #: 68 total cpu time spent up to now is 125.0 secs Computing kpt #: 69 total cpu time spent up to now is 126.5 secs Computing kpt #: 70 total cpu time spent up to now is 127.8 secs Computing kpt #: 71 total cpu time spent up to now is 129.2 secs Computing kpt #: 72 total cpu time spent up to now is 130.9 secs Computing kpt #: 73 total cpu time spent up to now is 132.3 secs Computing kpt #: 74 total cpu time spent up to now is 133.8 secs Computing kpt #: 75 total cpu time spent up to now is 135.2 secs Computing kpt #: 76 total cpu time spent up to now is 136.6 secs Computing kpt #: 77 total cpu time spent up to now is 137.9 secs Computing kpt #: 78 total cpu time spent up to now is 139.2 secs Computing kpt #: 79 total cpu time spent up to now is 140.5 secs Computing kpt #: 80 total cpu time spent up to now is 141.8 secs Computing kpt #: 81 total cpu time spent up to now is 143.1 secs Computing kpt #: 82 total cpu time spent up to now is 144.3 secs Computing kpt #: 83 total cpu time spent up to now is 145.6 secs Computing kpt #: 84 total cpu time spent up to now is 146.9 secs Computing kpt #: 85 total cpu time spent up to now is 148.1 secs Computing kpt #: 86 total cpu time spent up to now is 149.4 secs Computing kpt #: 87 total cpu time spent up to now is 150.6 secs Computing kpt #: 88 total cpu time spent up to now is 151.9 secs Computing kpt #: 89 total cpu time spent up to now is 153.2 secs Computing kpt #: 90 total cpu time spent up to now is 154.5 secs Computing kpt #: 91 total cpu time spent up to now is 155.7 secs Computing kpt #: 92 total cpu time spent up to now is 157.1 secs Computing kpt #: 93 total cpu time spent up to now is 158.5 secs Computing kpt #: 94 total cpu time spent up to now is 159.9 secs Computing kpt #: 95 total cpu time spent up to now is 161.3 secs Computing kpt #: 96 total cpu time spent up to now is 162.7 secs Computing kpt #: 97 total cpu time spent up to now is 164.1 secs Computing kpt #: 98 total cpu time spent up to now is 165.5 secs Computing kpt #: 99 total cpu time spent up to now is 166.8 secs Computing kpt #: 100 total cpu time spent up to now is 168.2 secs Computing kpt #: 101 total cpu time spent up to now is 170.0 secs Computing kpt #: 102 total cpu time spent up to now is 171.4 secs Computing kpt #: 103 total cpu time spent up to now is 172.7 secs Computing kpt #: 104 total cpu time spent up to now is 174.0 secs Computing kpt #: 105 total cpu time spent up to now is 175.3 secs Computing kpt #: 106 total cpu time spent up to now is 176.7 secs Computing kpt #: 107 total cpu time spent up to now is 178.1 secs Computing kpt #: 108 total cpu time spent up to now is 179.5 secs Computing kpt #: 109 total cpu time spent up to now is 180.9 secs Computing kpt #: 110 total cpu time spent up to now is 182.5 secs Computing kpt #: 111 total cpu time spent up to now is 184.0 secs Computing kpt #: 112 total cpu time spent up to now is 185.4 secs Computing kpt #: 113 total cpu time spent up to now is 187.1 secs Computing kpt #: 114 total cpu time spent up to now is 188.6 secs Computing kpt #: 115 total cpu time spent up to now is 190.0 secs Computing kpt #: 116 total cpu time spent up to now is 192.1 secs Computing kpt #: 117 total cpu time spent up to now is 193.5 secs Computing kpt #: 118 total cpu time spent up to now is 195.0 secs Computing kpt #: 119 total cpu time spent up to now is 196.4 secs Computing kpt #: 120 total cpu time spent up to now is 197.9 secs Computing kpt #: 121 total cpu time spent up to now is 199.2 secs Computing kpt #: 122 total cpu time spent up to now is 200.6 secs Computing kpt #: 123 total cpu time spent up to now is 201.9 secs Computing kpt #: 124 total cpu time spent up to now is 203.3 secs Computing kpt #: 125 total cpu time spent up to now is 204.6 secs Computing kpt #: 126 total cpu time spent up to now is 205.9 secs Computing kpt #: 127 total cpu time spent up to now is 207.2 secs Computing kpt #: 128 total cpu time spent up to now is 208.5 secs Computing kpt #: 129 total cpu time spent up to now is 209.7 secs Computing kpt #: 130 total cpu time spent up to now is 211.0 secs Computing kpt #: 131 total cpu time spent up to now is 212.3 secs Computing kpt #: 132 total cpu time spent up to now is 213.5 secs Computing kpt #: 133 total cpu time spent up to now is 214.8 secs Computing kpt #: 134 total cpu time spent up to now is 216.0 secs Computing kpt #: 135 total cpu time spent up to now is 217.3 secs Computing kpt #: 136 total cpu time spent up to now is 218.5 secs Computing kpt #: 137 total cpu time spent up to now is 219.8 secs Computing kpt #: 138 total cpu time spent up to now is 221.1 secs Computing kpt #: 139 total cpu time spent up to now is 222.3 secs Computing kpt #: 140 total cpu time spent up to now is 223.7 secs Computing kpt #: 141 total cpu time spent up to now is 224.9 secs Computing kpt #: 142 total cpu time spent up to now is 226.2 secs Computing kpt #: 143 total cpu time spent up to now is 227.5 secs Computing kpt #: 144 total cpu time spent up to now is 228.7 secs Computing kpt #: 145 total cpu time spent up to now is 230.0 secs Computing kpt #: 146 total cpu time spent up to now is 231.3 secs Computing kpt #: 147 total cpu time spent up to now is 232.5 secs Computing kpt #: 148 total cpu time spent up to now is 233.8 secs Computing kpt #: 149 total cpu time spent up to now is 235.0 secs Computing kpt #: 150 total cpu time spent up to now is 236.3 secs Computing kpt #: 151 total cpu time spent up to now is 237.5 secs Computing kpt #: 152 total cpu time spent up to now is 238.7 secs Computing kpt #: 153 total cpu time spent up to now is 240.0 secs Computing kpt #: 154 total cpu time spent up to now is 241.2 secs Computing kpt #: 155 total cpu time spent up to now is 242.5 secs Computing kpt #: 156 total cpu time spent up to now is 243.7 secs Computing kpt #: 157 total cpu time spent up to now is 245.0 secs Computing kpt #: 158 total cpu time spent up to now is 246.2 secs Computing kpt #: 159 total cpu time spent up to now is 247.5 secs Computing kpt #: 160 total cpu time spent up to now is 248.8 secs Computing kpt #: 161 total cpu time spent up to now is 250.0 secs Computing kpt #: 162 total cpu time spent up to now is 251.3 secs Computing kpt #: 163 total cpu time spent up to now is 252.6 secs Computing kpt #: 164 total cpu time spent up to now is 253.8 secs Computing kpt #: 165 total cpu time spent up to now is 255.3 secs Computing kpt #: 166 total cpu time spent up to now is 256.6 secs Computing kpt #: 167 total cpu time spent up to now is 257.9 secs Computing kpt #: 168 total cpu time spent up to now is 259.3 secs Computing kpt #: 169 total cpu time spent up to now is 260.7 secs Computing kpt #: 170 total cpu time spent up to now is 262.1 secs Computing kpt #: 171 total cpu time spent up to now is 263.3 secs Computing kpt #: 172 total cpu time spent up to now is 264.6 secs Computing kpt #: 173 total cpu time spent up to now is 266.0 secs Computing kpt #: 174 total cpu time spent up to now is 267.2 secs Computing kpt #: 175 total cpu time spent up to now is 268.5 secs Computing kpt #: 176 total cpu time spent up to now is 269.8 secs Computing kpt #: 177 total cpu time spent up to now is 271.2 secs Computing kpt #: 178 total cpu time spent up to now is 272.6 secs Computing kpt #: 179 total cpu time spent up to now is 274.2 secs Computing kpt #: 180 total cpu time spent up to now is 275.6 secs Computing kpt #: 181 total cpu time spent up to now is 277.0 secs Computing kpt #: 182 total cpu time spent up to now is 278.4 secs Computing kpt #: 183 total cpu time spent up to now is 280.0 secs Computing kpt #: 184 total cpu time spent up to now is 281.5 secs Computing kpt #: 185 total cpu time spent up to now is 282.9 secs Computing kpt #: 186 total cpu time spent up to now is 284.2 secs Computing kpt #: 187 total cpu time spent up to now is 285.5 secs Computing kpt #: 188 total cpu time spent up to now is 286.8 secs Computing kpt #: 189 total cpu time spent up to now is 288.0 secs Computing kpt #: 190 total cpu time spent up to now is 289.3 secs Computing kpt #: 191 total cpu time spent up to now is 290.6 secs Computing kpt #: 192 total cpu time spent up to now is 291.9 secs Computing kpt #: 193 total cpu time spent up to now is 293.1 secs Computing kpt #: 194 total cpu time spent up to now is 294.4 secs Computing kpt #: 195 total cpu time spent up to now is 295.9 secs Computing kpt #: 196 total cpu time spent up to now is 297.3 secs Computing kpt #: 197 total cpu time spent up to now is 298.9 secs Computing kpt #: 198 total cpu time spent up to now is 300.3 secs Computing kpt #: 199 total cpu time spent up to now is 301.9 secs Computing kpt #: 200 total cpu time spent up to now is 303.3 secs Computing kpt #: 201 total cpu time spent up to now is 304.8 secs Computing kpt #: 202 total cpu time spent up to now is 306.3 secs Computing kpt #: 203 total cpu time spent up to now is 308.7 secs Computing kpt #: 204 total cpu time spent up to now is 310.2 secs Computing kpt #: 205 total cpu time spent up to now is 311.7 secs Computing kpt #: 206 total cpu time spent up to now is 313.1 secs Computing kpt #: 207 total cpu time spent up to now is 314.8 secs Computing kpt #: 208 total cpu time spent up to now is 316.3 secs Computing kpt #: 209 total cpu time spent up to now is 317.6 secs Computing kpt #: 210 total cpu time spent up to now is 318.9 secs Computing kpt #: 211 total cpu time spent up to now is 320.2 secs Computing kpt #: 212 total cpu time spent up to now is 321.5 secs Computing kpt #: 213 total cpu time spent up to now is 322.8 secs Computing kpt #: 214 total cpu time spent up to now is 324.0 secs Computing kpt #: 215 total cpu time spent up to now is 325.3 secs Computing kpt #: 216 total cpu time spent up to now is 326.6 secs Computing kpt #: 217 total cpu time spent up to now is 327.9 secs Computing kpt #: 218 total cpu time spent up to now is 329.1 secs Computing kpt #: 219 total cpu time spent up to now is 330.3 secs Computing kpt #: 220 total cpu time spent up to now is 331.6 secs Computing kpt #: 221 total cpu time spent up to now is 332.8 secs Computing kpt #: 222 total cpu time spent up to now is 334.1 secs Computing kpt #: 223 total cpu time spent up to now is 335.3 secs Computing kpt #: 224 total cpu time spent up to now is 336.6 secs Computing kpt #: 225 total cpu time spent up to now is 337.9 secs Computing kpt #: 226 total cpu time spent up to now is 339.1 secs Computing kpt #: 227 total cpu time spent up to now is 340.4 secs Computing kpt #: 228 total cpu time spent up to now is 341.6 secs Computing kpt #: 229 total cpu time spent up to now is 342.9 secs Computing kpt #: 230 total cpu time spent up to now is 344.2 secs Computing kpt #: 231 total cpu time spent up to now is 345.5 secs Computing kpt #: 232 total cpu time spent up to now is 346.8 secs Computing kpt #: 233 total cpu time spent up to now is 348.1 secs Computing kpt #: 234 total cpu time spent up to now is 349.3 secs Computing kpt #: 235 total cpu time spent up to now is 350.6 secs Computing kpt #: 236 total cpu time spent up to now is 351.9 secs Computing kpt #: 237 total cpu time spent up to now is 353.2 secs Computing kpt #: 238 total cpu time spent up to now is 354.5 secs Computing kpt #: 239 total cpu time spent up to now is 355.8 secs Computing kpt #: 240 total cpu time spent up to now is 357.1 secs Computing kpt #: 241 total cpu time spent up to now is 358.4 secs Computing kpt #: 242 total cpu time spent up to now is 359.8 secs Computing kpt #: 243 total cpu time spent up to now is 361.2 secs Computing kpt #: 244 total cpu time spent up to now is 362.9 secs Computing kpt #: 245 total cpu time spent up to now is 364.2 secs Computing kpt #: 246 total cpu time spent up to now is 365.6 secs Computing kpt #: 247 total cpu time spent up to now is 367.0 secs Computing kpt #: 248 total cpu time spent up to now is 368.4 secs Computing kpt #: 249 total cpu time spent up to now is 369.8 secs Computing kpt #: 250 total cpu time spent up to now is 371.0 secs Computing kpt #: 251 total cpu time spent up to now is 372.4 secs Computing kpt #: 252 total cpu time spent up to now is 373.7 secs Computing kpt #: 253 total cpu time spent up to now is 375.0 secs Computing kpt #: 254 total cpu time spent up to now is 376.3 secs Computing kpt #: 255 total cpu time spent up to now is 377.6 secs Computing kpt #: 256 total cpu time spent up to now is 378.8 secs Computing kpt #: 257 total cpu time spent up to now is 380.1 secs Computing kpt #: 258 total cpu time spent up to now is 381.4 secs Computing kpt #: 259 total cpu time spent up to now is 382.7 secs Computing kpt #: 260 total cpu time spent up to now is 383.9 secs Computing kpt #: 261 total cpu time spent up to now is 385.2 secs Computing kpt #: 262 total cpu time spent up to now is 386.4 secs Computing kpt #: 263 total cpu time spent up to now is 387.7 secs Computing kpt #: 264 total cpu time spent up to now is 389.0 secs Computing kpt #: 265 total cpu time spent up to now is 390.2 secs Computing kpt #: 266 total cpu time spent up to now is 391.5 secs Computing kpt #: 267 total cpu time spent up to now is 392.8 secs Computing kpt #: 268 total cpu time spent up to now is 394.0 secs Computing kpt #: 269 total cpu time spent up to now is 395.3 secs Computing kpt #: 270 total cpu time spent up to now is 396.6 secs Computing kpt #: 271 total cpu time spent up to now is 397.8 secs Computing kpt #: 272 total cpu time spent up to now is 399.1 secs Computing kpt #: 273 total cpu time spent up to now is 400.3 secs Computing kpt #: 274 total cpu time spent up to now is 401.6 secs Computing kpt #: 275 total cpu time spent up to now is 402.8 secs Computing kpt #: 276 total cpu time spent up to now is 404.1 secs Computing kpt #: 277 total cpu time spent up to now is 405.2 secs Computing kpt #: 278 total cpu time spent up to now is 406.3 secs Computing kpt #: 279 total cpu time spent up to now is 407.5 secs Computing kpt #: 280 total cpu time spent up to now is 408.7 secs Computing kpt #: 281 total cpu time spent up to now is 409.9 secs Computing kpt #: 282 total cpu time spent up to now is 411.2 secs Computing kpt #: 283 total cpu time spent up to now is 412.4 secs Computing kpt #: 284 total cpu time spent up to now is 413.6 secs ethr = 1.56E-08, avg # of iterations = 34.9 total cpu time spent up to now is 413.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5667 PWs) bands (ev): -10.9525 -10.9525 -9.8976 -9.8976 -9.8155 -9.8155 -9.3939 -9.3939 -9.2222 -9.2222 -9.1752 -9.1752 -9.1521 -9.1521 -9.0265 -9.0265 1.7063 1.7063 1.8271 1.8271 2.2224 2.2224 2.5248 2.5248 2.5502 2.5502 3.3936 3.3936 3.4745 3.4745 3.5215 3.5215 3.5480 3.5480 4.0979 4.0979 4.1281 4.1281 4.2805 4.2805 4.7514 4.7514 4.8600 4.8600 5.1722 5.1722 5.3044 5.3044 5.4283 5.4283 5.7088 5.7088 6.0330 6.0330 6.1973 6.1973 6.4104 6.4104 6.5035 6.5035 6.7099 6.7099 7.0815 7.0815 10.5028 10.5028 10.8986 10.8986 11.3355 11.3355 11.8212 11.8212 12.0616 12.0616 12.2537 12.2537 k = 0.0000 0.0000 0.0165 ( 5663 PWs) bands (ev): -10.9518 -10.9518 -9.8982 -9.8982 -9.8151 -9.8151 -9.3941 -9.3941 -9.2225 -9.2225 -9.1758 -9.1758 -9.1516 -9.1516 -9.0266 -9.0266 1.7074 1.7074 1.8275 1.8275 2.2235 2.2235 2.5262 2.5262 2.5506 2.5506 3.3938 3.3938 3.4739 3.4739 3.5223 3.5223 3.5477 3.5477 4.1010 4.1010 4.1245 4.1245 4.2807 4.2807 4.7503 4.7503 4.8611 4.8611 5.1726 5.1726 5.3022 5.3022 5.4272 5.4272 5.7066 5.7066 6.0325 6.0325 6.1981 6.1981 6.4076 6.4076 6.5039 6.5039 6.7096 6.7096 7.0808 7.0808 10.5049 10.5049 10.8979 10.8979 11.3341 11.3341 11.8225 11.8225 12.0621 12.0621 12.2542 12.2543 k = 0.0000 0.0000 0.0331 ( 5667 PWs) bands (ev): -10.9497 -10.9497 -9.9001 -9.9001 -9.8142 -9.8142 -9.3947 -9.3947 -9.2233 -9.2233 -9.1774 -9.1774 -9.1501 -9.1501 -9.0269 -9.0269 1.7106 1.7106 1.8286 1.8286 2.2269 2.2269 2.5306 2.5306 2.5517 2.5517 3.3940 3.3940 3.4725 3.4725 3.5247 3.5247 3.5470 3.5470 4.1086 4.1086 4.1156 4.1156 4.2813 4.2813 4.7471 4.7471 4.8642 4.8642 5.1736 5.1736 5.2957 5.2957 5.4237 5.4237 5.7001 5.7001 6.0309 6.0309 6.2003 6.2003 6.3995 6.3995 6.5051 6.5051 6.7087 6.7087 7.0786 7.0786 10.5110 10.5110 10.8956 10.8956 11.3300 11.3300 11.8263 11.8263 12.0634 12.0634 12.2558 12.2558 k = 0.0000 0.0000 0.0496 ( 5666 PWs) bands (ev): -10.9461 -10.9461 -9.9033 -9.9033 -9.8126 -9.8126 -9.3958 -9.3958 -9.2246 -9.2246 -9.1798 -9.1798 -9.1480 -9.1480 -9.0273 -9.0273 1.7159 1.7159 1.8303 1.8303 2.2325 2.2325 2.5378 2.5378 2.5537 2.5537 3.3935 3.3935 3.4715 3.4715 3.5283 3.5283 3.5460 3.5460 4.0954 4.0954 4.1267 4.1267 4.2819 4.2819 4.7420 4.7420 4.8687 4.8687 5.1747 5.1747 5.2855 5.2855 5.4181 5.4181 5.6892 5.6892 6.0284 6.0284 6.2038 6.2038 6.3859 6.3859 6.5070 6.5070 6.7075 6.7075 7.0749 7.0749 10.5211 10.5211 10.8918 10.8918 11.3233 11.3233 11.8323 11.8323 12.0658 12.0658 12.2584 12.2584 k = 0.0000 0.0000 0.0661 ( 5657 PWs) bands (ev): -10.9411 -10.9411 -9.9077 -9.9077 -9.8104 -9.8104 -9.3972 -9.3972 -9.2264 -9.2264 -9.1826 -9.1826 -9.1455 -9.1455 -9.0279 -9.0279 1.7234 1.7234 1.8329 1.8329 2.2403 2.2403 2.5479 2.5479 2.5566 2.5566 3.3910 3.3910 3.4723 3.4723 3.5326 3.5326 3.5457 3.5457 4.0727 4.0727 4.1468 4.1468 4.2822 4.2822 4.7356 4.7356 4.8741 4.8741 5.1748 5.1748 5.2730 5.2730 5.4103 5.4103 5.6742 5.6742 6.0251 6.0251 6.2085 6.2085 6.3669 6.3669 6.5097 6.5097 6.7059 6.7059 7.0696 7.0696 10.5350 10.5350 10.8866 10.8866 11.3142 11.3142 11.8399 11.8399 12.0693 12.0693 12.2618 12.2618 k = 0.0000 0.0000 0.0827 ( 5656 PWs) bands (ev): -10.9347 -10.9347 -9.9133 -9.9133 -9.8075 -9.8075 -9.3991 -9.3991 -9.2286 -9.2286 -9.1859 -9.1859 -9.1428 -9.1428 -9.0287 -9.0287 1.7329 1.7329 1.8361 1.8361 2.2503 2.2503 2.5590 2.5590 2.5621 2.5621 3.3856 3.3856 3.4764 3.4764 3.5356 3.5356 3.5480 3.5480 4.0450 4.0450 4.1711 4.1711 4.2820 4.2820 4.7283 4.7283 4.8793 4.8793 5.1716 5.1716 5.2605 5.2605 5.4006 5.4006 5.6552 5.6552 6.0214 6.0214 6.2141 6.2141 6.3427 6.3427 6.5131 6.5131 6.7041 6.7041 7.0626 7.0626 10.5525 10.5525 10.8802 10.8802 11.3031 11.3031 11.8486 11.8486 12.0741 12.0741 12.2660 12.2660 k = 0.0000 0.0000 0.0992 ( 5650 PWs) bands (ev): -10.9268 -10.9268 -9.9202 -9.9202 -9.8040 -9.8040 -9.4014 -9.4014 -9.2312 -9.2312 -9.1894 -9.1894 -9.1399 -9.1399 -9.0297 -9.0297 1.7444 1.7444 1.8401 1.8401 2.2624 2.2624 2.5639 2.5639 2.5772 2.5772 3.3771 3.3771 3.4840 3.4840 3.5361 3.5361 3.5544 3.5544 4.0134 4.0134 4.1983 4.1983 4.2812 4.2812 4.7209 4.7209 4.8836 4.8836 5.1620 5.1620 5.2513 5.2513 5.3890 5.3890 5.6323 5.6323 6.0173 6.0173 6.2204 6.2204 6.3136 6.3136 6.5172 6.5172 6.7023 6.7023 7.0537 7.0537 10.5735 10.5735 10.8727 10.8727 11.2901 11.2901 11.8576 11.8576 12.0806 12.0806 12.2708 12.2708 k = 0.0000 0.0000 0.1158 ( 5646 PWs) bands (ev): -10.9177 -10.9177 -9.9285 -9.9285 -9.8000 -9.8000 -9.4042 -9.4042 -9.2340 -9.2340 -9.1930 -9.1930 -9.1370 -9.1370 -9.0309 -9.0309 1.7578 1.7578 1.8448 1.8448 2.2767 2.2767 2.5690 2.5690 2.5958 2.5958 3.3662 3.3662 3.4941 3.4941 3.5362 3.5362 3.5636 3.5636 3.9786 3.9786 4.2271 4.2271 4.2797 4.2797 4.7144 4.7144 4.8861 4.8861 5.1441 5.1441 5.2477 5.2477 5.3756 5.3756 5.6060 5.6060 6.0134 6.0134 6.2268 6.2268 6.2802 6.2802 6.5217 6.5217 6.7004 6.7004 7.0429 7.0429 10.5976 10.5976 10.8642 10.8642 11.2755 11.2755 11.8663 11.8663 12.0890 12.0890 12.2759 12.2759 k = 0.0000 0.0000 0.1323 ( 5651 PWs) bands (ev): -10.9071 -10.9071 -9.9380 -9.9380 -9.7953 -9.7953 -9.4075 -9.4075 -9.2370 -9.2370 -9.1969 -9.1969 -9.1341 -9.1341 -9.0323 -9.0323 1.7730 1.7730 1.8503 1.8503 2.2930 2.2930 2.5747 2.5747 2.6172 2.6172 3.3535 3.3535 3.5042 3.5042 3.5390 3.5390 3.5747 3.5747 3.9412 3.9412 4.2556 4.2556 4.2779 4.2779 4.7100 4.7100 4.8858 4.8858 5.1188 5.1188 5.2491 5.2491 5.3604 5.3604 5.5766 5.5766 6.0097 6.0097 6.2279 6.2279 6.2479 6.2479 6.5268 6.5268 6.6985 6.6985 7.0299 7.0299 10.6245 10.6245 10.8551 10.8551 11.2595 11.2595 11.8737 11.8737 12.0995 12.0995 12.2813 12.2813 k = 0.0000 0.0000 0.1488 ( 5655 PWs) bands (ev): -10.8952 -10.8952 -9.9487 -9.9487 -9.7901 -9.7901 -9.4112 -9.4112 -9.2401 -9.2401 -9.2008 -9.2008 -9.1312 -9.1312 -9.0338 -9.0338 1.7899 1.7899 1.8566 1.8566 2.3112 2.3112 2.5810 2.5810 2.6413 2.6413 3.3399 3.3399 3.5097 3.5097 3.5484 3.5484 3.5875 3.5875 3.9020 3.9020 4.2722 4.2722 4.2856 4.2856 4.7091 4.7091 4.8821 4.8821 5.0883 5.0883 5.2537 5.2537 5.3433 5.3433 5.5448 5.5448 6.0065 6.0065 6.1949 6.1949 6.2463 6.2463 6.5321 6.5321 6.6967 6.6967 7.0147 7.0147 10.6538 10.6538 10.8457 10.8457 11.2423 11.2423 11.8793 11.8793 12.1122 12.1122 12.2867 12.2867 k = 0.0000 0.0000 0.1654 ( 5655 PWs) bands (ev): -10.8821 -10.8821 -9.9608 -9.9608 -9.7843 -9.7843 -9.4154 -9.4154 -9.2432 -9.2432 -9.2048 -9.2048 -9.1283 -9.1283 -9.0355 -9.0355 1.8084 1.8084 1.8636 1.8636 2.3314 2.3314 2.5881 2.5881 2.6680 2.6680 3.3259 3.3259 3.5097 3.5097 3.5648 3.5648 3.6020 3.6020 3.8614 3.8614 4.2695 4.2695 4.3082 4.3082 4.7136 4.7136 4.8742 4.8742 5.0546 5.0546 5.2601 5.2601 5.3241 5.3241 5.5115 5.5115 6.0037 6.0037 6.1500 6.1500 6.2535 6.2535 6.5377 6.5377 6.6948 6.6948 6.9973 6.9973 10.6851 10.6851 10.8363 10.8363 11.2240 11.2240 11.8826 11.8826 12.1270 12.1270 12.2919 12.2919 k = 0.0000 0.0000 0.1819 ( 5652 PWs) bands (ev): -10.8676 -10.8676 -9.9741 -9.9741 -9.7779 -9.7779 -9.4201 -9.4201 -9.2464 -9.2464 -9.2089 -9.2089 -9.1255 -9.1255 -9.0374 -9.0374 1.8282 1.8282 1.8715 1.8715 2.3534 2.3534 2.5958 2.5958 2.6973 2.6973 3.3119 3.3119 3.5066 3.5066 3.5851 3.5851 3.6186 3.6186 3.8200 3.8200 4.2651 4.2651 4.3263 4.3263 4.7249 4.7249 4.8619 4.8619 5.0190 5.0190 5.2674 5.2674 5.3022 5.3022 5.4777 5.4777 6.0005 6.0005 6.1025 6.1025 6.2616 6.2616 6.5434 6.5434 6.6929 6.6929 6.9775 6.9775 10.7174 10.7174 10.8277 10.8277 11.2049 11.2049 11.8832 11.8832 12.1438 12.1438 12.2970 12.2971 k = 0.0000 0.0000 0.1984 ( 5648 PWs) bands (ev): -10.8520 -10.8520 -9.9888 -9.9888 -9.7710 -9.7710 -9.4253 -9.4253 -9.2495 -9.2495 -9.2129 -9.2129 -9.1227 -9.1227 -9.0394 -9.0394 1.8494 1.8494 1.8801 1.8801 2.3771 2.3771 2.6042 2.6042 2.7289 2.7289 3.2982 3.2982 3.5015 3.5015 3.6068 3.6068 3.6377 3.6377 3.7786 3.7786 4.2598 4.2598 4.3379 4.3379 4.7440 4.7440 4.8447 4.8447 4.9824 4.9824 5.2726 5.2726 5.2795 5.2795 5.4448 5.4448 5.9920 5.9920 6.0584 6.0584 6.2700 6.2700 6.5490 6.5490 6.6907 6.6907 6.9554 6.9554 10.7489 10.7489 10.8218 10.8218 11.1850 11.1850 11.8810 11.8810 12.1622 12.1622 12.3020 12.3020 k = 0.0000 0.0000 0.2150 ( 5658 PWs) bands (ev): -10.8351 -10.8351 -10.0046 -10.0046 -9.7637 -9.7637 -9.4310 -9.4310 -9.2524 -9.2524 -9.2170 -9.2170 -9.1201 -9.1201 -9.0416 -9.0416 1.8715 1.8715 1.8895 1.8895 2.4024 2.4024 2.6133 2.6133 2.7628 2.7628 3.2849 3.2849 3.4948 3.4948 3.6283 3.6283 3.6599 3.6599 3.7378 3.7378 4.2536 4.2536 4.3429 4.3429 4.7703 4.7703 4.8227 4.8227 4.9462 4.9462 5.2457 5.2457 5.2850 5.2850 5.4142 5.4142 5.9626 5.9626 6.0336 6.0336 6.2786 6.2786 6.5544 6.5544 6.6883 6.6883 6.9310 6.9310 10.7727 10.7727 10.8254 10.8254 11.1645 11.1645 11.8759 11.8759 12.1815 12.1815 12.3071 12.3071 k = 0.0000 0.0000 0.2315 ( 5649 PWs) bands (ev): -10.8170 -10.8170 -10.0217 -10.0217 -9.7558 -9.7558 -9.4371 -9.4371 -9.2552 -9.2552 -9.2211 -9.2211 -9.1175 -9.1175 -9.0439 -9.0439 1.8941 1.8941 1.9000 1.9000 2.4291 2.4291 2.6230 2.6230 2.7987 2.7987 3.2723 3.2723 3.4862 3.4862 3.6492 3.6492 3.6836 3.6836 3.6997 3.6997 4.2466 4.2466 4.3424 4.3424 4.7933 4.7933 4.8036 4.8036 4.9128 4.9128 5.2107 5.2107 5.2943 5.2943 5.3871 5.3871 5.9115 5.9115 6.0294 6.0294 6.2873 6.2873 6.5596 6.5596 6.6855 6.6855 6.9043 6.9043 10.7789 10.7789 10.8483 10.8483 11.1434 11.1434 11.8680 11.8680 12.2010 12.2010 12.3128 12.3128 k = 0.0000 0.0000 0.2480 ( 5646 PWs) bands (ev): -10.7979 -10.7979 -10.0400 -10.0400 -9.7475 -9.7475 -9.4438 -9.4438 -9.2578 -9.2578 -9.2250 -9.2250 -9.1149 -9.1149 -9.0463 -9.0463 1.9100 1.9100 1.9184 1.9184 2.4571 2.4571 2.6335 2.6335 2.8365 2.8365 3.2605 3.2605 3.4749 3.4749 3.6598 3.6598 3.6703 3.6703 3.7127 3.7127 4.2387 4.2387 4.3380 4.3380 4.7633 4.7633 4.8258 4.8258 4.8925 4.8925 5.1707 5.1707 5.3046 5.3046 5.3638 5.3638 5.8521 5.8521 6.0324 6.0324 6.2961 6.2961 6.5645 6.5645 6.6822 6.6822 6.8756 6.8756 10.7753 10.7753 10.8825 10.8825 11.1219 11.1219 11.8572 11.8572 12.2198 12.2198 12.3197 12.3197 k = 0.0000 0.0000 0.2646 ( 5653 PWs) bands (ev): -10.7777 -10.7777 -10.0594 -10.0594 -9.7387 -9.7387 -9.4509 -9.4509 -9.2602 -9.2602 -9.2289 -9.2289 -9.1125 -9.1125 -9.0487 -9.0487 1.9218 1.9218 1.9419 1.9419 2.4863 2.4863 2.6447 2.6447 2.8757 2.8757 3.2498 3.2498 3.4600 3.4600 3.6272 3.6272 3.6904 3.6904 3.7396 3.7396 4.2298 4.2298 4.3320 4.3320 4.7272 4.7272 4.8158 4.8158 4.9109 4.9109 5.1267 5.1267 5.3160 5.3160 5.3442 5.3442 5.7889 5.7889 6.0383 6.0383 6.3050 6.3050 6.5691 6.5691 6.6781 6.6781 6.8450 6.8450 10.7696 10.7696 10.9203 10.9203 11.1002 11.1002 11.8438 11.8438 12.2370 12.2370 12.3287 12.3287 k = 0.0000 0.0000 0.2811 ( 5654 PWs) bands (ev): -10.7565 -10.7565 -10.0800 -10.0800 -9.7295 -9.7295 -9.4585 -9.4585 -9.2624 -9.2624 -9.2328 -9.2328 -9.1101 -9.1101 -9.0513 -9.0513 1.9342 1.9342 1.9654 1.9654 2.5165 2.5165 2.6567 2.6567 2.9158 2.9158 3.2404 3.2404 3.4405 3.4405 3.5991 3.5991 3.7114 3.7114 3.7657 3.7657 4.2199 4.2199 4.3264 4.3264 4.6869 4.6869 4.7877 4.7877 4.9508 4.9508 5.0800 5.0800 5.3233 5.3233 5.3336 5.3336 5.7233 5.7233 6.0456 6.0456 6.3138 6.3138 6.5732 6.5732 6.6729 6.6729 6.8131 6.8131 10.7640 10.7640 10.9592 10.9592 11.0786 11.0786 11.8278 11.8278 12.2516 12.2516 12.3404 12.3404 k = 0.0000 0.0000 0.2976 ( 5659 PWs) bands (ev): -10.7343 -10.7343 -10.1016 -10.1016 -9.7200 -9.7200 -9.4665 -9.4665 -9.2644 -9.2644 -9.2365 -9.2365 -9.1078 -9.1078 -9.0538 -9.0538 1.9471 1.9471 1.9883 1.9883 2.5474 2.5474 2.6696 2.6696 2.9560 2.9560 3.2330 3.2330 3.4159 3.4159 3.5768 3.5768 3.7328 3.7328 3.7894 3.7894 4.2088 4.2088 4.3235 4.3235 4.6429 4.6429 4.7578 4.7578 4.9944 4.9944 5.0316 5.0316 5.3106 5.3106 5.3482 5.3482 5.6558 5.6558 6.0536 6.0536 6.3225 6.3225 6.5770 6.5770 6.6660 6.6660 6.7806 6.7806 10.7593 10.7593 10.9972 10.9972 11.0583 11.0583 11.8095 11.8095 12.2631 12.2631 12.3547 12.3547 k = 0.0000 0.0000 0.3142 ( 5663 PWs) bands (ev): -10.7112 -10.7112 -10.1242 -10.1242 -9.7101 -9.7101 -9.4749 -9.4749 -9.2660 -9.2660 -9.2400 -9.2400 -9.1056 -9.1056 -9.0564 -9.0564 1.9606 1.9606 2.0104 2.0104 2.5789 2.5789 2.6834 2.6834 2.9949 2.9949 3.2284 3.2284 3.3869 3.3869 3.5599 3.5599 3.7549 3.7549 3.8092 3.8092 4.1965 4.1965 4.3255 4.3255 4.5958 4.5958 4.7291 4.7291 4.9827 4.9827 5.0369 5.0369 5.2976 5.2976 5.3693 5.3693 5.5869 5.5869 6.0617 6.0617 6.3311 6.3311 6.5803 6.5803 6.6562 6.6562 6.7492 6.7492 10.7556 10.7556 11.0205 11.0205 11.0531 11.0531 11.7890 11.7890 12.2719 12.2719 12.3695 12.3695 k = 0.0000 0.0000 0.3307 ( 5665 PWs) bands (ev): -10.6873 -10.6873 -10.1478 -10.1478 -9.6999 -9.6999 -9.4837 -9.4837 -9.2675 -9.2675 -9.2435 -9.2435 -9.1034 -9.1034 -9.0590 -9.0590 1.9745 1.9745 2.0311 2.0311 2.6108 2.6108 2.6983 2.6983 3.0302 3.0302 3.2287 3.2287 3.3548 3.3548 3.5473 3.5473 3.7773 3.7773 3.8244 3.8244 4.1828 4.1828 4.3342 4.3342 4.5459 4.5459 4.7027 4.7027 4.9341 4.9341 5.0755 5.0755 5.2860 5.2860 5.3961 5.3961 5.5169 5.5169 6.0690 6.0690 6.3394 6.3394 6.5832 6.5832 6.6413 6.6413 6.7214 6.7214 10.7534 10.7534 11.0061 11.0061 11.0857 11.0857 11.7665 11.7665 12.2788 12.2788 12.3774 12.3774 k = 0.0000 0.0000 0.3473 ( 5669 PWs) bands (ev): -10.6626 -10.6626 -10.1722 -10.1722 -9.6894 -9.6894 -9.4929 -9.4929 -9.2686 -9.2686 -9.2467 -9.2467 -9.1013 -9.1013 -9.0616 -9.0616 1.9887 1.9887 2.0501 2.0501 2.6428 2.6428 2.7143 2.7143 3.0586 3.0586 3.2365 3.2365 3.3209 3.3209 3.5378 3.5378 3.7996 3.7996 3.8350 3.8350 4.1674 4.1674 4.3508 4.3508 4.4942 4.4942 4.6792 4.6792 4.8868 4.8868 5.1086 5.1086 5.2755 5.2755 5.4287 5.4287 5.4470 5.4470 6.0749 6.0749 6.3474 6.3474 6.5849 6.5849 6.6198 6.6198 6.7001 6.7001 10.7525 10.7525 10.9853 10.9853 11.1248 11.1248 11.7422 11.7422 12.2845 12.2845 12.3754 12.3754 k = 0.0000 0.0000 0.3638 ( 5671 PWs) bands (ev): -10.6372 -10.6372 -10.1974 -10.1974 -9.6786 -9.6786 -9.5024 -9.5024 -9.2695 -9.2695 -9.2498 -9.2498 -9.0992 -9.0992 -9.0641 -9.0641 2.0032 2.0032 2.0670 2.0670 2.6745 2.6745 2.7314 2.7314 3.0768 3.0768 3.2543 3.2543 3.2868 3.2868 3.5305 3.5305 3.8191 3.8191 3.8444 3.8444 4.1501 4.1501 4.3748 4.3748 4.4419 4.4419 4.6588 4.6588 4.8413 4.8413 5.1354 5.1354 5.2660 5.2660 5.3742 5.3742 5.4706 5.4706 6.0784 6.0784 6.3548 6.3548 6.5793 6.5793 6.5988 6.5988 6.6852 6.6852 10.7533 10.7533 10.9640 10.9640 11.1644 11.1644 11.7162 11.7162 12.2894 12.2894 12.3701 12.3701 k = 0.0000 0.0000 0.3803 ( 5663 PWs) bands (ev): -10.6111 -10.6111 -10.2233 -10.2233 -9.6677 -9.6677 -9.5123 -9.5123 -9.2702 -9.2702 -9.2528 -9.2528 -9.0971 -9.0971 -9.0667 -9.0667 2.0176 2.0176 2.0813 2.0813 2.7057 2.7057 2.7495 2.7495 3.0844 3.0844 3.2514 3.2514 3.2834 3.2834 3.5247 3.5247 3.8288 3.8288 3.8610 3.8610 4.1305 4.1305 4.3809 4.3809 4.4144 4.4144 4.6421 4.6421 4.7985 4.7985 5.1562 5.1562 5.2572 5.2572 5.3030 5.3030 5.5173 5.5173 6.0785 6.0785 6.3618 6.3618 6.5522 6.5522 6.5960 6.5960 6.6744 6.6744 10.7556 10.7556 10.9429 10.9429 11.2039 11.2039 11.6889 11.6889 12.2940 12.2940 12.3641 12.3641 k = 0.0000 0.0000 0.3969 ( 5659 PWs) bands (ev): -10.5845 -10.5845 -10.2498 -10.2498 -9.6566 -9.6566 -9.5224 -9.5224 -9.2705 -9.2705 -9.2555 -9.2555 -9.0951 -9.0951 -9.0691 -9.0691 2.0319 2.0319 2.0928 2.0928 2.7360 2.7360 2.7685 2.7685 3.0841 3.0841 3.2182 3.2182 3.3174 3.3174 3.5199 3.5199 3.8308 3.8308 3.8847 3.8847 4.1082 4.1082 4.3306 4.3306 4.4500 4.4500 4.6297 4.6297 4.7588 4.7588 5.1718 5.1718 5.2292 5.2292 5.2519 5.2519 5.5688 5.5688 6.0739 6.0739 6.3681 6.3681 6.5202 6.5202 6.5981 6.5981 6.6656 6.6656 10.7596 10.7596 10.9223 10.9223 11.2431 11.2431 11.6602 11.6602 12.2983 12.2983 12.3579 12.3579 k = 0.0000 0.0000 0.4134 ( 5659 PWs) bands (ev): -10.5574 -10.5574 -10.2769 -10.2769 -9.6453 -9.6453 -9.5329 -9.5329 -9.2706 -9.2706 -9.2580 -9.2580 -9.0931 -9.0931 -9.0715 -9.0715 2.0459 2.0459 2.1014 2.1014 2.7647 2.7647 2.7879 2.7879 3.0793 3.0793 3.1860 3.1860 3.3540 3.3540 3.5156 3.5156 3.8321 3.8321 3.9112 3.9112 4.0828 4.0828 4.2786 4.2786 4.4925 4.4925 4.6229 4.6229 4.7228 4.7228 5.1570 5.1570 5.1855 5.1855 5.2440 5.2440 5.6236 5.6236 6.0633 6.0633 6.3738 6.3738 6.4897 6.4897 6.6012 6.6012 6.6578 6.6578 10.7652 10.7652 10.9023 10.9023 11.2818 11.2818 11.6303 11.6303 12.3025 12.3025 12.3518 12.3518 k = 0.0000 0.0000 0.4299 ( 5654 PWs) bands (ev): -10.5298 -10.5298 -10.3044 -10.3044 -9.6339 -9.6339 -9.5436 -9.5436 -9.2705 -9.2705 -9.2603 -9.2603 -9.0910 -9.0910 -9.0739 -9.0739 2.0591 2.0591 2.1069 2.1069 2.7911 2.7911 2.8072 2.8072 3.0723 3.0723 3.1555 3.1555 3.3895 3.3895 3.5115 3.5115 3.8363 3.8363 3.9392 3.9392 4.0541 4.0541 4.2287 4.2287 4.5344 4.5344 4.6255 4.6255 4.6911 4.6911 5.0868 5.0868 5.1940 5.1940 5.2378 5.2378 5.6802 5.6802 6.0454 6.0454 6.3790 6.3790 6.4628 6.4628 6.6048 6.6048 6.6504 6.6504 10.7725 10.7725 10.8832 10.8832 11.3199 11.3199 11.5993 11.5993 12.3068 12.3068 12.3459 12.3459 k = 0.0000 0.0000 0.4465 ( 5652 PWs) bands (ev): -10.5020 -10.5020 -10.3323 -10.3323 -9.6225 -9.6225 -9.5545 -9.5545 -9.2701 -9.2701 -9.2624 -9.2624 -9.0890 -9.0890 -9.0762 -9.0762 2.0715 2.0715 2.1094 2.1094 2.8141 2.8141 2.8253 2.8253 3.0654 3.0654 3.1274 3.1274 3.4214 3.4214 3.5071 3.5071 3.8460 3.8460 3.9683 3.9683 4.0219 4.0219 4.1822 4.1822 4.5651 4.5651 4.6441 4.6441 4.6670 4.6670 5.0165 5.0165 5.2013 5.2013 5.2322 5.2322 5.7372 5.7372 6.0197 6.0197 6.3840 6.3840 6.4407 6.4407 6.6090 6.6090 6.6435 6.6435 10.7813 10.7813 10.8649 10.8649 11.3575 11.3575 11.5673 11.5673 12.3111 12.3111 12.3403 12.3403 k = 0.0000 0.0000 0.4630 ( 5652 PWs) bands (ev): -10.4738 -10.4738 -10.3604 -10.3604 -9.6110 -9.6110 -9.5655 -9.5655 -9.2694 -9.2694 -9.2643 -9.2643 -9.0870 -9.0870 -9.0784 -9.0784 2.0827 2.0827 2.1089 2.1089 2.8328 2.8328 2.8405 2.8405 3.0609 3.0609 3.1026 3.1026 3.4480 3.4480 3.5017 3.5017 3.8626 3.8626 3.9866 3.9866 3.9992 3.9992 4.1394 4.1394 4.5807 4.5807 4.6366 4.6366 4.6959 4.6959 4.9473 4.9473 5.2074 5.2074 5.2271 5.2271 5.7935 5.7935 5.9861 5.9861 6.3889 6.3889 6.4236 6.4236 6.6136 6.6136 6.6368 6.6368 10.7918 10.7918 10.8478 10.8478 11.3943 11.3943 11.5343 11.5343 12.3155 12.3155 12.3349 12.3349 k = 0.0000 0.0000 0.4795 ( 5650 PWs) bands (ev): -10.4455 -10.4455 -10.3887 -10.3887 -9.5995 -9.5995 -9.5767 -9.5767 -9.2685 -9.2685 -9.2659 -9.2659 -9.0849 -9.0849 -9.0806 -9.0806 2.0923 2.0923 2.1058 2.1058 2.8459 2.8459 2.8500 2.8500 3.0612 3.0612 3.0824 3.0824 3.4686 3.4686 3.4943 3.4943 3.8865 3.8865 3.9510 3.9510 4.0308 4.0308 4.1004 4.1004 4.5915 4.5915 4.6183 4.6183 4.7519 4.7519 4.8796 4.8796 5.2126 5.2126 5.2223 5.2223 5.8478 5.8478 5.9455 5.9455 6.3945 6.3945 6.4108 6.4108 6.6188 6.6188 6.6304 6.6304 10.8037 10.8037 10.8318 10.8318 11.4305 11.4305 11.5005 11.5005 12.3201 12.3201 12.3297 12.3297 k = 0.0000 0.0000 0.4961 ( 5646 PWs) bands (ev): -10.4171 -10.4171 -10.4171 -10.4171 -9.5881 -9.5881 -9.5881 -9.5881 -9.2673 -9.2673 -9.2673 -9.2673 -9.0828 -9.0828 -9.0828 -9.0828 2.1001 2.1001 2.1001 2.1001 2.8520 2.8520 2.8520 2.8520 3.0682 3.0682 3.0682 3.0682 3.4837 3.4837 3.4837 3.4837 3.9167 3.9167 3.9167 3.9167 4.0644 4.0644 4.0644 4.0644 4.6033 4.6033 4.6033 4.6033 4.8141 4.8141 4.8141 4.8141 5.2175 5.2175 5.2175 5.2175 5.8989 5.8989 5.8989 5.8989 6.4015 6.4015 6.4015 6.4015 6.6244 6.6244 6.6244 6.6244 10.8171 10.8171 10.8171 10.8171 11.4659 11.4659 11.4659 11.4659 12.3248 12.3248 12.3248 12.3248 k = 0.0000 0.0000 0.4961 ( 5646 PWs) bands (ev): -10.4171 -10.4171 -10.4171 -10.4171 -9.5881 -9.5881 -9.5881 -9.5881 -9.2673 -9.2673 -9.2673 -9.2673 -9.0828 -9.0828 -9.0828 -9.0828 2.1001 2.1001 2.1001 2.1001 2.8520 2.8520 2.8520 2.8520 3.0682 3.0682 3.0682 3.0682 3.4837 3.4837 3.4837 3.4837 3.9167 3.9167 3.9167 3.9167 4.0644 4.0644 4.0644 4.0644 4.6033 4.6033 4.6033 4.6033 4.8141 4.8141 4.8141 4.8141 5.2175 5.2175 5.2175 5.2175 5.8989 5.8989 5.8989 5.8989 6.4015 6.4015 6.4015 6.4015 6.6244 6.6244 6.6244 6.6244 10.8171 10.8171 10.8171 10.8171 11.4659 11.4659 11.4659 11.4659 12.3248 12.3248 12.3248 12.3248 k = 0.0000 0.0163 0.4961 ( 5652 PWs) bands (ev): -10.4169 -10.4169 -10.4166 -10.4166 -9.5904 -9.5904 -9.5856 -9.5856 -9.2740 -9.2740 -9.2613 -9.2613 -9.0844 -9.0844 -9.0816 -9.0816 2.0891 2.0891 2.1126 2.1126 2.8259 2.8259 2.8761 2.8761 3.0412 3.0412 3.0957 3.0957 3.4803 3.4803 3.4851 3.4851 3.8977 3.8977 3.9262 3.9262 4.0646 4.0646 4.0722 4.0722 4.5963 4.5963 4.6097 4.6097 4.8141 4.8141 4.8207 4.8207 5.2134 5.2134 5.2203 5.2203 5.8760 5.8760 5.9243 5.9243 6.3981 6.3981 6.4008 6.4008 6.6107 6.6107 6.6408 6.6408 10.8048 10.8048 10.8278 10.8278 11.4472 11.4472 11.4876 11.4876 12.2965 12.2965 12.3518 12.3518 k = 0.0000 0.0325 0.4961 ( 5656 PWs) bands (ev): -10.4160 -10.4160 -10.4153 -10.4153 -9.5924 -9.5924 -9.5829 -9.5829 -9.2813 -9.2813 -9.2558 -9.2558 -9.0864 -9.0864 -9.0808 -9.0808 2.0795 2.0795 2.1266 2.1266 2.7985 2.7985 2.8981 2.8981 3.0147 3.0147 3.1235 3.1235 3.4751 3.4751 3.4846 3.4846 3.8705 3.8705 3.9272 3.9272 4.0721 4.0721 4.0862 4.0862 4.5902 4.5902 4.6141 4.6141 4.8216 4.8216 4.8323 4.8323 5.2082 5.2082 5.2218 5.2218 5.8560 5.8560 5.9517 5.9517 6.3894 6.3894 6.3969 6.3969 6.6011 6.6011 6.6587 6.6587 10.7916 10.7916 10.8367 10.8367 11.4318 11.4318 11.5118 11.5118 12.2672 12.2672 12.3771 12.3771 k = 0.0000 0.0488 0.4961 ( 5656 PWs) bands (ev): -10.4144 -10.4144 -10.4134 -10.4134 -9.5941 -9.5941 -9.5800 -9.5800 -9.2892 -9.2892 -9.2510 -9.2510 -9.0888 -9.0888 -9.0804 -9.0804 2.0714 2.0714 2.1419 2.1419 2.7701 2.7701 2.9175 2.9175 2.9889 2.9889 3.1513 3.1513 3.4681 3.4681 3.4821 3.4821 3.8370 3.8370 3.9230 3.9230 4.0840 4.0840 4.1043 4.1043 4.5863 4.5863 4.6161 4.6161 4.8359 4.8359 4.8479 4.8479 5.2022 5.2022 5.2223 5.2223 5.8390 5.8390 5.9807 5.9807 6.3748 6.3748 6.3911 6.3911 6.5962 6.5962 6.6770 6.6770 10.7777 10.7777 10.8434 10.8434 11.4200 11.4200 11.5384 11.5384 12.2375 12.2375 12.4001 12.4001 k = 0.0000 0.0651 0.4961 ( 5653 PWs) bands (ev): -10.4120 -10.4120 -10.4108 -10.4108 -9.5956 -9.5956 -9.5769 -9.5769 -9.2976 -9.2976 -9.2467 -9.2467 -9.0915 -9.0915 -9.0804 -9.0804 2.0646 2.0646 2.1585 2.1585 2.7413 2.7413 2.9338 2.9338 2.9641 2.9641 3.1789 3.1789 3.4596 3.4596 3.4777 3.4777 3.7989 3.7989 3.9167 3.9167 4.0974 4.0974 4.1249 4.1249 4.5856 4.5856 4.6165 4.6165 4.8546 4.8546 4.8669 4.8669 5.1959 5.1959 5.2225 5.2225 5.8252 5.8252 6.0107 6.0107 6.3544 6.3544 6.3842 6.3842 6.5959 6.5959 6.6950 6.6950 10.7637 10.7637 10.8476 10.8476 11.4118 11.4118 11.5667 11.5667 12.2075 12.2075 12.4206 12.4206 k = 0.0000 0.0813 0.4961 ( 5659 PWs) bands (ev): -10.4090 -10.4090 -10.4075 -10.4075 -9.5968 -9.5968 -9.5737 -9.5737 -9.3067 -9.3067 -9.2430 -9.2430 -9.0945 -9.0945 -9.0808 -9.0808 2.0593 2.0593 2.1762 2.1762 2.7126 2.7126 2.9352 2.9352 2.9521 2.9521 3.2057 3.2057 3.4498 3.4498 3.4714 3.4714 3.7571 3.7571 3.9106 3.9106 4.1105 4.1105 4.1471 4.1471 4.5882 4.5882 4.6170 4.6170 4.8739 4.8739 4.8894 4.8894 5.1899 5.1899 5.2237 5.2237 5.8144 5.8144 6.0412 6.0412 6.3293 6.3293 6.3768 6.3768 6.5993 6.5993 6.7121 6.7121 10.7500 10.7500 10.8494 10.8494 11.4071 11.4071 11.5965 11.5965 12.1777 12.1777 12.4380 12.4380 k = 0.0000 0.0976 0.4961 ( 5659 PWs) bands (ev): -10.4052 -10.4052 -10.4035 -10.4035 -9.5977 -9.5977 -9.5704 -9.5704 -9.3162 -9.3162 -9.2399 -9.2399 -9.0978 -9.0978 -9.0817 -9.0817 2.0552 2.0552 2.1949 2.1949 2.6846 2.6846 2.9124 2.9124 2.9622 2.9622 3.2314 3.2314 3.4387 3.4387 3.4633 3.4633 3.7127 3.7127 3.9057 3.9057 4.1220 4.1220 4.1699 4.1699 4.5942 4.5942 4.6192 4.6192 4.8919 4.8919 4.9131 4.9131 5.1847 5.1847 5.2276 5.2276 5.8065 5.8065 6.0717 6.0717 6.3004 6.3004 6.3693 6.3693 6.6056 6.6056 6.7278 6.7278 10.7369 10.7369 10.8489 10.8489 11.4054 11.4054 11.6273 11.6273 12.1484 12.1484 12.4522 12.4522 k = 0.0000 0.1139 0.4961 ( 5663 PWs) bands (ev): -10.4008 -10.4008 -10.3990 -10.3990 -9.5984 -9.5984 -9.5670 -9.5670 -9.3262 -9.3262 -9.2373 -9.2373 -9.1015 -9.1015 -9.0829 -9.0829 2.0524 2.0524 2.2141 2.2141 2.6579 2.6579 2.8887 2.8887 2.9715 2.9715 3.2555 3.2555 3.4266 3.4266 3.4535 3.4535 3.6665 3.6665 3.9030 3.9030 4.1312 4.1312 4.1927 4.1927 4.6031 4.6031 4.6244 4.6244 4.9083 4.9083 4.9346 4.9346 5.1812 5.1812 5.2363 5.2363 5.8009 5.8009 6.1016 6.1016 6.2690 6.2690 6.3621 6.3621 6.6139 6.6139 6.7420 6.7420 10.7248 10.7248 10.8464 10.8464 11.4063 11.4063 11.6590 11.6590 12.1202 12.1202 12.4627 12.4627 k = 0.0000 0.1301 0.4961 ( 5665 PWs) bands (ev): -10.3959 -10.3959 -10.3938 -10.3938 -9.5987 -9.5987 -9.5635 -9.5635 -9.3367 -9.3367 -9.2352 -9.2352 -9.1054 -9.1054 -9.0846 -9.0846 2.0508 2.0508 2.2335 2.2335 2.6331 2.6331 2.8652 2.8652 2.9787 2.9787 3.2776 3.2776 3.4137 3.4137 3.4419 3.4419 3.6192 3.6192 3.9027 3.9027 4.1375 4.1375 4.2151 4.2151 4.6147 4.6147 4.6338 4.6338 4.9224 4.9224 4.9510 4.9510 5.1800 5.1800 5.2520 5.2520 5.7974 5.7974 6.1305 6.1305 6.2360 6.2360 6.3554 6.3554 6.6235 6.6235 6.7544 6.7544 10.7138 10.7138 10.8425 10.8425 11.4089 11.4089 11.6911 11.6911 12.0934 12.0934 12.4692 12.4692 k = 0.0000 0.1464 0.4961 ( 5660 PWs) bands (ev): -10.3905 -10.3905 -10.3880 -10.3880 -9.5987 -9.5987 -9.5601 -9.5601 -9.3475 -9.3475 -9.2336 -9.2336 -9.1095 -9.1095 -9.0867 -9.0867 2.0503 2.0503 2.2525 2.2525 2.6111 2.6111 2.8423 2.8423 2.9840 2.9840 3.2975 3.2975 3.4001 3.4001 3.4284 3.4284 3.5717 3.5717 3.9049 3.9049 4.1406 4.1406 4.2365 4.2365 4.6289 4.6289 4.6477 4.6477 4.9337 4.9337 4.9608 4.9608 5.1816 5.1816 5.2757 5.2757 5.7953 5.7953 6.1569 6.1569 6.2033 6.2033 6.3494 6.3494 6.6338 6.6338 6.7649 6.7649 10.7043 10.7043 10.8374 10.8374 11.4125 11.4125 11.7233 11.7233 12.0685 12.0685 12.4695 12.4695 k = 0.0000 0.1627 0.4961 ( 5653 PWs) bands (ev): -10.3848 -10.3848 -10.3815 -10.3815 -9.5984 -9.5984 -9.5566 -9.5566 -9.3586 -9.3586 -9.2325 -9.2325 -9.1138 -9.1138 -9.0892 -9.0892 2.0507 2.0507 2.2700 2.2700 2.5929 2.5929 2.8200 2.8200 2.9875 2.9875 3.3149 3.3149 3.3860 3.3860 3.4126 3.4126 3.5252 3.5252 3.9098 3.9098 4.1403 4.1403 4.2565 4.2565 4.6462 4.6462 4.6656 4.6656 4.9418 4.9418 4.9645 4.9645 5.1865 5.1865 5.3070 5.3070 5.7943 5.7943 6.1612 6.1612 6.1907 6.1907 6.3442 6.3442 6.6445 6.6445 6.7735 6.7735 10.6965 10.6965 10.8319 10.8319 11.4162 11.4162 11.7554 11.7554 12.0462 12.0462 12.4595 12.4596 k = 0.0000 0.1790 0.4961 ( 5658 PWs) bands (ev): -10.3788 -10.3788 -10.3744 -10.3744 -9.5978 -9.5978 -9.5533 -9.5533 -9.3699 -9.3699 -9.2318 -9.2318 -9.1182 -9.1182 -9.0921 -9.0921 2.0521 2.0521 2.2849 2.2849 2.5795 2.5795 2.7986 2.7986 2.9894 2.9894 3.3297 3.3297 3.3717 3.3717 3.3931 3.3931 3.4817 3.4817 3.9169 3.9169 4.1364 4.1364 4.2747 4.2747 4.6669 4.6669 4.6868 4.6868 4.9465 4.9465 4.9638 4.9638 5.1946 5.1946 5.3441 5.3441 5.7940 5.7940 6.1303 6.1303 6.2118 6.2118 6.3401 6.3401 6.6552 6.6552 6.7800 6.7800 10.6905 10.6905 10.8263 10.8263 11.4190 11.4190 11.7872 11.7872 12.0269 12.0269 12.4432 12.4432 k = 0.0000 0.1952 0.4961 ( 5656 PWs) bands (ev): -10.3726 -10.3726 -10.3666 -10.3666 -9.5969 -9.5969 -9.5499 -9.5499 -9.3814 -9.3814 -9.2316 -9.2316 -9.1227 -9.1227 -9.0954 -9.0954 2.0543 2.0543 2.2959 2.2959 2.5722 2.5722 2.7781 2.7781 2.9901 2.9901 3.3398 3.3398 3.3588 3.3588 3.3682 3.3682 3.4441 3.4441 3.9259 3.9259 4.1291 4.1291 4.2909 4.2909 4.6910 4.6910 4.7107 4.7107 4.9480 4.9480 4.9607 4.9607 5.2056 5.2056 5.3853 5.3853 5.7939 5.7939 6.0979 6.0979 6.2334 6.2334 6.3371 6.3371 6.6657 6.6657 6.7843 6.7843 10.6864 10.6864 10.8211 10.8211 11.4201 11.4201 11.8182 11.8182 12.0112 12.0112 12.4245 12.4245 k = 0.0000 0.2115 0.4961 ( 5639 PWs) bands (ev): -10.3663 -10.3663 -10.3583 -10.3583 -9.5957 -9.5957 -9.5468 -9.5468 -9.3930 -9.3930 -9.2318 -9.2318 -9.1272 -9.1272 -9.0990 -9.0990 2.0571 2.0571 2.3020 2.3020 2.5719 2.5719 2.7589 2.7589 2.9896 2.9896 3.3322 3.3322 3.3362 3.3362 3.3601 3.3601 3.4154 3.4154 3.9363 3.9363 4.1186 4.1186 4.3047 4.3047 4.7178 4.7178 4.7367 4.7367 4.9466 4.9466 4.9575 4.9575 5.2190 5.2190 5.4285 5.4285 5.7941 5.7941 6.0669 6.0669 6.2529 6.2529 6.3352 6.3352 6.6757 6.6757 6.7865 6.7865 10.6843 10.6843 10.8166 10.8166 11.4190 11.4190 11.8483 11.8483 11.9996 11.9996 12.4047 12.4047 k = 0.0000 0.2278 0.4961 ( 5637 PWs) bands (ev): -10.3600 -10.3600 -10.3495 -10.3495 -9.5942 -9.5942 -9.5437 -9.5437 -9.4045 -9.4045 -9.2325 -9.2325 -9.1317 -9.1317 -9.1029 -9.1029 2.0606 2.0606 2.3027 2.3027 2.5783 2.5783 2.7414 2.7414 2.9883 2.9883 3.2937 3.2937 3.3207 3.3207 3.3660 3.3660 3.3958 3.3958 3.9476 3.9476 4.1052 4.1052 4.3160 4.3160 4.7464 4.7464 4.7642 4.7642 4.9428 4.9428 4.9560 4.9560 5.2341 5.2341 5.4722 5.4722 5.7944 5.7944 6.0384 6.0384 6.2700 6.2700 6.3343 6.3343 6.6851 6.6851 6.7866 6.7866 10.6844 10.6844 10.8131 10.8131 11.4153 11.4153 11.8770 11.8770 11.9922 11.9922 12.3842 12.3842 k = 0.0000 0.2440 0.4961 ( 5646 PWs) bands (ev): -10.3538 -10.3538 -10.3402 -10.3402 -9.5925 -9.5925 -9.5409 -9.5409 -9.4158 -9.4158 -9.2336 -9.2336 -9.1360 -9.1360 -9.1071 -9.1071 2.0646 2.0646 2.2986 2.2986 2.5899 2.5899 2.7266 2.7266 2.9864 2.9864 3.2515 3.2515 3.3045 3.3045 3.3633 3.3633 3.3894 3.3894 3.9588 3.9588 4.0893 4.0893 4.3247 4.3247 4.7756 4.7756 4.7928 4.7928 4.9377 4.9377 4.9576 4.9576 5.2502 5.2502 5.5147 5.5147 5.7951 5.7951 6.0132 6.0132 6.2847 6.2847 6.3343 6.3343 6.6937 6.6937 6.7844 6.7844 10.6866 10.6866 10.8108 10.8108 11.4089 11.4089 11.9041 11.9041 11.9893 11.9893 12.3634 12.3634 k = 0.0000 0.2603 0.4961 ( 5644 PWs) bands (ev): -10.3478 -10.3478 -10.3304 -10.3304 -9.5905 -9.5905 -9.5382 -9.5382 -9.4268 -9.4268 -9.2353 -9.2353 -9.1401 -9.1401 -9.1116 -9.1116 2.0691 2.0691 2.2909 2.2909 2.6035 2.6035 2.7162 2.7162 2.9841 2.9841 3.2091 3.2091 3.2877 3.2877 3.3509 3.3509 3.3948 3.3948 3.9691 3.9691 4.0716 4.0716 4.3307 4.3307 4.8037 4.8037 4.8216 4.8216 4.9322 4.9322 4.9641 4.9641 5.2667 5.2667 5.5543 5.5543 5.7966 5.7966 5.9924 5.9924 6.2969 6.2969 6.3351 6.3351 6.7013 6.7013 6.7800 6.7800 10.6909 10.6909 10.8097 10.8097 11.4000 11.4000 11.9290 11.9290 11.9907 11.9907 12.3426 12.3426 k = 0.0000 0.2766 0.4961 ( 5645 PWs) bands (ev): -10.3422 -10.3422 -10.3203 -10.3203 -9.5883 -9.5883 -9.5358 -9.5358 -9.4374 -9.4374 -9.2374 -9.2374 -9.1438 -9.1438 -9.1163 -9.1163 2.0739 2.0739 2.2806 2.2806 2.6143 2.6143 2.7135 2.7135 2.9815 2.9815 3.1679 3.1679 3.2706 3.2706 3.3372 3.3372 3.4031 3.4031 3.9767 3.9767 4.0537 4.0537 4.3342 4.3342 4.8287 4.8287 4.8494 4.8494 4.9275 4.9275 4.9772 4.9772 5.2831 5.2831 5.5889 5.5889 5.7994 5.7994 5.9773 5.9773 6.3060 6.3060 6.3371 6.3371 6.7078 6.7078 6.7733 6.7733 10.6974 10.6974 10.8098 10.8098 11.3891 11.3891 11.9512 11.9512 11.9962 11.9962 12.3221 12.3221 k = 0.0000 0.2928 0.4961 ( 5654 PWs) bands (ev): -10.3371 -10.3371 -10.3099 -10.3099 -9.5860 -9.5860 -9.5337 -9.5337 -9.4474 -9.4474 -9.2401 -9.2401 -9.1472 -9.1472 -9.1213 -9.1213 2.0789 2.0789 2.2690 2.2690 2.6179 2.6179 2.7212 2.7212 2.9790 2.9790 3.1289 3.1289 3.2534 3.2534 3.3242 3.3242 3.4122 3.4122 3.9774 3.9774 4.0398 4.0398 4.3351 4.3351 4.8493 4.8493 4.8724 4.8724 4.9277 4.9277 4.9976 4.9976 5.2990 5.2990 5.6170 5.6170 5.8034 5.8034 5.9698 5.9698 6.3109 6.3109 6.3413 6.3413 6.7130 6.7130 6.7646 6.7646 10.7059 10.7059 10.8109 10.8109 11.3770 11.3770 11.9703 11.9703 12.0054 12.0054 12.3021 12.3021 k = 0.0000 0.3091 0.4961 ( 5654 PWs) bands (ev): -10.3325 -10.3325 -10.2992 -10.2992 -9.5835 -9.5835 -9.5318 -9.5318 -9.4568 -9.4568 -9.2434 -9.2434 -9.1499 -9.1499 -9.1264 -9.1264 2.0842 2.0842 2.2566 2.2566 2.6142 2.6142 2.7376 2.7376 2.9765 2.9765 3.0931 3.0931 3.2361 3.2361 3.3125 3.3125 3.4218 3.4218 3.9656 3.9656 4.0354 4.0354 4.3337 4.3337 4.8653 4.8653 4.8828 4.8828 4.9409 4.9409 5.0243 5.0243 5.3141 5.3141 5.6377 5.6377 5.8073 5.8073 5.9722 5.9722 6.3106 6.3106 6.3488 6.3488 6.7167 6.7167 6.7537 6.7537 10.7164 10.7164 10.8129 10.8129 11.3646 11.3646 11.9860 11.9860 12.0171 12.0171 12.2829 12.2829 k = 0.0000 0.3254 0.4961 ( 5652 PWs) bands (ev): -10.3287 -10.3287 -10.2884 -10.2884 -9.5809 -9.5809 -9.5302 -9.5302 -9.4652 -9.4652 -9.2473 -9.2473 -9.1522 -9.1522 -9.1316 -9.1316 2.0896 2.0896 2.2439 2.2439 2.6068 2.6068 2.7574 2.7574 2.9742 2.9742 3.0619 3.0619 3.2189 3.2189 3.3028 3.3028 3.4317 3.4317 3.9426 3.9426 4.0394 4.0394 4.3300 4.3300 4.8734 4.8734 4.8861 4.8861 4.9662 4.9662 5.0551 5.0551 5.3280 5.3280 5.6521 5.6521 5.8090 5.8090 5.9858 5.9858 6.3056 6.3056 6.3587 6.3587 6.7185 6.7185 6.7413 6.7413 10.7286 10.7286 10.8155 10.8155 11.3527 11.3527 11.9988 11.9988 12.0297 12.0297 12.2646 12.2646 k = 0.0000 0.3416 0.4961 ( 5650 PWs) bands (ev): -10.3258 -10.3258 -10.2774 -10.2774 -9.5782 -9.5782 -9.5288 -9.5288 -9.4726 -9.4726 -9.2518 -9.2518 -9.1538 -9.1538 -9.1368 -9.1368 2.0950 2.0950 2.2313 2.2313 2.5980 2.5980 2.7756 2.7756 2.9722 2.9722 3.0370 3.0370 3.2018 3.2018 3.2956 3.2956 3.4419 3.4419 3.9136 3.9136 4.0471 4.0471 4.3243 4.3243 4.8678 4.8678 4.8968 4.8968 4.9959 4.9959 5.0879 5.0879 5.3406 5.3406 5.6620 5.6620 5.8075 5.8075 6.0099 6.0099 6.2969 6.2969 6.3702 6.3702 6.7156 6.7156 6.7298 6.7298 10.7424 10.7424 10.8181 10.8181 11.3426 11.3426 12.0083 12.0083 12.0424 12.0424 12.2476 12.2476 k = 0.0000 0.3579 0.4961 ( 5648 PWs) bands (ev): -10.3238 -10.3238 -10.2663 -10.2663 -9.5756 -9.5756 -9.5276 -9.5276 -9.4788 -9.4788 -9.2568 -9.2568 -9.1549 -9.1549 -9.1419 -9.1419 2.1006 2.1006 2.2189 2.2189 2.5894 2.5894 2.7878 2.7878 2.9705 2.9705 3.0204 3.0204 3.1851 3.1851 3.2917 3.2917 3.4521 3.4521 3.8812 3.8812 4.0565 4.0565 4.3169 4.3169 4.8577 4.8577 4.9097 4.9097 5.0267 5.0267 5.1210 5.1210 5.3517 5.3517 5.6693 5.6693 5.8039 5.8039 6.0417 6.0417 6.2848 6.2848 6.3829 6.3829 6.7025 6.7025 6.7250 6.7250 10.7574 10.7574 10.8205 10.8205 11.3351 11.3351 12.0130 12.0130 12.0549 12.0549 12.2321 12.2321 k = 0.0000 0.3742 0.4961 ( 5651 PWs) bands (ev): -10.3230 -10.3230 -10.2552 -10.2552 -9.5732 -9.5732 -9.5267 -9.5267 -9.4836 -9.4836 -9.2623 -9.2623 -9.1558 -9.1558 -9.1466 -9.1466 2.1062 2.1062 2.2068 2.2068 2.5815 2.5815 2.7911 2.7911 2.9692 2.9692 3.0133 3.0133 3.1687 3.1687 3.2922 3.2922 3.4621 3.4621 3.8467 3.8467 4.0669 4.0669 4.3081 4.3081 4.8457 4.8457 4.9232 4.9232 5.0576 5.0576 5.1531 5.1531 5.3612 5.3612 5.6750 5.6750 5.8002 5.8002 6.0785 6.0785 6.2696 6.2696 6.3964 6.3964 6.6836 6.6836 6.7226 6.7226 10.7729 10.7729 10.8226 10.8226 11.3311 11.3311 12.0115 12.0115 12.0674 12.0674 12.2184 12.2184 k = 0.0000 0.3904 0.4961 ( 5652 PWs) bands (ev): -10.3233 -10.3233 -10.2442 -10.2442 -9.5710 -9.5710 -9.5259 -9.5259 -9.4869 -9.4869 -9.2682 -9.2682 -9.1575 -9.1575 -9.1498 -9.1498 2.1118 2.1118 2.1949 2.1949 2.5748 2.5748 2.7853 2.7853 2.9684 2.9684 3.0144 3.0144 3.1528 3.1528 3.2982 3.2982 3.4715 3.4715 3.8111 3.8111 4.0784 4.0784 4.2981 4.2981 4.8324 4.8324 4.9370 4.9370 5.0878 5.0878 5.1834 5.1834 5.3692 5.3692 5.6786 5.6786 5.7990 5.7990 6.1180 6.1180 6.2515 6.2515 6.4105 6.4105 6.6618 6.6618 6.7196 6.7196 10.7875 10.7875 10.8248 10.8248 11.3316 11.3316 12.0028 12.0028 12.0796 12.0796 12.2071 12.2071 k = 0.0000 0.4067 0.4961 ( 5646 PWs) bands (ev): -10.3250 -10.3250 -10.2334 -10.2334 -9.5691 -9.5691 -9.5252 -9.5252 -9.4885 -9.4885 -9.2745 -9.2745 -9.1610 -9.1610 -9.1505 -9.1505 2.1174 2.1174 2.1834 2.1834 2.5695 2.5695 2.7726 2.7726 2.9679 2.9679 3.0200 3.0200 3.1376 3.1376 3.3109 3.3109 3.4795 3.4795 3.7755 3.7755 4.0911 4.0911 4.2871 4.2871 4.8179 4.8179 4.9511 4.9511 5.1169 5.1169 5.2114 5.2114 5.3756 5.3756 5.6785 5.6785 5.8031 5.8031 6.1588 6.1588 6.2308 6.2308 6.4248 6.4248 6.6379 6.6379 6.7156 6.7156 10.7977 10.7977 10.8300 10.8300 11.3370 11.3370 11.9870 11.9870 12.0904 12.0904 12.1988 12.1988 k = 0.0000 0.4230 0.4961 ( 5644 PWs) bands (ev): -10.3279 -10.3279 -10.2228 -10.2228 -9.5678 -9.5678 -9.5247 -9.5247 -9.4883 -9.4883 -9.2810 -9.2810 -9.1655 -9.1655 -9.1496 -9.1496 2.1230 2.1230 2.1721 2.1721 2.5658 2.5658 2.7561 2.7561 2.9673 2.9673 3.0265 3.0265 3.1231 3.1231 3.3308 3.3308 3.4851 3.4851 3.7414 3.7414 4.1051 4.1051 4.2756 4.2756 4.8022 4.8022 4.9651 4.9651 5.1442 5.1442 5.2370 5.2370 5.3809 5.3809 5.6734 5.6734 5.8142 5.8142 6.1989 6.1989 6.2089 6.2089 6.4388 6.4388 6.6124 6.6124 6.7107 6.7107 10.7997 10.7997 10.8416 10.8416 11.3478 11.3478 11.9648 11.9648 12.0989 12.0989 12.1943 12.1943 k = 0.0000 0.4392 0.4961 ( 5644 PWs) bands (ev): -10.3322 -10.3322 -10.2125 -10.2125 -9.5669 -9.5669 -9.5242 -9.5242 -9.4863 -9.4863 -9.2876 -9.2876 -9.1702 -9.1702 -9.1478 -9.1478 2.1287 2.1287 2.1609 2.1609 2.5638 2.5638 2.7380 2.7380 2.9664 2.9664 3.0315 3.0315 3.1097 3.1097 3.3577 3.3577 3.4868 3.4868 3.7107 3.7107 4.1207 4.1207 4.2638 4.2638 4.7853 4.7853 4.9789 4.9789 5.1689 5.1689 5.2602 5.2602 5.3856 5.3856 5.6633 5.6633 5.8321 5.8321 6.1824 6.1824 6.2414 6.2414 6.4517 6.4517 6.5858 6.5858 6.7049 6.7049 10.7955 10.7955 10.8570 10.8570 11.3638 11.3638 11.9376 11.9376 12.1041 12.1041 12.1942 12.1942 k = 0.0000 0.4392 0.4961 ( 5644 PWs) bands (ev): -10.3322 -10.3322 -10.2125 -10.2125 -9.5669 -9.5669 -9.5242 -9.5242 -9.4863 -9.4863 -9.2876 -9.2876 -9.1702 -9.1702 -9.1478 -9.1478 2.1287 2.1287 2.1609 2.1609 2.5638 2.5638 2.7380 2.7380 2.9664 2.9664 3.0315 3.0315 3.1097 3.1097 3.3577 3.3577 3.4868 3.4868 3.7107 3.7107 4.1207 4.1207 4.2638 4.2638 4.7853 4.7853 4.9789 4.9789 5.1689 5.1689 5.2602 5.2602 5.3856 5.3856 5.6633 5.6633 5.8321 5.8321 6.1824 6.1824 6.2414 6.2414 6.4517 6.4517 6.5858 6.5858 6.7049 6.7049 10.7955 10.7955 10.8570 10.8570 11.3638 11.3638 11.9376 11.9376 12.1041 12.1041 12.1942 12.1942 k = 0.0000 0.4487 0.4845 ( 5648 PWs) bands (ev): -10.3223 -10.3223 -10.2211 -10.2211 -9.5617 -9.5617 -9.5266 -9.5266 -9.4748 -9.4748 -9.2991 -9.2991 -9.1708 -9.1708 -9.1526 -9.1526 2.1254 2.1254 2.1534 2.1534 2.5946 2.5946 2.7603 2.7603 2.9466 2.9466 3.0699 3.0699 3.0776 3.0776 3.3621 3.3621 3.4671 3.4671 3.6661 3.6661 4.1368 4.1368 4.2639 4.2639 4.8017 4.8017 4.9664 4.9664 5.1910 5.1910 5.2598 5.2598 5.3992 5.3992 5.6573 5.6573 5.8429 5.8429 6.1604 6.1604 6.2612 6.2612 6.4596 6.4596 6.5709 6.5709 6.6889 6.6889 10.7958 10.7958 10.8517 10.8517 11.3992 11.3992 11.9019 11.9019 12.1253 12.1253 12.2053 12.2053 k = 0.0000 0.4582 0.4729 ( 5645 PWs) bands (ev): -10.3129 -10.3129 -10.2295 -10.2295 -9.5573 -9.5573 -9.5290 -9.5290 -9.4617 -9.4617 -9.3116 -9.3116 -9.1711 -9.1711 -9.1567 -9.1567 2.1228 2.1228 2.1465 2.1465 2.6264 2.6264 2.7825 2.7825 2.9253 2.9253 3.0446 3.0446 3.1106 3.1106 3.3682 3.3682 3.4462 3.4462 3.6218 3.6218 4.1537 4.1537 4.2626 4.2626 4.8176 4.8176 4.9539 4.9539 5.2092 5.2092 5.2593 5.2593 5.4162 5.4162 5.6452 5.6452 5.8599 5.8599 6.1357 6.1357 6.2821 6.2821 6.4642 6.4642 6.5594 6.5594 6.6726 6.6726 10.7972 10.7972 10.8461 10.8461 11.4364 11.4364 11.8632 11.8632 12.1473 12.1473 12.2170 12.2170 k = 0.0000 0.4677 0.4614 ( 5644 PWs) bands (ev): -10.3038 -10.3038 -10.2378 -10.2378 -9.5536 -9.5536 -9.5315 -9.5315 -9.4475 -9.4475 -9.3251 -9.3251 -9.1712 -9.1712 -9.1602 -9.1602 2.1210 2.1210 2.1401 2.1401 2.6590 2.6590 2.8048 2.8048 2.9023 2.9023 3.0128 3.0128 3.1516 3.1516 3.3764 3.3764 3.4242 3.4242 3.5785 3.5785 4.1707 4.1707 4.2595 4.2595 4.8330 4.8330 4.9414 4.9414 5.2234 5.2234 5.2586 5.2586 5.4362 5.4362 5.6283 5.6283 5.8816 5.8816 6.1091 6.1091 6.3039 6.3039 6.4623 6.4623 6.5542 6.5542 6.6563 6.6563 10.7997 10.7997 10.8403 10.8403 11.4755 11.4755 11.8220 11.8220 12.1698 12.1698 12.2293 12.2293 k = 0.0000 0.4772 0.4498 ( 5653 PWs) bands (ev): -10.2951 -10.2951 -10.2459 -10.2459 -9.5503 -9.5503 -9.5340 -9.5340 -9.4326 -9.4326 -9.3394 -9.3394 -9.1710 -9.1710 -9.1630 -9.1630 2.1201 2.1201 2.1346 2.1346 2.6920 2.6920 2.8273 2.8273 2.8773 2.8773 2.9820 2.9820 3.1930 3.1930 3.3866 3.3866 3.4007 3.4007 3.5372 3.5372 4.1871 4.1871 4.2547 4.2547 4.8478 4.8478 4.9287 4.9287 5.2341 5.2341 5.2576 5.2576 5.4590 5.4590 5.6079 5.6079 5.9068 5.9068 6.0810 6.0810 6.3264 6.3264 6.4524 6.4524 6.5570 6.5570 6.6399 6.6399 10.8030 10.8030 10.8344 10.8344 11.5162 11.5162 11.7790 11.7790 12.1924 12.1924 12.2425 12.2425 k = 0.0000 0.4867 0.4382 ( 5655 PWs) bands (ev): -10.2867 -10.2867 -10.2540 -10.2540 -9.5473 -9.5473 -9.5365 -9.5365 -9.4171 -9.4171 -9.3543 -9.3543 -9.1706 -9.1706 -9.1654 -9.1654 2.1201 2.1201 2.1298 2.1298 2.7252 2.7252 2.8479 2.8479 2.8527 2.8527 2.9527 2.9527 3.2340 3.2340 3.3742 3.3742 3.4004 3.4004 3.4992 3.4992 4.2024 4.2024 4.2479 4.2479 4.8622 4.8622 4.9160 4.9160 5.2419 5.2419 5.2562 5.2562 5.4835 5.4835 5.5851 5.5851 5.9341 5.9341 6.0519 6.0519 6.3493 6.3493 6.4363 6.4363 6.5658 6.5658 6.6237 6.6237 10.8072 10.8072 10.8285 10.8285 11.5584 11.5584 11.7350 11.7350 12.2141 12.2141 12.2565 12.2565 k = 0.0000 0.4962 0.4266 ( 5652 PWs) bands (ev): -10.2784 -10.2784 -10.2621 -10.2621 -9.5445 -9.5445 -9.5391 -9.5391 -9.4013 -9.4013 -9.3698 -9.3698 -9.1698 -9.1698 -9.1672 -9.1672 2.1211 2.1211 2.1260 2.1260 2.7580 2.7580 2.8209 2.8209 2.8743 2.8743 2.9250 2.9250 3.2738 3.2738 3.3448 3.3448 3.4173 3.4173 3.4662 3.4662 4.2164 4.2164 4.2393 4.2393 4.8761 4.8761 4.9030 4.9030 5.2475 5.2475 5.2542 5.2542 5.5092 5.5092 5.5606 5.5606 5.9629 5.9629 6.0223 6.0223 6.3723 6.3723 6.4165 6.4165 6.5782 6.5782 6.6078 6.6078 10.8119 10.8119 10.8227 10.8227 11.6017 11.6017 11.6904 11.6904 12.2338 12.2338 12.2621 12.2621 k = 0.0000 0.5057 0.4151 ( 5650 PWs) bands (ev): -10.2702 -10.2702 -10.2702 -10.2702 -9.5417 -9.5417 -9.5417 -9.5417 -9.3855 -9.3855 -9.3855 -9.3855 -9.1687 -9.1687 -9.1687 -9.1687 2.1231 2.1231 2.1231 2.1231 2.7901 2.7901 2.7901 2.7901 2.8990 2.8990 2.8990 2.8990 3.3112 3.3112 3.3112 3.3112 3.4389 3.4389 3.4389 3.4389 4.2288 4.2288 4.2288 4.2288 4.8897 4.8897 4.8897 4.8897 5.2514 5.2514 5.2514 5.2514 5.5351 5.5351 5.5351 5.5351 5.9924 5.9924 5.9924 5.9924 6.3949 6.3949 6.3949 6.3949 6.5925 6.5925 6.5925 6.5925 10.8171 10.8171 10.8171 10.8171 11.6458 11.6458 11.6458 11.6458 12.2501 12.2501 12.2501 12.2501 k = 0.0000 0.5057 0.4151 ( 5650 PWs) bands (ev): -10.2702 -10.2702 -10.2702 -10.2702 -9.5417 -9.5417 -9.5417 -9.5417 -9.3855 -9.3855 -9.3855 -9.3855 -9.1687 -9.1687 -9.1687 -9.1687 2.1231 2.1231 2.1231 2.1231 2.7901 2.7901 2.7901 2.7901 2.8990 2.8990 2.8990 2.8990 3.3112 3.3112 3.3112 3.3112 3.4389 3.4389 3.4389 3.4389 4.2288 4.2288 4.2288 4.2288 4.8897 4.8897 4.8897 4.8897 5.2514 5.2514 5.2514 5.2514 5.5351 5.5351 5.5351 5.5351 5.9924 5.9924 5.9924 5.9924 6.3949 6.3949 6.3949 6.3949 6.5925 6.5925 6.5925 6.5925 10.8171 10.8171 10.8171 10.8171 11.6458 11.6458 11.6458 11.6458 12.2501 12.2501 12.2501 12.2501 k = 0.0161 0.5057 0.4151 ( 5652 PWs) bands (ev): -10.2707 -10.2707 -10.2699 -10.2699 -9.5438 -9.5438 -9.5422 -9.5422 -9.3854 -9.3854 -9.3830 -9.3830 -9.1691 -9.1691 -9.1681 -9.1681 2.1230 2.1230 2.1237 2.1237 2.7886 2.7886 2.7904 2.7904 2.8991 2.8991 2.9012 2.9012 3.3121 3.3121 3.3123 3.3123 3.4400 3.4400 3.4409 3.4409 4.2286 4.2286 4.2291 4.2291 4.8876 4.8876 4.8891 4.8891 5.2504 5.2504 5.2514 5.2514 5.5320 5.5320 5.5357 5.5357 5.9906 5.9906 5.9939 5.9939 6.3914 6.3914 6.3917 6.3917 6.5933 6.5933 6.5940 6.5940 10.8177 10.8177 10.8188 10.8188 11.6447 11.6447 11.6470 11.6470 12.2380 12.2380 12.2581 12.2581 k = 0.0323 0.5057 0.4151 ( 5660 PWs) bands (ev): -10.2713 -10.2713 -10.2698 -10.2698 -9.5480 -9.5480 -9.5450 -9.5450 -9.3829 -9.3829 -9.3783 -9.3783 -9.1693 -9.1693 -9.1674 -9.1674 2.1237 2.1237 2.1251 2.1251 2.7861 2.7861 2.7894 2.7894 2.9017 2.9017 2.9056 2.9056 3.3151 3.3151 3.3153 3.3153 3.4442 3.4442 3.4461 3.4461 4.2285 4.2285 4.2295 4.2295 4.8829 4.8829 4.8856 4.8856 5.2485 5.2485 5.2504 5.2504 5.5268 5.5268 5.5340 5.5340 5.9885 5.9885 5.9949 5.9949 6.3816 6.3816 6.3823 6.3823 6.5961 6.5961 6.5975 6.5975 10.8205 10.8205 10.8226 10.8226 11.6436 11.6436 11.6482 11.6482 12.2239 12.2239 12.2559 12.2559 k = 0.0484 0.5057 0.4151 ( 5654 PWs) bands (ev): -10.2722 -10.2722 -10.2698 -10.2698 -9.5541 -9.5541 -9.5499 -9.5499 -9.3782 -9.3782 -9.3716 -9.3716 -9.1694 -9.1694 -9.1666 -9.1666 2.1250 2.1250 2.1270 2.1270 2.7830 2.7830 2.7876 2.7876 2.9064 2.9064 2.9116 2.9116 3.3198 3.3198 3.3198 3.3198 3.4518 3.4518 3.4544 3.4544 4.2286 4.2286 4.2301 4.2301 4.8754 4.8754 4.8792 4.8792 5.2457 5.2457 5.2484 5.2484 5.5198 5.5198 5.5301 5.5301 5.9858 5.9858 5.9949 5.9949 6.3670 6.3670 6.3681 6.3681 6.5997 6.5997 6.6018 6.6018 10.8255 10.8255 10.8286 10.8286 11.6427 11.6427 11.6496 11.6496 12.2081 12.2081 12.2439 12.2439 k = 0.0645 0.5057 0.4151 ( 5652 PWs) bands (ev): -10.2731 -10.2731 -10.2701 -10.2701 -9.5616 -9.5616 -9.5567 -9.5567 -9.3716 -9.3716 -9.3635 -9.3635 -9.1693 -9.1693 -9.1656 -9.1656 2.1271 2.1271 2.1297 2.1297 2.7799 2.7799 2.7852 2.7852 2.9128 2.9128 2.9189 2.9189 3.3255 3.3255 3.3257 3.3257 3.4629 3.4629 3.4663 3.4663 4.2291 4.2291 4.2309 4.2309 4.8649 4.8649 4.8695 4.8695 5.2422 5.2422 5.2455 5.2455 5.5116 5.5116 5.5245 5.5245 5.9819 5.9819 5.9931 5.9931 6.3492 6.3492 6.3508 6.3508 6.6030 6.6030 6.6056 6.6056 10.8325 10.8325 10.8368 10.8368 11.6420 11.6420 11.6512 11.6512 12.1908 12.1908 12.2276 12.2276 k = 0.0806 0.5057 0.4151 ( 5658 PWs) bands (ev): -10.2743 -10.2743 -10.2705 -10.2705 -9.5702 -9.5702 -9.5648 -9.5648 -9.3636 -9.3636 -9.3543 -9.3543 -9.1690 -9.1690 -9.1645 -9.1645 2.1299 2.1299 2.1331 2.1331 2.7772 2.7772 2.7830 2.7830 2.9205 2.9205 2.9271 2.9271 3.3316 3.3316 3.3323 3.3323 3.4780 3.4780 3.4818 3.4818 4.2301 4.2301 4.2322 4.2322 4.8513 4.8513 4.8563 4.8563 5.2381 5.2381 5.2417 5.2417 5.5027 5.5027 5.5177 5.5177 5.9761 5.9761 5.9888 5.9888 6.3297 6.3297 6.3320 6.3320 6.6047 6.6047 6.6081 6.6081 10.8416 10.8416 10.8471 10.8471 11.6417 11.6417 11.6531 11.6531 12.1721 12.1721 12.2090 12.2090 k = 0.0968 0.5057 0.4151 ( 5658 PWs) bands (ev): -10.2755 -10.2755 -10.2710 -10.2710 -9.5794 -9.5794 -9.5739 -9.5739 -9.3546 -9.3546 -9.3444 -9.3444 -9.1686 -9.1686 -9.1632 -9.1632 2.1335 2.1335 2.1372 2.1372 2.7753 2.7753 2.7812 2.7812 2.9292 2.9292 2.9358 2.9358 3.3375 3.3375 3.3390 3.3390 3.4971 3.4971 3.5013 3.5013 4.2317 4.2317 4.2341 4.2341 4.8345 4.8345 4.8395 4.8395 5.2336 5.2336 5.2372 5.2372 5.4935 5.4935 5.5101 5.5101 5.9677 5.9677 5.9813 5.9813 6.3099 6.3099 6.3130 6.3130 6.6042 6.6042 6.6082 6.6082 10.8527 10.8527 10.8593 10.8593 11.6419 11.6419 11.6556 11.6556 12.1518 12.1518 12.1885 12.1885 k = 0.1129 0.5057 0.4151 ( 5666 PWs) bands (ev): -10.2769 -10.2769 -10.2717 -10.2717 -9.5891 -9.5891 -9.5836 -9.5836 -9.3449 -9.3449 -9.3339 -9.3339 -9.1681 -9.1681 -9.1619 -9.1619 2.1379 2.1379 2.1421 2.1421 2.7743 2.7743 2.7802 2.7802 2.9386 2.9386 2.9451 2.9451 3.3429 3.3429 3.3453 3.3453 3.5203 3.5203 3.5247 3.5247 4.2341 4.2341 4.2367 4.2367 4.8144 4.8144 4.8190 4.8190 5.2286 5.2286 5.2321 5.2321 5.4846 5.4846 5.5021 5.5021 5.9561 5.9561 5.9699 5.9699 6.2910 6.2910 6.2949 6.2949 6.6008 6.6008 6.6055 6.6055 10.8656 10.8656 10.8735 10.8735 11.6429 11.6429 11.6588 11.6588 12.1300 12.1300 12.1664 12.1664 k = 0.1290 0.5057 0.4151 ( 5666 PWs) bands (ev): -10.2785 -10.2785 -10.2726 -10.2726 -9.5991 -9.5991 -9.5938 -9.5938 -9.3347 -9.3347 -9.3232 -9.3232 -9.1674 -9.1674 -9.1604 -9.1604 2.1432 2.1432 2.1479 2.1479 2.7745 2.7745 2.7803 2.7803 2.9486 2.9486 2.9547 2.9547 3.3474 3.3474 3.3506 3.3506 3.5474 3.5474 3.5519 3.5519 4.2375 4.2375 4.2402 4.2402 4.7911 4.7911 4.7951 4.7951 5.2232 5.2232 5.2263 5.2263 5.4760 5.4760 5.4942 5.4942 5.9409 5.9409 5.9545 5.9545 6.2737 6.2737 6.2786 6.2786 6.5942 6.5942 6.5996 6.5996 10.8802 10.8802 10.8895 10.8895 11.6447 11.6447 11.6628 11.6628 12.1067 12.1067 12.1426 12.1426 k = 0.1452 0.5057 0.4151 ( 5662 PWs) bands (ev): -10.2801 -10.2801 -10.2736 -10.2736 -9.6092 -9.6092 -9.6041 -9.6041 -9.3242 -9.3242 -9.3123 -9.3123 -9.1666 -9.1666 -9.1589 -9.1589 2.1495 2.1495 2.1545 2.1545 2.7760 2.7760 2.7815 2.7815 2.9591 2.9591 2.9646 2.9646 3.3506 3.3506 3.3547 3.3547 3.5782 3.5782 3.5828 3.5828 4.2417 4.2417 4.2445 4.2445 4.7648 4.7648 4.7680 4.7680 5.2174 5.2174 5.2201 5.2201 5.4679 5.4679 5.4862 5.4862 5.9223 5.9223 5.9352 5.9352 6.2583 6.2583 6.2642 6.2642 6.5841 6.5841 6.5902 6.5902 10.8964 10.8964 10.9071 10.9071 11.6475 11.6475 11.6679 11.6679 12.0820 12.0820 12.1173 12.1173 k = 0.1613 0.5057 0.4151 ( 5662 PWs) bands (ev): -10.2818 -10.2818 -10.2748 -10.2748 -9.6192 -9.6192 -9.6145 -9.6145 -9.3135 -9.3135 -9.3014 -9.3014 -9.1657 -9.1657 -9.1573 -9.1573 2.1567 2.1567 2.1620 2.1620 2.7788 2.7788 2.7840 2.7840 2.9700 2.9700 2.9749 2.9749 3.3525 3.3525 3.3574 3.3574 3.6122 3.6122 3.6170 3.6170 4.2469 4.2469 4.2497 4.2497 4.7362 4.7362 4.7384 4.7384 5.2110 5.2110 5.2132 5.2132 5.4602 5.4602 5.4783 5.4783 5.9006 5.9006 5.9127 5.9127 6.2450 6.2450 6.2516 6.2516 6.5704 6.5704 6.5773 6.5773 10.9140 10.9140 10.9263 10.9263 11.6514 11.6514 11.6742 11.6742 12.0560 12.0560 12.0906 12.0906 k = 0.1774 0.5057 0.4151 ( 5650 PWs) bands (ev): -10.2836 -10.2836 -10.2760 -10.2760 -9.6291 -9.6291 -9.6249 -9.6249 -9.3029 -9.3029 -9.2906 -9.2906 -9.1646 -9.1646 -9.1557 -9.1557 2.1650 2.1650 2.1705 2.1705 2.7830 2.7830 2.7877 2.7877 2.9814 2.9814 2.9855 2.9855 3.3530 3.3530 3.3586 3.3586 3.6491 3.6491 3.6541 3.6541 4.2526 4.2526 4.2556 4.2556 4.7059 4.7059 4.7074 4.7074 5.2038 5.2038 5.2056 5.2056 5.4525 5.4525 5.4702 5.4702 5.8768 5.8768 5.8879 5.8879 6.2333 6.2333 6.2404 6.2404 6.5532 6.5532 6.5609 6.5609 10.9328 10.9328 10.9468 10.9468 11.6565 11.6565 11.6818 11.6818 12.0290 12.0290 12.0627 12.0627 k = 0.1935 0.5057 0.4151 ( 5652 PWs) bands (ev): -10.2855 -10.2855 -10.2774 -10.2774 -9.6389 -9.6389 -9.6352 -9.6352 -9.2923 -9.2923 -9.2799 -9.2799 -9.1636 -9.1636 -9.1540 -9.1540 2.1743 2.1743 2.1800 2.1800 2.7884 2.7884 2.7926 2.7926 2.9932 2.9932 2.9965 2.9965 3.3519 3.3519 3.3581 3.3581 3.6885 3.6885 3.6937 3.6937 4.2582 4.2582 4.2615 4.2615 4.6752 4.6752 4.6760 4.6760 5.1956 5.1956 5.1972 5.1972 5.4447 5.4447 5.4616 5.4616 5.8520 5.8520 5.8620 5.8620 6.2229 6.2229 6.2303 6.2303 6.5324 6.5324 6.5410 6.5410 10.9527 10.9527 10.9684 10.9684 11.6627 11.6627 11.6906 11.6906 12.0010 12.0010 12.0338 12.0338 k = 0.2097 0.5057 0.4151 ( 5660 PWs) bands (ev): -10.2874 -10.2874 -10.2788 -10.2788 -9.6483 -9.6483 -9.6452 -9.6452 -9.2819 -9.2819 -9.2695 -9.2695 -9.1624 -9.1624 -9.1523 -9.1523 2.1847 2.1847 2.1905 2.1905 2.7950 2.7950 2.7986 2.7986 3.0055 3.0055 3.0080 3.0080 3.3494 3.3494 3.3559 3.3559 3.7299 3.7299 3.7354 3.7354 4.2629 4.2629 4.2665 4.2665 4.6454 4.6454 4.6458 4.6458 5.1865 5.1865 5.1880 5.1880 5.4361 5.4361 5.4520 5.4520 5.8271 5.8271 5.8362 5.8362 6.2131 6.2131 6.2205 6.2205 6.5084 6.5084 6.5178 6.5178 10.9734 10.9734 10.9911 10.9911 11.6699 11.6699 11.7008 11.7008 11.9727 11.9727 12.0041 12.0041 k = 0.2258 0.5057 0.4151 ( 5660 PWs) bands (ev): -10.2893 -10.2893 -10.2803 -10.2803 -9.6575 -9.6575 -9.6549 -9.6549 -9.2718 -9.2718 -9.2594 -9.2594 -9.1612 -9.1612 -9.1507 -9.1507 2.1962 2.1962 2.2020 2.2020 2.8026 2.8026 2.8056 2.8056 3.0182 3.0182 3.0198 3.0198 3.3455 3.3455 3.3521 3.3521 3.7729 3.7729 3.7787 3.7787 4.2649 4.2649 4.2693 4.2693 4.6187 4.6187 4.6191 4.6191 5.1762 5.1762 5.1777 5.1777 5.4263 5.4263 5.4411 5.4411 5.8034 5.8034 5.8114 5.8114 6.2035 6.2035 6.2105 6.2105 6.4814 6.4814 6.4917 6.4917 10.9949 10.9949 11.0146 11.0146 11.6779 11.6779 11.7121 11.7121 11.9443 11.9443 11.9740 11.9740 k = 0.2419 0.5057 0.4151 ( 5660 PWs) bands (ev): -10.2912 -10.2912 -10.2818 -10.2818 -9.6663 -9.6663 -9.6643 -9.6643 -9.2619 -9.2619 -9.2496 -9.2496 -9.1600 -9.1600 -9.1491 -9.1491 2.2089 2.2089 2.2145 2.2145 2.8111 2.8111 2.8133 2.8133 3.0314 3.0314 3.0320 3.0320 3.3402 3.3402 3.3468 3.3468 3.8171 3.8171 3.8232 3.8232 4.2624 4.2624 4.2678 4.2678 4.5972 4.5972 4.5980 4.5980 5.1648 5.1648 5.1665 5.1665 5.4148 5.4148 5.4284 5.4284 5.7816 5.7816 5.7886 5.7886 6.1936 6.1936 6.2000 6.2000 6.4518 6.4518 6.4631 6.4631 11.0168 11.0168 11.0388 11.0388 11.6861 11.6861 11.7242 11.7242 11.9167 11.9167 11.9439 11.9439 k = 0.2581 0.5057 0.4151 ( 5656 PWs) bands (ev): -10.2931 -10.2931 -10.2834 -10.2834 -9.6747 -9.6747 -9.6733 -9.6733 -9.2523 -9.2523 -9.2402 -9.2402 -9.1588 -9.1588 -9.1475 -9.1475 2.2225 2.2225 2.2281 2.2281 2.8203 2.8203 2.8217 2.8217 3.0446 3.0446 3.0450 3.0450 3.3339 3.3339 3.3401 3.3401 3.8622 3.8622 3.8685 3.8685 4.2535 4.2535 4.2602 4.2602 4.5833 4.5833 4.5849 4.5849 5.1527 5.1527 5.1546 5.1546 5.4013 5.4013 5.4138 5.4138 5.7624 5.7624 5.7685 5.7685 6.1826 6.1826 6.1882 6.1882 6.4203 6.4203 6.4327 6.4327 11.0391 11.0391 11.0635 11.0635 11.6936 11.6936 11.7366 11.7366 11.8908 11.8908 11.9145 11.9145 k = 0.2742 0.5057 0.4151 ( 5662 PWs) bands (ev): -10.2950 -10.2950 -10.2850 -10.2850 -9.6827 -9.6827 -9.6818 -9.6818 -9.2431 -9.2431 -9.2312 -9.2312 -9.1575 -9.1575 -9.1460 -9.1460 2.2372 2.2372 2.2427 2.2427 2.8299 2.8299 2.8303 2.8303 3.0576 3.0576 3.0589 3.0589 3.3268 3.3268 3.3324 3.3324 3.9075 3.9075 3.9141 3.9141 4.2371 4.2371 4.2453 4.2453 4.5785 4.5785 4.5809 4.5809 5.1401 5.1401 5.1421 5.1421 5.3856 5.3856 5.3971 5.3971 5.7461 5.7461 5.7515 5.7515 6.1700 6.1700 6.1745 6.1745 6.3877 6.3877 6.4013 6.4013 11.0616 11.0616 11.0885 11.0885 11.6990 11.6990 11.7481 11.7481 11.8683 11.8683 11.8871 11.8871 k = 0.2903 0.5057 0.4151 ( 5664 PWs) bands (ev): -10.2969 -10.2969 -10.2866 -10.2866 -9.6902 -9.6902 -9.6899 -9.6899 -9.2344 -9.2344 -9.2227 -9.2227 -9.1564 -9.1564 -9.1446 -9.1446 2.2529 2.2529 2.2581 2.2581 2.8389 2.8389 2.8396 2.8396 3.0708 3.0708 3.0731 3.0731 3.3191 3.3191 3.3239 3.3239 3.9527 3.9527 3.9594 3.9594 4.2138 4.2138 4.2233 4.2233 4.5825 4.5825 4.5855 4.5855 5.1276 5.1276 5.1297 5.1297 5.3679 5.3679 5.3786 5.3786 5.7326 5.7326 5.7374 5.7374 6.1546 6.1546 6.1580 6.1580 6.3554 6.3554 6.3701 6.3701 11.0840 11.0840 11.1138 11.1138 11.7002 11.7002 11.7562 11.7562 11.8512 11.8512 11.8641 11.8641 k = 0.3065 0.5057 0.4151 ( 5668 PWs) bands (ev): -10.2987 -10.2987 -10.2881 -10.2881 -9.6975 -9.6975 -9.6973 -9.6973 -9.2261 -9.2261 -9.2146 -9.2146 -9.1553 -9.1553 -9.1433 -9.1433 2.2693 2.2693 2.2744 2.2744 2.8472 2.8472 2.8491 2.8491 3.0841 3.0841 3.0875 3.0875 3.3113 3.3113 3.3150 3.3150 3.9969 3.9969 4.0036 4.0036 4.1853 4.1853 4.1960 4.1960 4.5938 4.5938 4.5971 4.5971 5.1160 5.1160 5.1178 5.1178 5.3485 5.3485 5.3587 5.3587 5.7218 5.7218 5.7261 5.7261 6.1354 6.1354 6.1376 6.1376 6.3250 6.3250 6.3405 6.3405 11.1064 11.1064 11.1391 11.1391 11.6951 11.6951 11.7565 11.7565 11.8416 11.8416 11.8496 11.8496 k = 0.3226 0.5057 0.4151 ( 5666 PWs) bands (ev): -10.3004 -10.3004 -10.2896 -10.2896 -9.7046 -9.7046 -9.7038 -9.7038 -9.2182 -9.2182 -9.2070 -9.2070 -9.1542 -9.1542 -9.1421 -9.1421 2.2865 2.2865 2.2913 2.2913 2.8547 2.8547 2.8580 2.8580 3.0976 3.0976 3.1021 3.1021 3.3036 3.3036 3.3061 3.3061 4.0387 4.0387 4.0454 4.0454 4.1545 4.1545 4.1663 4.1663 4.6104 4.6104 4.6135 4.6135 5.1058 5.1058 5.1070 5.1070 5.3282 5.3282 5.3382 5.3382 5.7130 5.7130 5.7171 5.7171 6.1109 6.1109 6.1122 6.1122 6.2980 6.2980 6.3142 6.3142 11.1285 11.1285 11.1644 11.1644 11.6833 11.6833 11.7456 11.7456 11.8399 11.8399 11.8469 11.8469 k = 0.3387 0.5057 0.4151 ( 5668 PWs) bands (ev): -10.3021 -10.3021 -10.2911 -10.2911 -9.7111 -9.7111 -9.7098 -9.7098 -9.2108 -9.2108 -9.1999 -9.1999 -9.1533 -9.1533 -9.1411 -9.1411 2.3042 2.3042 2.3087 2.3087 2.8610 2.8610 2.8659 2.8659 3.1110 3.1110 3.1166 3.1166 3.2966 3.2966 3.2976 3.2976 4.0718 4.0718 4.0788 4.0788 4.1290 4.1290 4.1413 4.1413 4.6301 4.6301 4.6326 4.6326 5.0978 5.0978 5.0980 5.0980 5.3078 5.3078 5.3180 5.3180 5.7056 5.7056 5.7097 5.7097 6.0804 6.0804 6.0813 6.0813 6.2759 6.2759 6.2922 6.2922 11.1501 11.1501 11.1894 11.1894 11.6664 11.6664 11.7266 11.7266 11.8443 11.8443 11.8527 11.8527 k = 0.3548 0.5057 0.4151 ( 5680 PWs) bands (ev): -10.3036 -10.3036 -10.2924 -10.2924 -9.7171 -9.7171 -9.7153 -9.7153 -9.2040 -9.2040 -9.1933 -9.1933 -9.1526 -9.1526 -9.1403 -9.1403 2.3222 2.3222 2.3264 2.3264 2.8659 2.8659 2.8725 2.8725 3.1242 3.1242 3.1311 3.1311 3.2899 3.2899 3.2904 3.2904 4.0672 4.0672 4.0778 4.0778 4.1387 4.1387 4.1478 4.1478 4.6513 4.6513 4.6526 4.6526 5.0909 5.0909 5.0920 5.0920 5.2889 5.2889 5.2996 5.2996 5.6990 5.6990 5.7033 5.7033 6.0444 6.0444 6.0451 6.0451 6.2587 6.2587 6.2746 6.2746 11.1711 11.1711 11.2141 11.2141 11.6469 11.6469 11.7041 11.7041 11.8523 11.8523 11.8618 11.8618 k = 0.3710 0.5057 0.4151 ( 5676 PWs) bands (ev): -10.3050 -10.3050 -10.2937 -10.2937 -9.7224 -9.7224 -9.7203 -9.7203 -9.1977 -9.1977 -9.1873 -9.1873 -9.1519 -9.1519 -9.1396 -9.1396 2.3402 2.3402 2.3441 2.3441 2.8691 2.8691 2.8775 2.8775 3.1371 3.1371 3.1454 3.1454 3.2833 3.2833 3.2853 3.2853 4.0378 4.0378 4.0504 4.0504 4.1711 4.1711 4.1786 4.1786 4.6724 4.6724 4.6728 4.6728 5.0849 5.0849 5.0876 5.0876 5.2738 5.2738 5.2849 5.2849 5.6924 5.6924 5.6971 5.6971 6.0042 6.0042 6.0049 6.0049 6.2459 6.2459 6.2612 6.2612 11.1913 11.1913 11.2382 11.2382 11.6266 11.6266 11.6810 11.6810 11.8618 11.8618 11.8709 11.8709 k = 0.3871 0.5057 0.4151 ( 5672 PWs) bands (ev): -10.3063 -10.3063 -10.2949 -10.2949 -9.7272 -9.7272 -9.7247 -9.7247 -9.1921 -9.1921 -9.1818 -9.1818 -9.1515 -9.1515 -9.1390 -9.1390 2.3578 2.3578 2.3615 2.3615 2.8704 2.8704 2.8807 2.8807 3.1495 3.1495 3.1595 3.1595 3.2779 3.2779 3.2814 3.2814 4.0062 4.0062 4.0199 4.0199 4.2038 4.2038 4.2105 4.2105 4.6913 4.6913 4.6939 4.6939 5.0784 5.0784 5.0824 5.0824 5.2657 5.2657 5.2767 5.2767 5.6848 5.6848 5.6901 5.6901 5.9619 5.9619 5.9623 5.9623 6.2365 6.2365 6.2511 6.2511 11.2104 11.2104 11.2615 11.2615 11.6068 11.6068 11.6587 11.6587 11.8715 11.8715 11.8784 11.8784 k = 0.4032 0.5057 0.4151 ( 5672 PWs) bands (ev): -10.3074 -10.3074 -10.2959 -10.2959 -9.7314 -9.7314 -9.7285 -9.7285 -9.1870 -9.1870 -9.1768 -9.1768 -9.1513 -9.1513 -9.1387 -9.1387 2.3747 2.3747 2.3782 2.3782 2.8700 2.8700 2.8820 2.8820 3.1612 3.1612 3.1730 3.1730 3.2739 3.2739 3.2785 3.2785 3.9761 3.9761 3.9906 3.9906 4.2334 4.2334 4.2394 4.2394 4.7094 4.7094 4.7144 4.7144 5.0689 5.0689 5.0736 5.0736 5.2678 5.2678 5.2778 5.2778 5.6750 5.6750 5.6812 5.6812 5.9197 5.9197 5.9197 5.9197 6.2296 6.2296 6.2436 6.2436 11.2282 11.2282 11.2837 11.2837 11.5883 11.5883 11.6378 11.6378 11.8805 11.8805 11.8831 11.8831 k = 0.4194 0.5057 0.4151 ( 5674 PWs) bands (ev): -10.3084 -10.3084 -10.2968 -10.2968 -9.7349 -9.7349 -9.7317 -9.7317 -9.1825 -9.1825 -9.1724 -9.1724 -9.1513 -9.1513 -9.1384 -9.1384 2.3904 2.3904 2.3937 2.3937 2.8682 2.8682 2.8817 2.8817 3.1721 3.1721 3.1860 3.1860 3.2710 3.2710 3.2763 3.2763 3.9489 3.9489 3.9641 3.9641 4.2587 4.2587 4.2640 4.2640 4.7270 4.7270 4.7346 4.7346 5.0550 5.0550 5.0595 5.0595 5.2816 5.2816 5.2897 5.2897 5.6614 5.6614 5.6688 5.6688 5.8795 5.8795 5.8803 5.8803 6.2247 6.2247 6.2380 6.2380 11.2443 11.2443 11.3043 11.3043 11.5717 11.5717 11.6188 11.6188 11.8850 11.8850 11.8881 11.8881 k = 0.4355 0.5057 0.4151 ( 5684 PWs) bands (ev): -10.3092 -10.3092 -10.2975 -10.2975 -9.7378 -9.7378 -9.7344 -9.7344 -9.1788 -9.1788 -9.1685 -9.1685 -9.1515 -9.1515 -9.1383 -9.1383 2.4043 2.4043 2.4075 2.4075 2.8653 2.8653 2.8803 2.8803 3.1819 3.1819 3.1980 3.1980 3.2691 3.2691 3.2745 3.2745 3.9254 3.9254 3.9412 3.9412 4.2792 4.2792 4.2840 4.2840 4.7445 4.7445 4.7546 4.7546 5.0372 5.0372 5.0413 5.0413 5.3056 5.3056 5.3116 5.3116 5.6421 5.6421 5.6507 5.6507 5.8449 5.8449 5.8466 5.8466 6.2211 6.2211 6.2340 6.2340 11.2583 11.2583 11.3229 11.3229 11.5574 11.5574 11.6021 11.6021 11.8844 11.8844 11.8940 11.8940 k = 0.4516 0.5057 0.4151 ( 5682 PWs) bands (ev): -10.3098 -10.3098 -10.2981 -10.2981 -9.7401 -9.7401 -9.7365 -9.7365 -9.1758 -9.1758 -9.1651 -9.1651 -9.1520 -9.1520 -9.1383 -9.1383 2.4160 2.4160 2.4191 2.4191 2.8621 2.8621 2.8782 2.8782 3.1903 3.1903 3.2087 3.2087 3.2679 3.2679 3.2729 3.2729 3.9064 3.9064 3.9227 3.9227 4.2948 4.2948 4.2990 4.2990 4.7615 4.7615 4.7741 4.7741 5.0173 5.0173 5.0213 5.0213 5.3368 5.3368 5.3409 5.3409 5.6162 5.6162 5.6259 5.6259 5.8184 5.8184 5.8209 5.8209 6.2186 6.2186 6.2312 6.2312 11.2699 11.2699 11.3387 11.3387 11.5458 11.5458 11.5882 11.5882 11.8823 11.8823 11.8982 11.8982 k = 0.4677 0.5057 0.4151 ( 5686 PWs) bands (ev): -10.3103 -10.3103 -10.2986 -10.2986 -9.7417 -9.7417 -9.7380 -9.7380 -9.1736 -9.1736 -9.1623 -9.1623 -9.1527 -9.1527 -9.1384 -9.1384 2.4248 2.4248 2.4278 2.4278 2.8592 2.8592 2.8761 2.8761 3.1968 3.1968 3.2174 3.2174 3.2670 3.2670 3.2712 3.2712 3.8923 3.8923 3.9090 3.9090 4.3057 4.3057 4.3095 4.3095 4.7769 4.7769 4.7919 4.7919 4.9983 4.9983 5.0026 5.0026 5.3709 5.3709 5.3740 5.3740 5.5854 5.5854 5.5961 5.5961 5.8009 5.8009 5.8039 5.8039 6.2170 6.2170 6.2293 6.2293 11.2785 11.2785 11.3509 11.3509 11.5372 11.5372 11.5775 11.5775 11.8797 11.8797 11.9008 11.9008 k = 0.4839 0.5057 0.4151 ( 5684 PWs) bands (ev): -10.3106 -10.3106 -10.2988 -10.2988 -9.7427 -9.7427 -9.7389 -9.7389 -9.1722 -9.1722 -9.1603 -9.1603 -9.1535 -9.1535 -9.1385 -9.1385 2.4303 2.4303 2.4333 2.4333 2.8572 2.8572 2.8746 2.8746 3.2009 3.2009 3.2233 3.2233 3.2665 3.2665 3.2698 3.2698 3.8837 3.8837 3.9006 3.9006 4.3120 4.3120 4.3156 4.3156 4.7882 4.7882 4.8051 4.8051 4.9839 4.9839 4.9890 4.9890 5.4015 5.4015 5.4046 5.4046 5.5557 5.5557 5.5675 5.5675 5.7914 5.7914 5.7945 5.7945 6.2161 6.2161 6.2283 6.2283 11.2839 11.2839 11.3588 11.3588 11.5320 11.5320 11.5708 11.5708 11.8776 11.8776 11.9022 11.9022 k = 0.5000 0.5057 0.4151 ( 5680 PWs) bands (ev): -10.3107 -10.3107 -10.2989 -10.2989 -9.7430 -9.7430 -9.7391 -9.7391 -9.1718 -9.1718 -9.1595 -9.1595 -9.1539 -9.1539 -9.1385 -9.1385 2.4322 2.4322 2.4352 2.4352 2.8565 2.8565 2.8740 2.8740 3.2023 3.2023 3.2254 3.2254 3.2664 3.2664 3.2693 3.2693 3.8807 3.8807 3.8978 3.8978 4.3141 4.3141 4.3176 4.3176 4.7925 4.7925 4.8102 4.8102 4.9784 4.9784 4.9838 4.9838 5.4154 5.4154 5.4191 5.4191 5.5415 5.5415 5.5542 5.5542 5.7884 5.7884 5.7915 5.7915 6.2158 6.2158 6.2279 6.2279 11.2857 11.2857 11.3615 11.3615 11.5302 11.5302 11.5685 11.5685 11.8769 11.8769 11.9026 11.9026 k = 0.5000 0.5057 0.4151 ( 5680 PWs) bands (ev): -10.3107 -10.3107 -10.2989 -10.2989 -9.7430 -9.7430 -9.7391 -9.7391 -9.1718 -9.1718 -9.1595 -9.1595 -9.1539 -9.1539 -9.1385 -9.1385 2.4322 2.4322 2.4352 2.4352 2.8565 2.8565 2.8740 2.8740 3.2023 3.2023 3.2254 3.2254 3.2664 3.2664 3.2693 3.2693 3.8807 3.8807 3.8978 3.8978 4.3141 4.3141 4.3176 4.3176 4.7925 4.7925 4.8102 4.8102 4.9784 4.9784 4.9838 4.9838 5.4154 5.4154 5.4191 5.4191 5.5415 5.5415 5.5542 5.5542 5.7884 5.7884 5.7915 5.7915 6.2158 6.2158 6.2279 6.2279 11.2857 11.2857 11.3615 11.3615 11.5302 11.5302 11.5685 11.5685 11.8769 11.8769 11.9026 11.9026 k = 0.5000 0.5152 0.4035 ( 5684 PWs) bands (ev): -10.3105 -10.3105 -10.2987 -10.2987 -9.7431 -9.7431 -9.7392 -9.7392 -9.1719 -9.1719 -9.1597 -9.1597 -9.1539 -9.1539 -9.1385 -9.1385 2.4328 2.4328 2.4357 2.4357 2.8566 2.8566 2.8741 2.8741 3.2006 3.2006 3.2233 3.2233 3.2657 3.2657 3.2682 3.2682 3.8804 3.8804 3.8975 3.8975 4.3162 4.3162 4.3197 4.3197 4.7927 4.7927 4.8104 4.8104 4.9787 4.9787 4.9840 4.9840 5.4144 5.4144 5.4181 5.4181 5.5418 5.5418 5.5546 5.5546 5.7884 5.7884 5.7914 5.7914 6.2166 6.2166 6.2286 6.2286 11.2826 11.2826 11.3559 11.3559 11.5362 11.5362 11.5718 11.5718 11.8775 11.8775 11.9034 11.9034 k = 0.5000 0.5247 0.3919 ( 5684 PWs) bands (ev): -10.3099 -10.3099 -10.2981 -10.2981 -9.7433 -9.7433 -9.7395 -9.7395 -9.1723 -9.1723 -9.1600 -9.1600 -9.1539 -9.1539 -9.1386 -9.1386 2.4344 2.4344 2.4373 2.4373 2.8570 2.8570 2.8744 2.8744 3.1956 3.1956 3.2171 3.2171 3.2637 3.2637 3.2651 3.2651 3.8795 3.8795 3.8967 3.8967 4.3225 4.3225 4.3258 4.3258 4.7933 4.7933 4.8109 4.8109 4.9795 4.9795 4.9846 4.9846 5.4113 5.4113 5.4154 5.4154 5.5429 5.5429 5.5558 5.5558 5.7886 5.7886 5.7913 5.7913 6.2189 6.2189 6.2307 6.2307 11.2738 11.2738 11.3409 11.3409 11.5523 11.5523 11.5811 11.5811 11.8792 11.8792 11.9058 11.9058 k = 0.5000 0.5342 0.3804 ( 5684 PWs) bands (ev): -10.3089 -10.3089 -10.2971 -10.2971 -9.7437 -9.7437 -9.7399 -9.7399 -9.1729 -9.1729 -9.1605 -9.1605 -9.1540 -9.1540 -9.1387 -9.1387 2.4370 2.4370 2.4399 2.4399 2.8575 2.8575 2.8747 2.8747 3.1875 3.1875 3.2072 3.2072 3.2601 3.2601 3.2602 3.2602 3.8780 3.8780 3.8954 3.8954 4.3326 4.3326 4.3358 4.3358 4.7942 4.7942 4.8117 4.8117 4.9806 4.9806 4.9854 4.9854 5.4065 5.4065 5.4111 5.4111 5.5443 5.5443 5.5575 5.5575 5.7893 5.7893 5.7914 5.7914 6.2227 6.2227 6.2340 6.2340 11.2605 11.2605 11.3205 11.3205 11.5745 11.5745 11.5952 11.5952 11.8821 11.8821 11.9097 11.9097 k = 0.5000 0.5437 0.3688 ( 5682 PWs) bands (ev): -10.3075 -10.3075 -10.2957 -10.2957 -9.7442 -9.7442 -9.7405 -9.7405 -9.1738 -9.1738 -9.1612 -9.1612 -9.1541 -9.1541 -9.1389 -9.1389 2.4407 2.4407 2.4435 2.4435 2.8579 2.8579 2.8750 2.8750 3.1765 3.1765 3.1941 3.1941 3.2533 3.2533 3.2553 3.2553 3.8761 3.8761 3.8937 3.8937 4.3463 4.3463 4.3492 4.3492 4.7955 4.7955 4.8129 4.8129 4.9816 4.9816 4.9861 4.9861 5.4004 5.4004 5.4057 5.4057 5.5458 5.5458 5.5594 5.5594 5.7909 5.7909 5.7922 5.7922 6.2277 6.2277 6.2385 6.2385 11.2441 11.2441 11.2976 11.2976 11.5998 11.5998 11.6126 11.6126 11.8861 11.8861 11.9150 11.9150 k = 0.5000 0.5532 0.3572 ( 5686 PWs) bands (ev): -10.3057 -10.3057 -10.2939 -10.2939 -9.7448 -9.7448 -9.7412 -9.7412 -9.1749 -9.1749 -9.1621 -9.1621 -9.1543 -9.1543 -9.1391 -9.1391 2.4453 2.4453 2.4480 2.4480 2.8582 2.8582 2.8750 2.8750 3.1630 3.1630 3.1784 3.1784 3.2451 3.2451 3.2490 3.2490 3.8739 3.8739 3.8917 3.8917 4.3628 4.3628 4.3655 4.3655 4.7972 4.7972 4.8145 4.8145 4.9821 4.9821 4.9861 4.9861 5.3933 5.3933 5.3995 5.3995 5.5473 5.5473 5.5612 5.5612 5.7939 5.7939 5.7942 5.7942 6.2338 6.2338 6.2439 6.2439 11.2259 11.2259 11.2737 11.2737 11.6263 11.6263 11.6319 11.6319 11.8912 11.8912 11.9218 11.9218 k = 0.5000 0.5627 0.3456 ( 5690 PWs) bands (ev): -10.3037 -10.3037 -10.2918 -10.2918 -9.7455 -9.7455 -9.7421 -9.7421 -9.1763 -9.1763 -9.1633 -9.1633 -9.1544 -9.1544 -9.1393 -9.1393 2.4508 2.4508 2.4534 2.4534 2.8579 2.8579 2.8744 2.8744 3.1474 3.1474 3.1605 3.1605 3.2360 3.2360 3.2419 3.2419 3.8716 3.8716 3.8895 3.8895 4.3818 4.3818 4.3842 4.3842 4.7993 4.7993 4.8165 4.8165 4.9815 4.9815 4.9849 4.9849 5.3857 5.3857 5.3929 5.3929 5.5488 5.5488 5.5628 5.5628 5.7979 5.7979 5.7987 5.7987 6.2407 6.2407 6.2501 6.2501 11.2068 11.2068 11.2500 11.2500 11.6521 11.6521 11.6529 11.6529 11.8975 11.8975 11.9298 11.9298 k = 0.5000 0.5722 0.3341 ( 5686 PWs) bands (ev): -10.3013 -10.3013 -10.2893 -10.2893 -9.7463 -9.7463 -9.7431 -9.7431 -9.1779 -9.1779 -9.1647 -9.1647 -9.1545 -9.1545 -9.1395 -9.1395 2.4572 2.4572 2.4595 2.4595 2.8568 2.8568 2.8728 2.8728 3.1302 3.1302 3.1410 3.1410 3.2264 3.2264 3.2343 3.2343 3.8691 3.8691 3.8871 3.8871 4.4026 4.4026 4.4047 4.4047 4.8019 4.8019 4.8190 4.8190 4.9790 4.9790 4.9818 4.9818 5.3778 5.3778 5.3863 5.3863 5.5505 5.5505 5.5645 5.5645 5.8037 5.8037 5.8055 5.8055 6.2484 6.2484 6.2569 6.2569 11.1875 11.1875 11.2268 11.2268 11.6723 11.6723 11.6786 11.6786 11.9049 11.9049 11.9390 11.9390 k = 0.5000 0.5722 0.3341 ( 5686 PWs) bands (ev): -10.3013 -10.3013 -10.2893 -10.2893 -9.7463 -9.7463 -9.7431 -9.7431 -9.1779 -9.1779 -9.1647 -9.1647 -9.1545 -9.1545 -9.1395 -9.1395 2.4572 2.4572 2.4595 2.4595 2.8568 2.8568 2.8728 2.8728 3.1302 3.1302 3.1410 3.1410 3.2264 3.2264 3.2343 3.2343 3.8691 3.8691 3.8871 3.8871 4.4026 4.4026 4.4047 4.4047 4.8019 4.8019 4.8190 4.8190 4.9790 4.9790 4.9818 4.9818 5.3778 5.3778 5.3863 5.3863 5.5505 5.5505 5.5645 5.5645 5.8037 5.8037 5.8055 5.8055 6.2484 6.2484 6.2569 6.2569 11.1875 11.1875 11.2268 11.2268 11.6723 11.6723 11.6786 11.6786 11.9049 11.9049 11.9390 11.9390 k = 0.5000 0.5697 0.3181 ( 5676 PWs) bands (ev): -10.3009 -10.3009 -10.2891 -10.2891 -9.7450 -9.7450 -9.7420 -9.7420 -9.1835 -9.1835 -9.1691 -9.1691 -9.1500 -9.1500 -9.1364 -9.1364 2.4630 2.4630 2.4652 2.4652 2.8555 2.8555 2.8715 2.8715 3.1164 3.1164 3.1264 3.1264 3.2193 3.2193 3.2273 3.2273 3.8659 3.8659 3.8843 3.8843 4.4194 4.4194 4.4218 4.4218 4.8028 4.8028 4.8223 4.8223 4.9787 4.9787 4.9787 4.9787 5.3663 5.3663 5.3752 5.3752 5.5547 5.5547 5.5690 5.5690 5.8119 5.8119 5.8136 5.8136 6.2507 6.2507 6.2580 6.2580 11.1671 11.1671 11.2033 11.2033 11.6878 11.6878 11.6984 11.6984 11.9165 11.9165 11.9512 11.9512 k = 0.5000 0.5671 0.3021 ( 5676 PWs) bands (ev): -10.3007 -10.3007 -10.2891 -10.2891 -9.7431 -9.7431 -9.7404 -9.7404 -9.1904 -9.1904 -9.1755 -9.1755 -9.1446 -9.1446 -9.1318 -9.1318 2.4683 2.4683 2.4703 2.4703 2.8521 2.8521 2.8678 2.8678 3.1045 3.1045 3.1138 3.1138 3.2119 3.2119 3.2195 3.2195 3.8625 3.8625 3.8813 3.8813 4.4342 4.4342 4.4368 4.4368 4.8048 4.8048 4.8265 4.8265 4.9766 4.9766 4.9793 4.9793 5.3539 5.3539 5.3630 5.3630 5.5581 5.5581 5.5732 5.5732 5.8239 5.8239 5.8255 5.8255 6.2534 6.2534 6.2595 6.2595 11.1469 11.1469 11.1802 11.1802 11.6993 11.6993 11.7129 11.7129 11.9335 11.9335 11.9681 11.9681 k = 0.5000 0.5645 0.2862 ( 5674 PWs) bands (ev): -10.3007 -10.3007 -10.2894 -10.2894 -9.7405 -9.7405 -9.7381 -9.7381 -9.1980 -9.1980 -9.1828 -9.1828 -9.1390 -9.1390 -9.1267 -9.1267 2.4728 2.4728 2.4747 2.4747 2.8461 2.8461 2.8613 2.8613 3.0953 3.0953 3.1038 3.1038 3.2045 3.2045 3.2114 3.2114 3.8588 3.8588 3.8780 3.8780 4.4468 4.4468 4.4494 4.4494 4.8078 4.8078 4.8314 4.8314 4.9756 4.9756 4.9807 4.9807 5.3409 5.3409 5.3499 5.3499 5.5606 5.5606 5.5768 5.5768 5.8398 5.8398 5.8413 5.8413 6.2564 6.2564 6.2612 6.2612 11.1271 11.1271 11.1579 11.1579 11.7068 11.7068 11.7222 11.7222 11.9550 11.9550 11.9888 11.9888 k = 0.5000 0.5620 0.2702 ( 5672 PWs) bands (ev): -10.3008 -10.3008 -10.2899 -10.2899 -9.7373 -9.7373 -9.7352 -9.7352 -9.2059 -9.2059 -9.1906 -9.1906 -9.1333 -9.1333 -9.1215 -9.1215 2.4764 2.4764 2.4782 2.4782 2.8375 2.8375 2.8516 2.8516 3.0888 3.0888 3.0966 3.0966 3.1977 3.1977 3.2034 3.2034 3.8549 3.8549 3.8744 3.8744 4.4569 4.4569 4.4593 4.4593 4.8114 4.8114 4.8360 4.8360 4.9763 4.9763 4.9832 4.9832 5.3275 5.3275 5.3362 5.3362 5.5620 5.5620 5.5793 5.5793 5.8595 5.8595 5.8611 5.8611 6.2597 6.2597 6.2633 6.2633 11.1078 11.1078 11.1363 11.1363 11.7110 11.7110 11.7272 11.7272 11.9792 11.9792 12.0120 12.0120 k = 0.5000 0.5594 0.2542 ( 5672 PWs) bands (ev): -10.3012 -10.3012 -10.2906 -10.2906 -9.7335 -9.7335 -9.7317 -9.7317 -9.2140 -9.2140 -9.1988 -9.1988 -9.1278 -9.1278 -9.1164 -9.1164 2.4791 2.4791 2.4808 2.4808 2.8263 2.8263 2.8391 2.8391 3.0848 3.0848 3.0921 3.0921 3.1922 3.1922 3.1963 3.1963 3.8507 3.8507 3.8705 3.8705 4.4645 4.4645 4.4665 4.4665 4.8146 4.8146 4.8391 4.8391 4.9796 4.9796 4.9873 4.9873 5.3141 5.3141 5.3225 5.3225 5.5622 5.5622 5.5806 5.5806 5.8827 5.8827 5.8844 5.8844 6.2632 6.2632 6.2657 6.2657 11.0893 11.0893 11.1157 11.1157 11.7123 11.7123 11.7288 11.7288 12.0039 12.0039 12.0356 12.0356 k = 0.5000 0.5569 0.2383 ( 5674 PWs) bands (ev): -10.3016 -10.3016 -10.2914 -10.2914 -9.7291 -9.7291 -9.7277 -9.7277 -9.2223 -9.2223 -9.2072 -9.2072 -9.1224 -9.1224 -9.1115 -9.1115 2.4805 2.4805 2.4823 2.4823 2.8129 2.8129 2.8243 2.8243 3.0823 3.0823 3.0896 3.0896 3.1891 3.1891 3.1909 3.1909 3.8460 3.8460 3.8661 3.8661 4.4698 4.4698 4.4713 4.4713 4.8163 4.8163 4.8393 4.8393 4.9863 4.9863 4.9936 4.9936 5.3013 5.3013 5.3093 5.3093 5.5612 5.5612 5.5807 5.5807 5.9088 5.9088 5.9108 5.9108 6.2672 6.2672 6.2687 6.2687 11.0715 11.0715 11.0959 11.0959 11.7115 11.7115 11.7277 11.7277 12.0269 12.0269 12.0576 12.0576 k = 0.5000 0.5543 0.2223 ( 5672 PWs) bands (ev): -10.3023 -10.3023 -10.2925 -10.2925 -9.7241 -9.7241 -9.7232 -9.7232 -9.2308 -9.2308 -9.2158 -9.2158 -9.1172 -9.1172 -9.1067 -9.1067 2.4808 2.4808 2.4826 2.4826 2.7977 2.7977 2.8076 2.8076 3.0802 3.0802 3.0881 3.0881 3.1881 3.1881 3.1891 3.1891 3.8409 3.8409 3.8613 3.8613 4.4730 4.4730 4.4738 4.4738 4.8154 4.8154 4.8359 4.8359 4.9964 4.9964 5.0023 5.0023 5.2896 5.2896 5.2971 5.2971 5.5591 5.5591 5.5794 5.5794 5.9372 5.9372 5.9395 5.9395 6.2716 6.2716 6.2723 6.2723 11.0546 11.0546 11.0772 11.0772 11.7089 11.7089 11.7247 11.7247 12.0463 12.0463 12.0763 12.0763 k = 0.5000 0.5518 0.2064 ( 5668 PWs) bands (ev): -10.3030 -10.3030 -10.2936 -10.2936 -9.7187 -9.7187 -9.7181 -9.7181 -9.2394 -9.2394 -9.2246 -9.2246 -9.1122 -9.1122 -9.1021 -9.1021 2.4797 2.4797 2.4817 2.4817 2.7815 2.7815 2.7898 2.7898 3.0778 3.0778 3.0867 3.0867 3.1888 3.1888 3.1931 3.1931 3.8354 3.8354 3.8559 3.8559 4.4743 4.4743 4.4743 4.4743 4.8117 4.8117 4.8290 4.8290 5.0090 5.0090 5.0130 5.0130 5.2798 5.2798 5.2869 5.2869 5.5559 5.5559 5.5769 5.5769 5.9670 5.9670 5.9697 5.9697 6.2768 6.2768 6.2769 6.2769 11.0387 11.0387 11.0595 11.0595 11.7050 11.7050 11.7202 11.7202 12.0622 12.0622 12.0913 12.0913 k = 0.5000 0.5492 0.1904 ( 5672 PWs) bands (ev): -10.3038 -10.3038 -10.2949 -10.2949 -9.7129 -9.7129 -9.7127 -9.7127 -9.2480 -9.2480 -9.2335 -9.2335 -9.1075 -9.1075 -9.0978 -9.0978 2.4773 2.4773 2.4795 2.4795 2.7647 2.7647 2.7716 2.7716 3.0745 3.0745 3.0845 3.0845 3.1936 3.1936 3.2010 3.2010 3.8294 3.8294 3.8500 3.8500 4.4728 4.4728 4.4737 4.4737 4.8054 4.8054 4.8194 4.8194 5.0226 5.0226 5.0246 5.0246 5.2727 5.2727 5.2793 5.2793 5.5519 5.5519 5.5734 5.5734 5.9970 5.9970 6.0004 6.0004 6.2828 6.2828 6.2830 6.2830 11.0236 11.0236 11.0429 11.0429 11.7000 11.7000 11.7145 11.7145 12.0757 12.0757 12.1038 12.1038 k = 0.5000 0.5466 0.1744 ( 5678 PWs) bands (ev): -10.3047 -10.3047 -10.2963 -10.2963 -9.7069 -9.7069 -9.7067 -9.7067 -9.2566 -9.2566 -9.2424 -9.2424 -9.1029 -9.1029 -9.0937 -9.0937 2.4736 2.4736 2.4760 2.4760 2.7478 2.7478 2.7534 2.7534 3.0705 3.0705 3.0813 3.0813 3.2025 3.2025 3.2127 3.2127 3.8229 3.8229 3.8435 3.8435 4.4696 4.4696 4.4713 4.4713 4.7970 4.7970 4.8080 4.8080 5.0357 5.0357 5.0359 5.0359 5.2689 5.2689 5.2750 5.2750 5.5472 5.5472 5.5690 5.5690 6.0261 6.0261 6.0305 6.0305 6.2905 6.2905 6.2908 6.2908 11.0095 11.0095 11.0273 11.0273 11.6942 11.6942 11.7080 11.7080 12.0881 12.0881 12.1150 12.1150 k = 0.5000 0.5441 0.1585 ( 5676 PWs) bands (ev): -10.3057 -10.3057 -10.2978 -10.2978 -9.7008 -9.7008 -9.7002 -9.7002 -9.2653 -9.2653 -9.2514 -9.2514 -9.0986 -9.0986 -9.0898 -9.0898 2.4685 2.4685 2.4712 2.4712 2.7312 2.7312 2.7356 2.7356 3.0661 3.0661 3.0774 3.0774 3.2150 3.2150 3.2275 3.2275 3.8159 3.8159 3.8366 3.8366 4.4644 4.4644 4.4670 4.4670 4.7874 4.7874 4.7959 4.7959 5.0456 5.0456 5.0467 5.0467 5.2688 5.2688 5.2746 5.2746 5.5422 5.5422 5.5641 5.5641 6.0532 6.0532 6.0587 6.0587 6.3007 6.3007 6.3007 6.3007 10.9964 10.9964 11.0128 11.0128 11.6878 11.6878 11.7008 11.7008 12.1000 12.1000 12.1257 12.1257 k = 0.5000 0.5415 0.1425 ( 5672 PWs) bands (ev): -10.3067 -10.3067 -10.2993 -10.2993 -9.6944 -9.6944 -9.6934 -9.6934 -9.2738 -9.2738 -9.2604 -9.2604 -9.0945 -9.0945 -9.0862 -9.0862 2.4623 2.4623 2.4652 2.4652 2.7152 2.7152 2.7185 2.7185 3.0616 3.0616 3.0732 3.0732 3.2305 3.2305 3.2449 3.2449 3.8085 3.8085 3.8291 3.8291 4.4573 4.4573 4.4607 4.4607 4.7775 4.7775 4.7837 4.7837 5.0531 5.0531 5.0551 5.0551 5.2722 5.2722 5.2778 5.2778 5.5373 5.5373 5.5592 5.5592 6.0771 6.0771 6.0838 6.0838 6.3134 6.3134 6.3139 6.3139 10.9843 10.9843 10.9992 10.9992 11.6810 11.6810 11.6932 11.6932 12.1118 12.1118 12.1363 12.1363 k = 0.5000 0.5390 0.1265 ( 5668 PWs) bands (ev): -10.3077 -10.3077 -10.3008 -10.3008 -9.6878 -9.6878 -9.6865 -9.6865 -9.2823 -9.2823 -9.2693 -9.2693 -9.0907 -9.0907 -9.0829 -9.0829 2.4551 2.4551 2.4582 2.4582 2.7000 2.7000 2.7024 2.7024 3.0575 3.0575 3.0690 3.0690 3.2483 3.2483 3.2643 3.2643 3.8006 3.8006 3.8211 3.8211 4.4482 4.4482 4.4522 4.4522 4.7678 4.7678 4.7722 4.7722 5.0583 5.0583 5.0607 5.0607 5.2784 5.2784 5.2840 5.2840 5.5332 5.5332 5.5547 5.5547 6.0969 6.0969 6.1049 6.1049 6.3293 6.3293 6.3304 6.3304 10.9731 10.9731 10.9867 10.9867 11.6740 11.6740 11.6853 11.6853 12.1238 12.1238 12.1469 12.1469 k = 0.5000 0.5364 0.1106 ( 5668 PWs) bands (ev): -10.3087 -10.3087 -10.3023 -10.3023 -9.6811 -9.6811 -9.6795 -9.6795 -9.2906 -9.2906 -9.2781 -9.2781 -9.0871 -9.0871 -9.0798 -9.0798 2.4470 2.4470 2.4504 2.4504 2.6858 2.6858 2.6874 2.6874 3.0538 3.0538 3.0651 3.0651 3.2681 3.2681 3.2852 3.2852 3.7922 3.7922 3.8126 3.8126 4.4371 4.4371 4.4416 4.4416 4.7590 4.7590 4.7619 4.7619 5.0617 5.0617 5.0642 5.0642 5.2857 5.2857 5.2915 5.2915 5.5305 5.5305 5.5514 5.5514 6.1123 6.1123 6.1214 6.1214 6.3484 6.3484 6.3502 6.3502 10.9628 10.9628 10.9752 10.9752 11.6669 11.6669 11.6774 11.6774 12.1358 12.1358 12.1575 12.1575 k = 0.5000 0.5339 0.0946 ( 5666 PWs) bands (ev): -10.3097 -10.3097 -10.3038 -10.3038 -9.6743 -9.6743 -9.6725 -9.6725 -9.2986 -9.2986 -9.2868 -9.2868 -9.0837 -9.0837 -9.0770 -9.0770 2.4384 2.4384 2.4419 2.4419 2.6727 2.6727 2.6736 2.6736 3.0507 3.0507 3.0616 3.0616 3.2893 3.2893 3.3073 3.3073 3.7835 3.7835 3.8037 3.8037 4.4240 4.4240 4.4289 4.4289 4.7513 4.7513 4.7531 4.7531 5.0642 5.0642 5.0663 5.0663 5.2927 5.2927 5.2988 5.2988 5.5298 5.5298 5.5499 5.5499 6.1235 6.1235 6.1334 6.1334 6.3703 6.3703 6.3725 6.3725 10.9535 10.9535 10.9647 10.9647 11.6599 11.6599 11.6695 11.6695 12.1479 12.1479 12.1681 12.1681 k = 0.5000 0.5313 0.0786 ( 5666 PWs) bands (ev): -10.3106 -10.3106 -10.3053 -10.3053 -9.6676 -9.6676 -9.6655 -9.6655 -9.3064 -9.3064 -9.2952 -9.2952 -9.0806 -9.0806 -9.0744 -9.0744 2.4295 2.4295 2.4330 2.4330 2.6606 2.6606 2.6611 2.6611 3.0483 3.0483 3.0587 3.0587 3.3115 3.3115 3.3302 3.3302 3.7744 3.7744 3.7943 3.7943 4.4093 4.4093 4.4144 4.4144 4.7450 4.7450 4.7460 4.7460 5.0663 5.0663 5.0679 5.0679 5.2977 5.2977 5.3043 5.3043 5.5318 5.5318 5.5507 5.5507 6.1311 6.1311 6.1415 6.1415 6.3940 6.3940 6.3965 6.3965 10.9450 10.9450 10.9551 10.9551 11.6532 11.6532 11.6619 11.6619 12.1599 12.1599 12.1785 12.1785 k = 0.5000 0.5287 0.0627 ( 5664 PWs) bands (ev): -10.3115 -10.3115 -10.3067 -10.3067 -9.6610 -9.6610 -9.6588 -9.6588 -9.3138 -9.3138 -9.3033 -9.3033 -9.0777 -9.0777 -9.0722 -9.0722 2.4205 2.4205 2.4240 2.4240 2.6497 2.6497 2.6497 2.6497 3.0465 3.0465 3.0562 3.0562 3.3344 3.3344 3.3535 3.3535 3.7649 3.7649 3.7846 3.7846 4.3934 4.3934 4.3985 4.3985 4.7400 4.7400 4.7404 4.7404 5.0687 5.0687 5.0698 5.0698 5.2997 5.2997 5.3069 5.3069 5.5367 5.5367 5.5542 5.5542 6.1359 6.1359 6.1465 6.1465 6.4184 6.4184 6.4210 6.4210 10.9375 10.9375 10.9464 10.9464 11.6468 11.6468 11.6546 11.6546 12.1716 12.1716 12.1885 12.1885 k = 0.5000 0.5262 0.0467 ( 5666 PWs) bands (ev): -10.3123 -10.3123 -10.3080 -10.3080 -9.6546 -9.6546 -9.6523 -9.6523 -9.3208 -9.3208 -9.3111 -9.3111 -9.0751 -9.0751 -9.0701 -9.0701 2.4118 2.4118 2.4151 2.4151 2.6396 2.6396 2.6399 2.6399 3.0453 3.0453 3.0542 3.0542 3.3576 3.3576 3.3769 3.3769 3.7552 3.7552 3.7744 3.7744 4.3768 4.3768 4.3817 4.3817 4.7361 4.7361 4.7362 4.7362 5.0719 5.0719 5.0722 5.0722 5.2984 5.2984 5.3060 5.3060 5.5443 5.5443 5.5602 5.5602 6.1386 6.1386 6.1490 6.1490 6.4426 6.4426 6.4451 6.4451 10.9308 10.9308 10.9387 10.9387 11.6409 11.6409 11.6478 11.6478 12.1829 12.1829 12.1981 12.1981 k = 0.5000 0.5236 0.0307 ( 5666 PWs) bands (ev): -10.3130 -10.3130 -10.3093 -10.3093 -9.6486 -9.6486 -9.6463 -9.6463 -9.3272 -9.3272 -9.3184 -9.3184 -9.0728 -9.0728 -9.0684 -9.0684 2.4036 2.4036 2.4066 2.4066 2.6308 2.6308 2.6312 2.6312 3.0446 3.0446 3.0527 3.0527 3.3808 3.3808 3.3999 3.3999 3.7453 3.7453 3.7640 3.7640 4.3602 4.3602 4.3648 4.3648 4.7332 4.7332 4.7333 4.7333 5.0756 5.0756 5.0760 5.0760 5.2941 5.2941 5.3020 5.3020 5.5539 5.5539 5.5680 5.5680 6.1399 6.1399 6.1497 6.1497 6.4655 6.4655 6.4679 6.4679 10.9250 10.9250 10.9318 10.9318 11.6355 11.6355 11.6415 11.6415 12.1935 12.1935 12.2070 12.2070 k = 0.5000 0.5211 0.0148 ( 5670 PWs) bands (ev): -10.3136 -10.3136 -10.3104 -10.3104 -9.6429 -9.6429 -9.6407 -9.6407 -9.3329 -9.3329 -9.3252 -9.3252 -9.0707 -9.0707 -9.0669 -9.0669 2.3961 2.3961 2.3988 2.3988 2.6231 2.6231 2.6236 2.6236 3.0443 3.0443 3.0514 3.0514 3.4035 3.4035 3.4220 3.4220 3.7355 3.7355 3.7533 3.7533 4.3441 4.3441 4.3483 4.3483 4.7311 4.7311 4.7313 4.7313 5.0800 5.0800 5.0810 5.0810 5.2874 5.2874 5.2953 5.2953 5.5647 5.5647 5.5770 5.5770 6.1401 6.1401 6.1492 6.1492 6.4866 6.4866 6.4888 6.4888 10.9201 10.9201 10.9258 10.9258 11.6307 11.6307 11.6359 11.6359 12.2033 12.2033 12.2150 12.2150 k = 0.5000 0.5185-0.0012 ( 5666 PWs) bands (ev): -10.3141 -10.3141 -10.3114 -10.3114 -9.6378 -9.6378 -9.6358 -9.6358 -9.3379 -9.3379 -9.3312 -9.3312 -9.0689 -9.0689 -9.0657 -9.0657 2.3894 2.3894 2.3918 2.3918 2.6167 2.6167 2.6172 2.6172 3.0444 3.0444 3.0504 3.0504 3.4253 3.4253 3.4427 3.4427 3.7258 3.7258 3.7425 3.7425 4.3293 4.3293 4.3330 4.3330 4.7296 4.7296 4.7298 4.7298 5.0852 5.0852 5.0867 5.0867 5.2791 5.2791 5.2868 5.2868 5.5757 5.5757 5.5861 5.5861 6.1399 6.1399 6.1479 6.1479 6.5053 6.5053 6.5072 6.5072 10.9160 10.9160 10.9207 10.9207 11.6266 11.6266 11.6309 11.6309 12.2122 12.2122 12.2220 12.2220 k = 0.5000 0.5160-0.0171 ( 5666 PWs) bands (ev): -10.3144 -10.3144 -10.3123 -10.3123 -9.6334 -9.6334 -9.6316 -9.6316 -9.3420 -9.3420 -9.3365 -9.3365 -9.0674 -9.0674 -9.0648 -9.0648 2.3838 2.3838 2.3858 2.3858 2.6114 2.6114 2.6119 2.6119 3.0447 3.0447 3.0496 3.0496 3.4455 3.4455 3.4613 3.4613 3.7169 3.7169 3.7318 3.7318 4.3163 4.3163 4.3194 4.3194 4.7286 4.7286 4.7288 4.7288 5.0911 5.0911 5.0929 5.0929 5.2704 5.2704 5.2773 5.2773 5.5860 5.5860 5.5945 5.5945 6.1394 6.1394 6.1462 6.1462 6.5212 6.5212 6.5227 6.5227 10.9127 10.9127 10.9165 10.9165 11.6233 11.6233 11.6267 11.6267 12.2198 12.2198 12.2277 12.2277 k = 0.5000 0.5134-0.0331 ( 5666 PWs) bands (ev): -10.3147 -10.3147 -10.3131 -10.3131 -9.6297 -9.6297 -9.6283 -9.6283 -9.3452 -9.3452 -9.3410 -9.3410 -9.0661 -9.0661 -9.0642 -9.0642 2.3794 2.3794 2.3809 2.3809 2.6074 2.6074 2.6078 2.6078 3.0452 3.0452 3.0489 3.0489 3.4635 3.4635 3.4767 3.4767 3.7092 3.7092 3.7217 3.7217 4.3057 4.3057 4.3080 4.3080 4.7280 4.7280 4.7281 4.7281 5.0970 5.0970 5.0989 5.0989 5.2621 5.2621 5.2680 5.2680 5.5951 5.5951 5.6015 5.6015 6.1390 6.1390 6.1443 6.1443 6.5339 6.5339 6.5350 6.5350 10.9103 10.9103 10.9131 10.9131 11.6208 11.6208 11.6233 11.6233 12.2262 12.2262 12.2322 12.2322 k = 0.5000 0.5108-0.0491 ( 5664 PWs) bands (ev): -10.3148 -10.3148 -10.3137 -10.3137 -9.6270 -9.6270 -9.6260 -9.6260 -9.3473 -9.3473 -9.3444 -9.3444 -9.0651 -9.0651 -9.0638 -9.0638 2.3763 2.3763 2.3773 2.3773 2.6045 2.6045 2.6048 2.6048 3.0457 3.0457 3.0483 3.0483 3.4783 3.4783 3.4881 3.4881 3.7036 3.7036 3.7128 3.7128 4.2979 4.2979 4.2995 4.2995 4.7276 4.7276 4.7277 4.7277 5.1023 5.1023 5.1039 5.1039 5.2555 5.2555 5.2597 5.2597 5.6022 5.6022 5.6065 5.6065 6.1388 6.1388 6.1424 6.1424 6.5432 6.5432 6.5439 6.5439 10.9087 10.9087 10.9105 10.9105 11.6190 11.6190 11.6208 11.6208 12.2312 12.2312 12.2351 12.2351 k = 0.5000 0.5083-0.0650 ( 5660 PWs) bands (ev): -10.3147 -10.3147 -10.3142 -10.3142 -9.6252 -9.6252 -9.6247 -9.6247 -9.3483 -9.3483 -9.3468 -9.3468 -9.0644 -9.0644 -9.0637 -9.0637 2.3744 2.3744 2.3750 2.3750 2.6028 2.6028 2.6029 2.6029 3.0463 3.0463 3.0476 3.0476 3.4890 3.4890 3.4942 3.4942 3.7009 3.7009 3.7058 3.7058 4.2932 4.2932 4.2940 4.2940 4.7274 4.7274 4.7274 4.7274 5.1063 5.1063 5.1072 5.1072 5.2514 5.2514 5.2537 5.2537 5.6071 5.6071 5.6093 5.6093 6.1390 6.1390 6.1409 6.1409 6.5489 6.5489 6.5493 6.5493 10.9079 10.9079 10.9088 10.9088 11.6182 11.6182 11.6190 11.6190 12.2346 12.2346 12.2365 12.2365 k = 0.5000 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -9.6244 -9.6244 -9.6244 -9.6244 -9.3481 -9.3481 -9.3481 -9.3481 -9.0639 -9.0639 -9.0639 -9.0639 2.3740 2.3740 2.3740 2.3740 2.6023 2.6023 2.6023 2.6023 3.0470 3.0470 3.0470 3.0470 3.4945 3.4945 3.4945 3.4945 3.7016 3.7016 3.7016 3.7016 4.2919 4.2919 4.2919 4.2919 4.7273 4.7273 4.7273 4.7273 5.1080 5.1080 5.1080 5.1080 5.2508 5.2508 5.2508 5.2508 5.6095 5.6095 5.6095 5.6095 6.1397 6.1397 6.1397 6.1397 6.5509 6.5509 6.5509 6.5509 10.9079 10.9079 10.9079 10.9079 11.6182 11.6182 11.6182 11.6182 12.2364 12.2364 12.2364 12.2364 k = 0.5000 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -9.6244 -9.6244 -9.6244 -9.6244 -9.3481 -9.3481 -9.3481 -9.3481 -9.0639 -9.0639 -9.0639 -9.0639 2.3740 2.3740 2.3740 2.3740 2.6023 2.6023 2.6023 2.6023 3.0470 3.0470 3.0470 3.0470 3.4945 3.4945 3.4945 3.4945 3.7016 3.7016 3.7016 3.7016 4.2919 4.2919 4.2919 4.2919 4.7273 4.7273 4.7273 4.7273 5.1080 5.1080 5.1080 5.1080 5.2508 5.2508 5.2508 5.2508 5.6095 5.6095 5.6095 5.6095 6.1397 6.1397 6.1397 6.1397 6.5509 6.5509 6.5509 6.5509 10.9079 10.9079 10.9079 10.9079 11.6182 11.6182 11.6182 11.6182 12.2364 12.2364 12.2364 12.2364 k = 0.4839 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.3322 -10.3322 -10.2966 -10.2966 -9.6343 -9.6343 -9.6143 -9.6143 -9.3570 -9.3570 -9.3399 -9.3399 -9.0673 -9.0673 -9.0602 -9.0602 2.3636 2.3636 2.3775 2.3775 2.5914 2.5914 2.6160 2.6160 3.0012 3.0012 3.0957 3.0957 3.4724 3.4724 3.5074 3.5074 3.6982 3.6982 3.7133 3.7133 4.2861 4.2861 4.2984 4.2984 4.6867 4.6867 4.7659 4.7659 5.0959 5.0959 5.1168 5.1168 5.2180 5.2180 5.2910 5.2910 5.5616 5.5616 5.6583 5.6583 6.1354 6.1354 6.1464 6.1464 6.5432 6.5432 6.5592 6.5592 10.9071 10.9071 10.9099 10.9099 11.5841 11.5841 11.6507 11.6507 12.2094 12.2094 12.2604 12.2604 k = 0.4677 0.5057-0.0810 ( 5664 PWs) bands (ev): -10.3495 -10.3495 -10.2784 -10.2784 -9.6442 -9.6442 -9.6042 -9.6042 -9.3663 -9.3663 -9.3321 -9.3321 -9.0704 -9.0704 -9.0562 -9.0562 2.3486 2.3486 2.3718 2.3718 2.5867 2.5867 2.6290 2.6290 2.9590 2.9590 3.1466 3.1466 3.4403 3.4403 3.5140 3.5140 3.7043 3.7043 3.7293 3.7293 4.2806 4.2806 4.3064 4.3064 4.6457 4.6457 4.7997 4.7997 5.0835 5.0835 5.1178 5.1178 5.1982 5.1982 5.3354 5.3354 5.5160 5.5160 5.7070 5.7070 6.1337 6.1337 6.1554 6.1554 6.5360 6.5360 6.5680 6.5680 10.9075 10.9075 10.9131 10.9131 11.5488 11.5488 11.6815 11.6815 12.1802 12.1802 12.2803 12.2803 k = 0.4516 0.5057-0.0810 ( 5668 PWs) bands (ev): -10.3665 -10.3665 -10.2599 -10.2599 -9.6538 -9.6538 -9.5941 -9.5941 -9.3762 -9.3762 -9.3250 -9.3250 -9.0734 -9.0734 -9.0518 -9.0518 2.3310 2.3310 2.3560 2.3560 2.5899 2.5899 2.6380 2.6380 2.9213 2.9213 3.1995 3.1995 3.4001 3.4001 3.5180 3.5180 3.7178 3.7178 3.7459 3.7459 4.2750 4.2750 4.3167 4.3167 4.6052 4.6052 4.8245 4.8245 5.0730 5.0730 5.1109 5.1109 5.1934 5.1934 5.3820 5.3820 5.4741 5.4741 5.7549 5.7549 6.1347 6.1347 6.1666 6.1666 6.5291 6.5291 6.5775 6.5775 10.9089 10.9089 10.9176 10.9176 11.5125 11.5125 11.7106 11.7106 12.1495 12.1495 12.2948 12.2948 k = 0.4355 0.5057-0.0810 ( 5668 PWs) bands (ev): -10.3831 -10.3831 -10.2413 -10.2413 -9.6632 -9.6632 -9.5841 -9.5841 -9.3864 -9.3864 -9.3185 -9.3185 -9.0762 -9.0762 -9.0471 -9.0471 2.3118 2.3118 2.3317 2.3317 2.6001 2.6001 2.6406 2.6406 2.8892 2.8892 3.2536 3.2536 3.3544 3.3544 3.5218 3.5218 3.7345 3.7345 3.7617 3.7617 4.2691 4.2691 4.3300 4.3300 4.5659 4.5659 4.8362 4.8362 5.0659 5.0659 5.1035 5.1035 5.1978 5.1978 5.4296 5.4296 5.4381 5.4381 5.8011 5.8011 6.1386 6.1386 6.1800 6.1800 6.5226 6.5226 6.5878 6.5878 10.9113 10.9113 10.9232 10.9232 11.4756 11.4756 11.7378 11.7378 12.1176 12.1176 12.3023 12.3023 k = 0.4194 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.3993 -10.3993 -10.2226 -10.2226 -9.6722 -9.6722 -9.5743 -9.5743 -9.3970 -9.3970 -9.3124 -9.3124 -9.0789 -9.0789 -9.0421 -9.0421 2.2916 2.2916 2.3016 2.3016 2.6153 2.6153 2.6354 2.6354 2.8633 2.8633 3.2968 3.2968 3.3171 3.3171 3.5261 3.5261 3.7476 3.7476 3.7802 3.7802 4.2629 4.2629 4.3470 4.3470 4.5278 4.5278 4.8333 4.8333 5.0634 5.0634 5.0971 5.0971 5.2089 5.2089 5.4092 5.4092 5.4785 5.4785 5.8447 5.8447 6.1455 6.1455 6.1960 6.1960 6.5162 6.5162 6.5990 6.5990 10.9146 10.9146 10.9298 10.9298 11.4386 11.4386 11.7631 11.7631 12.0850 12.0850 12.3015 12.3015 k = 0.4032 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.4150 -10.4150 -10.2037 -10.2037 -9.6810 -9.6810 -9.5647 -9.5647 -9.4079 -9.4079 -9.3069 -9.3069 -9.0816 -9.0816 -9.0367 -9.0367 2.2664 2.2664 2.2724 2.2724 2.6215 2.6215 2.6347 2.6347 2.8436 2.8436 3.2506 3.2506 3.3680 3.3680 3.5299 3.5299 3.7533 3.7533 3.8042 3.8042 4.2561 4.2561 4.3676 4.3676 4.4911 4.4911 4.8189 4.8189 5.0658 5.0658 5.0857 5.0857 5.2287 5.2287 5.3895 5.3895 5.5272 5.5272 5.8849 5.8849 6.1554 6.1554 6.2146 6.2146 6.5099 6.5099 6.6110 6.6110 10.9187 10.9187 10.9372 10.9372 11.4020 11.4020 11.7866 11.7866 12.0521 12.0521 12.2919 12.2919 k = 0.3871 0.5057-0.0810 ( 5666 PWs) bands (ev): -10.4303 -10.4303 -10.1848 -10.1848 -9.6894 -9.6894 -9.5554 -9.5554 -9.4190 -9.4190 -9.3017 -9.3017 -9.0843 -9.0843 -9.0310 -9.0310 2.2308 2.2308 2.2514 2.2514 2.6020 2.6020 2.6554 2.6554 2.8287 2.8287 3.1975 3.1975 3.4251 3.4251 3.5313 3.5313 3.7550 3.7550 3.8309 3.8309 4.2488 4.2488 4.3915 4.3915 4.4560 4.4560 4.7980 4.7980 5.0638 5.0638 5.0743 5.0743 5.2571 5.2571 5.3784 5.3784 5.5758 5.5758 5.9209 5.9209 6.1682 6.1682 6.2363 6.2363 6.5038 6.5038 6.6239 6.6239 10.9236 10.9236 10.9450 10.9450 11.3668 11.3668 11.8082 11.8082 12.0192 12.0192 12.2744 12.2744 k = 0.3710 0.5057-0.0810 ( 5668 PWs) bands (ev): -10.4452 -10.4452 -10.1659 -10.1659 -9.6974 -9.6974 -9.5464 -9.5464 -9.4302 -9.4302 -9.2970 -9.2970 -9.0870 -9.0870 -9.0251 -9.0251 2.1936 2.1936 2.2310 2.2310 2.5778 2.5778 2.6777 2.6777 2.8168 2.8168 3.1438 3.1438 3.4827 3.4827 3.5273 3.5273 3.7571 3.7571 3.8579 3.8579 4.2411 4.2411 4.4179 4.4179 4.4230 4.4230 4.7751 4.7751 5.0350 5.0350 5.0862 5.0862 5.2891 5.2891 5.3762 5.3762 5.6241 5.6241 5.9522 5.9522 6.1837 6.1837 6.2611 6.2611 6.4976 6.4976 6.6377 6.6377 10.9290 10.9290 10.9523 10.9523 11.3339 11.3339 11.8280 11.8280 11.9868 11.9868 12.2505 12.2505 k = 0.3548 0.5057-0.0810 ( 5670 PWs) bands (ev): -10.4595 -10.4595 -10.1470 -10.1470 -9.7050 -9.7050 -9.5379 -9.5379 -9.4415 -9.4415 -9.2924 -9.2924 -9.0899 -9.0899 -9.0189 -9.0189 2.1560 2.1560 2.2110 2.2110 2.5511 2.5511 2.7008 2.7008 2.8065 2.8065 3.0904 3.0904 3.5136 3.5136 3.5423 3.5423 3.7625 3.7625 3.8835 3.8835 4.2328 4.2328 4.3923 4.3923 4.4465 4.4465 4.7528 4.7528 5.0009 5.0009 5.1028 5.1028 5.3153 5.3153 5.3866 5.3866 5.6720 5.6720 5.9783 5.9783 6.2015 6.2015 6.2890 6.2890 6.4914 6.4914 6.6525 6.6525 10.9350 10.9350 10.9581 10.9581 11.3047 11.3047 11.8457 11.8457 11.9555 11.9555 12.2219 12.2219 k = 0.3387 0.5057-0.0810 ( 5674 PWs) bands (ev): -10.4733 -10.4733 -10.1283 -10.1283 -9.7122 -9.7122 -9.5299 -9.5299 -9.4528 -9.4528 -9.2881 -9.2881 -9.0930 -9.0930 -9.0126 -9.0126 2.1187 2.1187 2.1914 2.1914 2.5236 2.5236 2.7241 2.7241 2.7969 2.7969 3.0381 3.0381 3.4932 3.4932 3.5994 3.5994 3.7719 3.7719 3.9063 3.9063 4.2239 4.2239 4.3654 4.3654 4.4761 4.4761 4.7332 4.7332 4.9649 4.9649 5.1231 5.1231 5.3276 5.3276 5.4140 5.4140 5.7195 5.7195 5.9994 5.9994 6.2211 6.2211 6.3197 6.3197 6.4851 6.4851 6.6682 6.6682 10.9410 10.9410 10.9613 10.9613 11.2811 11.2811 11.8605 11.8605 11.9265 11.9265 12.1904 12.1904 k = 0.3226 0.5057-0.0810 ( 5670 PWs) bands (ev): -10.4866 -10.4866 -10.1097 -10.1097 -9.7189 -9.7189 -9.5226 -9.5226 -9.4640 -9.4640 -9.2838 -9.2838 -9.0962 -9.0962 -9.0062 -9.0062 2.0820 2.0820 2.1724 2.1724 2.4962 2.4962 2.7466 2.7466 2.7875 2.7875 2.9880 2.9880 3.4646 3.4646 3.6559 3.6559 3.7835 3.7835 3.9255 3.9255 4.2145 4.2145 4.3435 4.3435 4.5063 4.5063 4.7172 4.7172 4.9294 4.9294 5.1462 5.1462 5.3306 5.3306 5.4516 5.4516 5.7665 5.7665 6.0158 6.0158 6.2421 6.2421 6.3524 6.3524 6.4787 6.4787 6.6848 6.6848 10.9457 10.9457 10.9615 10.9615 11.2650 11.2650 11.8672 11.8672 11.9054 11.9054 12.1572 12.1572 k = 0.3065 0.5057-0.0810 ( 5662 PWs) bands (ev): -10.4993 -10.4993 -10.0914 -10.0914 -9.7251 -9.7251 -9.5160 -9.5160 -9.4749 -9.4749 -9.2796 -9.2796 -9.0996 -9.0996 -8.9998 -8.9998 2.0464 2.0464 2.1540 2.1540 2.4696 2.4696 2.7663 2.7663 2.7785 2.7785 2.9421 2.9421 3.4302 3.4302 3.7100 3.7100 3.7951 3.7951 3.9409 3.9409 4.2042 4.2042 4.3284 4.3284 4.5366 4.5366 4.7052 4.7052 4.8966 4.8966 5.1710 5.1710 5.3298 5.3298 5.4919 5.4919 5.8131 5.8131 6.0282 6.0282 6.2640 6.2640 6.3863 6.3863 6.4724 6.4724 6.7022 6.7022 10.9427 10.9427 10.9636 10.9636 11.2579 11.2579 11.8534 11.8534 11.9047 11.9047 12.1232 12.1232 k = 0.2903 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.5115 -10.5115 -10.0735 -10.0735 -9.7308 -9.7308 -9.5103 -9.5103 -9.4852 -9.4852 -9.2753 -9.2753 -9.1032 -9.1032 -8.9935 -8.9935 2.0119 2.0119 2.1363 2.1363 2.4443 2.4443 2.7681 2.7681 2.7798 2.7798 2.9058 2.9058 3.3918 3.3918 3.7576 3.7576 3.8060 3.8060 3.9535 3.9535 4.1925 4.1925 4.3214 4.3214 4.5667 4.5667 4.6966 4.6966 4.8686 4.8686 5.1968 5.1968 5.3278 5.3278 5.5321 5.5321 5.8591 5.8591 6.0373 6.0373 6.2861 6.2861 6.4206 6.4206 6.4661 6.4661 6.7203 6.7203 10.9290 10.9290 10.9704 10.9704 11.2603 11.2603 11.8300 11.8300 11.9140 11.9140 12.0892 12.0892 k = 0.2742 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.5231 -10.5231 -10.0559 -10.0559 -9.7360 -9.7360 -9.5071 -9.5071 -9.4936 -9.4936 -9.2710 -9.2710 -9.1070 -9.1070 -8.9872 -8.9872 1.9788 1.9788 2.1193 2.1193 2.4205 2.4205 2.7591 2.7591 2.7734 2.7734 2.8901 2.8901 3.3509 3.3509 3.7849 3.7849 3.8241 3.8241 3.9669 3.9669 4.1789 4.1789 4.3237 4.3237 4.5965 4.5965 4.6897 4.6897 4.8482 4.8482 5.2226 5.2226 5.3254 5.3254 5.5707 5.5707 5.9042 5.9042 6.0441 6.0441 6.3079 6.3079 6.4523 6.4523 6.4623 6.4623 6.7390 6.7390 10.9081 10.9081 10.9792 10.9792 11.2712 11.2712 11.8062 11.8062 11.9240 11.9240 12.0557 12.0557 k = 0.2581 0.5057-0.0810 ( 5664 PWs) bands (ev): -10.5341 -10.5341 -10.0388 -10.0388 -9.7407 -9.7407 -9.5109 -9.5109 -9.4952 -9.4952 -9.2666 -9.2666 -9.1110 -9.1110 -8.9811 -8.9811 1.9473 1.9473 2.1031 2.1031 2.3986 2.3986 2.7440 2.7440 2.7522 2.7522 2.8978 2.8978 3.3085 3.3085 3.7862 3.7862 3.8482 3.8482 3.9874 3.9874 4.1627 4.1627 4.3355 4.3355 4.6257 4.6257 4.6823 4.6823 4.8376 4.8376 5.2476 5.2476 5.3232 5.3232 5.6067 5.6067 5.9474 5.9474 6.0503 6.0503 6.3286 6.3286 6.4532 6.4532 6.4889 6.4889 6.7581 6.7581 10.8828 10.8828 10.9890 10.9890 11.2891 11.2891 11.7838 11.7838 11.9330 11.9330 12.0235 12.0235 k = 0.2419 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.5445 -10.5445 -10.0222 -10.0222 -9.7449 -9.7449 -9.5194 -9.5194 -9.4925 -9.4925 -9.2620 -9.2620 -9.1152 -9.1152 -8.9752 -8.9752 1.9175 1.9175 2.0877 2.0877 2.3785 2.3785 2.7077 2.7077 2.7431 2.7431 2.9176 2.9176 3.2657 3.2657 3.7759 3.7759 3.8600 3.8600 4.0198 4.0198 4.1436 4.1436 4.3557 4.3557 4.6541 4.6541 4.6726 4.6726 4.8381 4.8381 5.2710 5.2710 5.3220 5.3220 5.6398 5.6398 5.9853 5.9853 6.0595 6.0595 6.3475 6.3475 6.4489 6.4489 6.5203 6.5203 6.7774 6.7774 10.8547 10.8547 10.9994 10.9994 11.3121 11.3121 11.7636 11.7636 11.9397 11.9397 11.9934 11.9934 k = 0.2258 0.5057-0.0810 ( 5658 PWs) bands (ev): -10.5542 -10.5542 -10.0064 -10.0064 -9.7486 -9.7486 -9.5284 -9.5284 -9.4893 -9.4893 -9.2574 -9.2574 -9.1196 -9.1196 -8.9695 -8.9695 1.8894 1.8894 2.0731 2.0731 2.3604 2.3604 2.6682 2.6682 2.7353 2.7353 2.9422 2.9422 3.2231 3.2231 3.7593 3.7593 3.8586 3.8586 4.0604 4.0604 4.1228 4.1228 4.3829 4.3829 4.6603 4.6603 4.6823 4.6823 4.8484 4.8484 5.2921 5.2921 5.3222 5.3222 5.6694 5.6694 6.0098 6.0098 6.0805 6.0805 6.3632 6.3632 6.4464 6.4464 6.5500 6.5500 6.7968 6.7968 10.8253 10.8253 11.0104 11.0104 11.3389 11.3389 11.7457 11.7457 11.9405 11.9405 11.9697 11.9697 k = 0.2097 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.5634 -10.5634 -9.9912 -9.9912 -9.7518 -9.7518 -9.5371 -9.5371 -9.4865 -9.4865 -9.2528 -9.2528 -9.1240 -9.1240 -8.9641 -8.9641 1.8632 1.8632 2.0595 2.0595 2.3443 2.3443 2.6291 2.6291 2.7283 2.7283 2.9688 2.9688 3.1813 3.1813 3.7385 3.7385 3.8492 3.8492 4.0833 4.0833 4.1210 4.1210 4.4151 4.4151 4.6478 4.6478 4.7092 4.7092 4.8656 4.8656 5.3100 5.3100 5.3252 5.3252 5.6952 5.6952 6.0182 6.0182 6.1159 6.1159 6.3741 6.3741 6.4475 6.4475 6.5774 6.5774 6.8160 6.8160 10.7956 10.7956 11.0218 11.0218 11.3682 11.3682 11.7303 11.7303 11.9254 11.9254 11.9624 11.9624 k = 0.1935 0.5057-0.0810 ( 5664 PWs) bands (ev): -10.5719 -10.5719 -9.9769 -9.9769 -9.7546 -9.7546 -9.5453 -9.5453 -9.4841 -9.4841 -9.2482 -9.2482 -9.1286 -9.1286 -8.9590 -8.9590 1.8389 1.8389 2.0467 2.0467 2.3301 2.3301 2.5914 2.5914 2.7219 2.7219 2.9964 2.9964 3.1409 3.1409 3.7151 3.7151 3.8356 3.8356 4.0600 4.0600 4.1637 4.1637 4.4506 4.4506 4.6358 4.6358 4.7353 4.7353 4.8867 4.8867 5.3226 5.3226 5.3332 5.3332 5.7169 5.7169 6.0186 6.0186 6.1581 6.1581 6.3794 6.3794 6.4529 6.4529 6.6022 6.6022 6.8348 6.8348 10.7664 10.7664 11.0336 11.0336 11.3989 11.3989 11.7175 11.7175 11.9030 11.9030 11.9635 11.9635 k = 0.1774 0.5057-0.0810 ( 5664 PWs) bands (ev): -10.5798 -10.5798 -9.9635 -9.9635 -9.7570 -9.7570 -9.5529 -9.5529 -9.4822 -9.4822 -9.2436 -9.2436 -9.1331 -9.1331 -8.9542 -8.9542 1.8165 1.8165 2.0349 2.0349 2.3179 2.3179 2.5558 2.5558 2.7163 2.7163 3.0240 3.0240 3.1027 3.1027 3.6905 3.6905 3.8198 3.8198 4.0293 4.0293 4.2112 4.2112 4.4880 4.4880 4.6249 4.6249 4.7604 4.7604 4.9093 4.9093 5.3318 5.3318 5.3447 5.3447 5.7342 5.7342 6.0156 6.0156 6.2023 6.2023 6.3798 6.3798 6.4619 6.4619 6.6240 6.6240 6.8530 6.8530 10.7382 10.7382 11.0455 11.0455 11.4299 11.4299 11.7073 11.7073 11.8820 11.8820 11.9648 11.9648 k = 0.1613 0.5057-0.0810 ( 5668 PWs) bands (ev): -10.5870 -10.5870 -9.9511 -9.9511 -9.7590 -9.7590 -9.5597 -9.5597 -9.4807 -9.4807 -9.2393 -9.2393 -9.1376 -9.1376 -8.9498 -8.9498 1.7961 1.7961 2.0240 2.0240 2.3076 2.3076 2.5225 2.5225 2.7114 2.7114 3.0455 3.0455 3.0728 3.0728 3.6656 3.6656 3.8032 3.8032 3.9961 3.9961 4.2580 4.2580 4.5258 4.5258 4.6156 4.6156 4.7844 4.7844 4.9314 4.9314 5.3423 5.3423 5.3557 5.3557 5.7471 5.7471 6.0111 6.0111 6.2469 6.2469 6.3773 6.3773 6.4726 6.4726 6.6426 6.6426 6.8704 6.8704 10.7114 10.7114 11.0575 11.0575 11.4601 11.4601 11.6997 11.6997 11.8643 11.8643 11.9651 11.9651 k = 0.1452 0.5057-0.0810 ( 5668 PWs) bands (ev): -10.5935 -10.5935 -9.9397 -9.9397 -9.7606 -9.7606 -9.5659 -9.5659 -9.4795 -9.4795 -9.2351 -9.2351 -9.1419 -9.1419 -8.9458 -8.9458 1.7776 1.7776 2.0141 2.0141 2.2990 2.2990 2.4919 2.4919 2.7072 2.7072 3.0252 3.0252 3.0872 3.0872 3.6413 3.6413 3.7866 3.7866 3.9616 3.9616 4.3028 4.3028 4.5628 4.5628 4.6081 4.6081 4.8072 4.8072 4.9514 4.9514 5.3532 5.3532 5.3674 5.3674 5.7552 5.7552 6.0058 6.0058 6.2909 6.2909 6.3735 6.3735 6.4834 6.4834 6.6579 6.6579 6.8868 6.8868 10.6863 10.6863 11.0693 11.0693 11.4882 11.4882 11.6945 11.6945 11.8512 11.8512 11.9641 11.9641 k = 0.1290 0.5057-0.0810 ( 5670 PWs) bands (ev): -10.5994 -10.5994 -9.9295 -9.9295 -9.7620 -9.7620 -9.5712 -9.5712 -9.4786 -9.4786 -9.2313 -9.2313 -9.1460 -9.1460 -8.9422 -8.9422 1.7611 1.7611 2.0052 2.0052 2.2920 2.2920 2.4641 2.4641 2.7037 2.7037 2.9942 2.9942 3.1146 3.1146 3.6182 3.6182 3.7708 3.7708 3.9267 3.9267 4.3449 4.3449 4.5933 4.5933 4.6070 4.6070 4.8287 4.8287 4.9685 4.9685 5.3603 5.3603 5.3843 5.3843 5.7587 5.7587 6.0002 6.0002 6.3336 6.3336 6.3696 6.3696 6.4936 6.4936 6.6697 6.6697 6.9021 6.9021 10.6633 10.6633 11.0807 11.0807 11.5130 11.5130 11.6915 11.6915 11.8435 11.8435 11.9618 11.9618 k = 0.1129 0.5057-0.0810 ( 5666 PWs) bands (ev): -10.6046 -10.6046 -9.9203 -9.9203 -9.7632 -9.7632 -9.5758 -9.5758 -9.4780 -9.4780 -9.2279 -9.2279 -9.1498 -9.1498 -8.9390 -8.9390 1.7467 1.7467 1.9972 1.9972 2.2865 2.2865 2.4392 2.4392 2.7007 2.7007 2.9652 2.9652 3.1424 3.1424 3.5967 3.5967 3.7561 3.7561 3.8920 3.8920 4.3839 4.3839 4.5937 4.5937 4.6351 4.6351 4.8488 4.8488 4.9823 4.9823 5.3632 5.3632 5.4069 5.4069 5.7574 5.7574 5.9946 5.9946 6.3626 6.3626 6.3780 6.3780 6.5027 6.5027 6.6779 6.6779 6.9159 6.9159 10.6425 10.6425 11.0915 11.0915 11.5333 11.5333 11.6906 11.6906 11.8422 11.8422 11.9584 11.9584 k = 0.0968 0.5057-0.0810 ( 5666 PWs) bands (ev): -10.6091 -10.6091 -9.9124 -9.9124 -9.7641 -9.7641 -9.5796 -9.5796 -9.4775 -9.4775 -9.2248 -9.2248 -9.1532 -9.1532 -8.9362 -8.9362 1.7342 1.7342 1.9903 1.9903 2.2822 2.2822 2.4174 2.4174 2.6984 2.6984 2.9390 2.9390 3.1695 3.1695 3.5775 3.5775 3.7429 3.7429 3.8583 3.8583 4.4192 4.4192 4.5897 4.5897 4.6655 4.6655 4.8671 4.8671 4.9928 4.9928 5.3635 5.3635 5.4332 5.4332 5.7517 5.7517 5.9894 5.9894 6.3604 6.3604 6.4160 6.4160 6.5106 6.5106 6.6824 6.6824 6.9283 6.9283 10.6242 10.6242 11.1014 11.1014 11.5483 11.5483 11.6913 11.6913 11.8474 11.8474 11.9543 11.9543 k = 0.0806 0.5057-0.0810 ( 5662 PWs) bands (ev): -10.6130 -10.6130 -9.9056 -9.9056 -9.7649 -9.7649 -9.5826 -9.5826 -9.4772 -9.4772 -9.2223 -9.2223 -9.1561 -9.1561 -8.9338 -8.9338 1.7236 1.7236 1.9845 1.9845 2.2791 2.2791 2.3988 2.3988 2.6966 2.6966 2.9162 2.9162 3.1950 3.1950 3.5607 3.5607 3.7316 3.7316 3.8266 3.8266 4.4503 4.4503 4.5863 4.5863 4.6926 4.6926 4.8836 4.8836 5.0005 5.0005 5.3619 5.3619 5.4623 5.4623 5.7417 5.7417 5.9846 5.9846 6.3574 6.3574 6.4528 6.4528 6.5173 6.5173 6.6834 6.6834 6.9390 6.9390 10.6085 10.6085 11.1104 11.1104 11.5583 11.5583 11.6932 11.6932 11.8585 11.8585 11.9498 11.9498 k = 0.0645 0.5057-0.0810 ( 5652 PWs) bands (ev): -10.6161 -10.6161 -9.9001 -9.9001 -9.7656 -9.7656 -9.5850 -9.5850 -9.4770 -9.4770 -9.2203 -9.2203 -9.1585 -9.1585 -8.9319 -8.9319 1.7150 1.7150 1.9797 1.9797 2.2769 2.2769 2.3835 2.3835 2.6952 2.6952 2.8971 2.8971 3.2182 3.2182 3.5466 3.5466 3.7223 3.7223 3.7977 3.7977 4.4767 4.4767 4.5836 4.5836 4.7156 4.7156 4.8978 4.8978 5.0059 5.0059 5.3591 5.3591 5.4927 5.4927 5.7279 5.7279 5.9806 5.9806 6.3549 6.3549 6.4865 6.4865 6.5228 6.5228 6.6810 6.6810 6.9479 6.9479 10.5955 10.5955 11.1180 11.1180 11.5642 11.5642 11.6958 11.6958 11.8737 11.8737 11.9454 11.9454 k = 0.0484 0.5057-0.0810 ( 5654 PWs) bands (ev): -10.6185 -10.6185 -9.8958 -9.8958 -9.7661 -9.7661 -9.5868 -9.5868 -9.4769 -9.4769 -9.2187 -9.2187 -9.1604 -9.1604 -8.9304 -8.9304 1.7083 1.7083 1.9759 1.9759 2.2754 2.2754 2.3715 2.3715 2.6942 2.6942 2.8820 2.8820 3.2381 3.2381 3.5356 3.5356 3.7154 3.7154 3.7726 3.7726 4.4979 4.4979 4.5814 4.5814 4.7340 4.7340 4.9095 4.9095 5.0095 5.0095 5.3560 5.3560 5.5233 5.5233 5.7108 5.7108 5.9773 5.9773 6.3530 6.3530 6.5152 6.5152 6.5283 6.5283 6.6757 6.6757 6.9550 6.9550 10.5852 10.5852 11.1242 11.1242 11.5671 11.5671 11.6985 11.6985 11.8903 11.8903 11.9419 11.9419 k = 0.0323 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.6203 -10.6203 -9.8927 -9.8927 -9.7665 -9.7665 -9.5880 -9.5880 -9.4768 -9.4768 -9.2177 -9.2177 -9.1618 -9.1618 -8.9293 -8.9293 1.7036 1.7036 1.9732 1.9732 2.2744 2.2744 2.3628 2.3628 2.6935 2.6935 2.8710 2.8710 3.2535 3.2535 3.5276 3.5276 3.7110 3.7110 3.7527 3.7527 4.5135 4.5135 4.5798 4.5798 4.7473 4.7473 4.9181 4.9181 5.0119 5.0119 5.3531 5.3531 5.5522 5.5522 5.6918 5.6918 5.9749 5.9749 6.3516 6.3516 6.5273 6.5273 6.5441 6.5441 6.6685 6.6685 6.9601 6.9601 10.5779 10.5779 11.1287 11.1287 11.5683 11.5683 11.7009 11.7009 11.9049 11.9049 11.9403 11.9403 k = 0.0161 0.5057-0.0810 ( 5656 PWs) bands (ev): -10.6213 -10.6213 -9.8909 -9.8909 -9.7668 -9.7668 -9.5886 -9.5886 -9.4768 -9.4768 -9.2171 -9.2171 -9.1626 -9.1626 -8.9286 -8.9286 1.7007 1.7007 1.9716 1.9716 2.2739 2.2739 2.3577 2.3577 2.6931 2.6931 2.8643 2.8643 3.2634 3.2634 3.5229 3.5229 3.7091 3.7091 3.7394 3.7394 4.5231 4.5231 4.5788 4.5788 4.7554 4.7554 4.9234 4.9234 5.0132 5.0132 5.3510 5.3510 5.5763 5.5763 5.6739 5.6739 5.9734 5.9734 6.3508 6.3508 6.5298 6.5298 6.5612 6.5612 6.6615 6.6615 6.9632 6.9632 10.5734 10.5734 11.1315 11.1315 11.5686 11.5686 11.7025 11.7025 11.9139 11.9139 11.9413 11.9413 k = 0.0000 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.6217 -10.6217 -9.8902 -9.8902 -9.7669 -9.7669 -9.5889 -9.5889 -9.4768 -9.4768 -9.2169 -9.2169 -9.1628 -9.1628 -8.9284 -8.9284 1.6998 1.6998 1.9711 1.9711 2.2738 2.2738 2.3559 2.3559 2.6930 2.6930 2.8621 2.8621 3.2668 3.2668 3.5213 3.5213 3.7087 3.7087 3.7345 3.7345 4.5264 4.5264 4.5785 4.5785 4.7581 4.7581 4.9252 4.9252 5.0136 5.0136 5.3503 5.3503 5.5870 5.5870 5.6653 5.6653 5.9730 5.9730 6.3506 6.3506 6.5304 6.5304 6.5678 6.5678 6.6584 6.6584 6.9642 6.9642 10.5719 10.5719 11.1324 11.1324 11.5687 11.5687 11.7031 11.7031 11.9164 11.9164 11.9425 11.9425 k = 0.0000 0.5057-0.0810 ( 5660 PWs) bands (ev): -10.6217 -10.6217 -9.8902 -9.8902 -9.7669 -9.7669 -9.5889 -9.5889 -9.4768 -9.4768 -9.2169 -9.2169 -9.1628 -9.1628 -8.9284 -8.9284 1.6998 1.6998 1.9711 1.9711 2.2738 2.2738 2.3559 2.3559 2.6930 2.6930 2.8621 2.8621 3.2668 3.2668 3.5213 3.5213 3.7087 3.7087 3.7345 3.7345 4.5264 4.5264 4.5785 4.5785 4.7581 4.7581 4.9252 4.9252 5.0136 5.0136 5.3503 5.3503 5.5870 5.5870 5.6653 5.6653 5.9730 5.9730 6.3506 6.3506 6.5304 6.5304 6.5678 6.5678 6.6584 6.6584 6.9642 6.9642 10.5719 10.5719 11.1324 11.1324 11.5687 11.5687 11.7031 11.7031 11.9164 11.9164 11.9425 11.9425 k = 0.0000 0.5083-0.0650 ( 5661 PWs) bands (ev): -10.6212 -10.6212 -9.8907 -9.8907 -9.7664 -9.7664 -9.5888 -9.5888 -9.4768 -9.4768 -9.2169 -9.2169 -9.1630 -9.1630 -8.9289 -8.9289 1.7016 1.7016 1.9721 1.9721 2.2735 2.2735 2.3554 2.3554 2.6919 2.6919 2.8630 2.8630 3.2697 3.2697 3.5200 3.5200 3.7091 3.7091 3.7354 3.7354 4.5238 4.5238 4.5777 4.5777 4.7565 4.7565 4.9260 4.9260 5.0147 5.0147 5.3502 5.3502 5.5853 5.5853 5.6648 5.6648 5.9741 5.9741 6.3491 6.3491 6.5305 6.5305 6.5673 6.5673 6.6580 6.6580 6.9638 6.9638 10.5729 10.5729 11.1322 11.1322 11.5661 11.5661 11.7034 11.7034 11.9176 11.9176 11.9436 11.9436 k = 0.0000 0.5108-0.0491 ( 5660 PWs) bands (ev): -10.6197 -10.6197 -9.8923 -9.8923 -9.7652 -9.7652 -9.5884 -9.5884 -9.4770 -9.4770 -9.2168 -9.2168 -9.1637 -9.1637 -8.9302 -8.9302 1.7071 1.7071 1.9751 1.9751 2.2729 2.2729 2.3538 2.3538 2.6890 2.6890 2.8655 2.8655 3.2784 3.2784 3.5164 3.5164 3.7102 3.7102 3.7380 3.7380 4.5162 4.5162 4.5754 4.5754 4.7518 4.7518 4.9284 4.9284 5.0179 5.0179 5.3500 5.3500 5.5803 5.5803 5.6632 5.6632 5.9775 5.9775 6.3448 6.3448 6.5308 6.5308 6.5657 6.5657 6.6567 6.6567 6.9625 6.9625 10.5756 10.5756 11.1314 11.1314 11.5585 11.5585 11.7043 11.7043 11.9208 11.9208 11.9469 11.9469 k = 0.0000 0.5134-0.0331 ( 5655 PWs) bands (ev): -10.6172 -10.6172 -9.8948 -9.8948 -9.7632 -9.7632 -9.5879 -9.5879 -9.4774 -9.4774 -9.2168 -9.2168 -9.1647 -9.1647 -8.9325 -8.9325 1.7162 1.7162 1.9802 1.9802 2.2717 2.2717 2.3512 2.3512 2.6845 2.6845 2.8698 2.8698 3.2922 3.2922 3.5105 3.5105 3.7118 3.7118 3.7422 3.7422 4.5039 4.5039 4.5717 4.5717 4.7438 4.7438 4.9324 4.9324 5.0233 5.0233 5.3496 5.3496 5.5723 5.5723 5.6606 5.6606 5.9830 5.9830 6.3377 6.3377 6.5313 6.5313 6.5630 6.5630 6.6545 6.6545 6.9604 6.9604 10.5802 10.5802 11.1301 11.1301 11.5462 11.5462 11.7060 11.7060 11.9260 11.9260 11.9523 11.9523 k = 0.0000 0.5160-0.0171 ( 5656 PWs) bands (ev): -10.6138 -10.6138 -9.8984 -9.8984 -9.7603 -9.7603 -9.5871 -9.5871 -9.4778 -9.4778 -9.2168 -9.2168 -9.1661 -9.1661 -8.9356 -8.9356 1.7290 1.7290 1.9872 1.9872 2.2701 2.2701 2.3476 2.3476 2.6792 2.6792 2.8756 2.8756 3.3106 3.3106 3.5028 3.5028 3.7137 3.7137 3.7482 3.7482 4.4873 4.4873 4.5666 4.5666 4.7322 4.7322 4.9376 4.9376 5.0310 5.0310 5.3489 5.3489 5.5616 5.5616 5.6570 5.6570 5.9902 5.9902 6.3279 6.3279 6.5318 6.5318 6.5591 6.5591 6.6514 6.6514 6.9576 6.9576 10.5864 10.5864 11.1284 11.1284 11.5297 11.5297 11.7085 11.7085 11.9329 11.9329 11.9595 11.9595 k = 0.0000 0.5185-0.0012 ( 5643 PWs) bands (ev): -10.6093 -10.6093 -9.9031 -9.9031 -9.7566 -9.7566 -9.5861 -9.5861 -9.4784 -9.4784 -9.2167 -9.2167 -9.1679 -9.1679 -8.9396 -8.9396 1.7452 1.7452 1.9963 1.9963 2.2677 2.2677 2.3430 2.3430 2.6736 2.6736 2.8828 2.8828 3.3324 3.3324 3.4938 3.4938 3.7155 3.7155 3.7560 3.7560 4.4670 4.4670 4.5604 4.5604 4.7169 4.7169 4.9439 4.9439 5.0410 5.0410 5.3477 5.3477 5.5486 5.5486 5.6526 5.6526 5.9989 5.9989 6.3157 6.3157 6.5325 6.5325 6.5541 6.5541 6.6475 6.6475 6.9539 6.9539 10.5942 10.5942 11.1264 11.1264 11.5095 11.5095 11.7121 11.7121 11.9413 11.9413 11.9681 11.9681 k = 0.0000 0.5211 0.0148 ( 5645 PWs) bands (ev): -10.6039 -10.6039 -9.9087 -9.9087 -9.7522 -9.7522 -9.5849 -9.5849 -9.4791 -9.4791 -9.2167 -9.2167 -9.1700 -9.1700 -8.9445 -8.9445 1.7650 1.7650 2.0074 2.0074 2.2647 2.2647 2.3375 2.3375 2.6685 2.6685 2.8914 2.8914 3.3565 3.3565 3.4838 3.4838 3.7170 3.7170 3.7658 3.7658 4.4436 4.4436 4.5531 4.5531 4.6976 4.6976 4.9512 4.9512 5.0530 5.0530 5.3460 5.3460 5.5339 5.5339 5.6475 5.6475 6.0086 6.0086 6.3012 6.3012 6.5328 6.5328 6.5481 6.5481 6.6427 6.6427 6.9494 6.9494 10.6035 10.6035 11.1243 11.1243 11.4860 11.4860 11.7169 11.7169 11.9508 11.9508 11.9781 11.9781 k = 0.0000 0.5236 0.0307 ( 5634 PWs) bands (ev): -10.5976 -10.5976 -9.9153 -9.9153 -9.7470 -9.7470 -9.5834 -9.5834 -9.4800 -9.4800 -9.2167 -9.2167 -9.1724 -9.1724 -8.9502 -8.9502 1.7883 1.7883 2.0206 2.0206 2.2610 2.2610 2.3313 2.3313 2.6644 2.6644 2.9011 2.9011 3.3815 3.3815 3.4736 3.4736 3.7177 3.7177 3.7778 3.7778 4.4176 4.4176 4.5451 4.5451 4.6745 4.6745 4.9593 4.9593 5.0669 5.0669 5.3435 5.3435 5.5179 5.5179 5.6419 5.6419 6.0192 6.0192 6.2847 6.2847 6.5316 6.5316 6.5424 6.5424 6.6371 6.6371 6.9442 6.9442 10.6140 10.6140 11.1222 11.1222 11.4599 11.4599 11.7229 11.7229 11.9613 11.9613 11.9891 11.9891 k = 0.0000 0.5262 0.0467 ( 5637 PWs) bands (ev): -10.5903 -10.5903 -9.9230 -9.9230 -9.7410 -9.7410 -9.5818 -9.5818 -9.4809 -9.4809 -9.2168 -9.2168 -9.1750 -9.1750 -8.9567 -8.9567 1.8149 1.8149 2.0358 2.0358 2.2564 2.2564 2.3242 2.3242 2.6619 2.6619 2.9118 2.9118 3.4050 3.4050 3.4646 3.4646 3.7175 3.7175 3.7923 3.7923 4.3894 4.3894 4.5366 4.5366 4.6475 4.6475 4.9683 4.9683 5.0824 5.0824 5.3402 5.3402 5.5009 5.5009 5.6358 5.6358 6.0302 6.0302 6.2663 6.2663 6.5256 6.5256 6.5401 6.5401 6.6306 6.6306 6.9382 6.9382 10.6256 10.6256 11.1203 11.1203 11.4315 11.4315 11.7304 11.7304 11.9725 11.9725 12.0009 12.0009 k = 0.0000 0.5287 0.0627 ( 5636 PWs) bands (ev): -10.5821 -10.5821 -9.9317 -9.9317 -9.7343 -9.7343 -9.5799 -9.5799 -9.4821 -9.4821 -9.2170 -9.2170 -9.1777 -9.1777 -8.9640 -8.9640 1.8447 1.8447 2.0530 2.0530 2.2511 2.2511 2.3165 2.3165 2.6614 2.6614 2.9234 2.9234 3.4206 3.4206 3.4622 3.4622 3.7161 3.7161 3.8098 3.8098 4.3596 4.3596 4.5279 4.5279 4.6168 4.6168 4.9781 4.9781 5.0992 5.0992 5.3360 5.3360 5.4833 5.4833 5.6294 5.6294 6.0417 6.0417 6.2461 6.2461 6.5155 6.5155 6.5406 6.5406 6.6233 6.6233 6.9314 6.9314 10.6379 10.6379 11.1189 11.1189 11.4014 11.4014 11.7394 11.7394 11.9843 11.9843 12.0134 12.0134 k = 0.0000 0.5313 0.0786 ( 5648 PWs) bands (ev): -10.5730 -10.5730 -9.9414 -9.9414 -9.7269 -9.7269 -9.5778 -9.5778 -9.4833 -9.4833 -9.2174 -9.2174 -9.1804 -9.1804 -8.9720 -8.9720 1.8776 1.8776 2.0723 2.0723 2.2451 2.2451 2.3080 2.3080 2.6631 2.6631 2.9355 2.9355 3.4201 3.4201 3.4737 3.4737 3.7134 3.7134 3.8304 3.8304 4.3285 4.3285 4.5195 4.5195 4.5825 4.5825 4.9886 4.9886 5.1167 5.1167 5.3310 5.3310 5.4656 5.4656 5.6230 5.6230 6.0532 6.0532 6.2245 6.2245 6.5033 6.5033 6.5419 6.5419 6.6152 6.6152 6.9238 6.9238 10.6508 10.6508 11.1182 11.1182 11.3698 11.3698 11.7499 11.7499 11.9964 11.9964 12.0263 12.0263 k = 0.0000 0.5339 0.0946 ( 5654 PWs) bands (ev): -10.5631 -10.5631 -9.9521 -9.9521 -9.7189 -9.7189 -9.5755 -9.5755 -9.4847 -9.4847 -9.2180 -9.2180 -9.1830 -9.1830 -8.9808 -8.9808 1.9134 1.9134 2.0938 2.0938 2.2385 2.2385 2.2990 2.2990 2.6672 2.6672 2.9481 2.9481 3.4105 3.4105 3.4911 3.4911 3.7092 3.7092 3.8545 3.8545 4.2966 4.2966 4.5116 4.5116 4.5451 4.5451 4.9998 4.9998 5.1344 5.1344 5.3252 5.3252 5.4480 5.4480 5.6165 5.6165 6.0648 6.0648 6.2014 6.2014 6.4897 6.4897 6.5436 6.5436 6.6063 6.6063 6.9154 6.9154 10.6640 10.6640 11.1183 11.1183 11.3371 11.3371 11.7621 11.7621 12.0086 12.0086 12.0393 12.0393 k = 0.0000 0.5364 0.1106 ( 5656 PWs) bands (ev): -10.5523 -10.5523 -9.9638 -9.9638 -9.7102 -9.7102 -9.5729 -9.5729 -9.4862 -9.4862 -9.2191 -9.2191 -9.1854 -9.1854 -8.9901 -8.9901 1.9520 1.9520 2.1173 2.1173 2.2315 2.2315 2.2895 2.2895 2.6739 2.6739 2.9609 2.9609 3.3980 3.3980 3.5072 3.5072 3.7035 3.7035 3.8821 3.8821 4.2643 4.2643 4.4999 4.4999 4.5098 4.5098 5.0115 5.0115 5.1516 5.1516 5.3190 5.3190 5.4309 5.4309 5.6103 5.6103 6.0764 6.0764 6.1771 6.1771 6.4748 6.4748 6.5454 6.5454 6.5966 6.5966 6.9062 6.9062 10.6772 10.6772 11.1196 11.1196 11.3038 11.3038 11.7760 11.7760 12.0206 12.0206 12.0517 12.0517 k = 0.0000 0.5390 0.1265 ( 5665 PWs) bands (ev): -10.5407 -10.5407 -9.9764 -9.9764 -9.7009 -9.7009 -9.5701 -9.5701 -9.4878 -9.4878 -9.2205 -9.2205 -9.1874 -9.1874 -9.0001 -9.0001 1.9930 1.9930 2.1431 2.1431 2.2243 2.2243 2.2795 2.2795 2.6830 2.6830 2.9737 2.9737 3.3843 3.3843 3.5199 3.5199 3.6963 3.6963 3.9127 3.9127 4.2320 4.2320 4.4596 4.4596 4.5020 4.5020 5.0237 5.0237 5.1672 5.1672 5.3131 5.3131 5.4145 5.4145 5.6044 5.6044 6.0877 6.0877 6.1518 6.1518 6.4589 6.4589 6.5472 6.5472 6.5864 6.5864 6.8961 6.8961 10.6902 10.6902 11.1221 11.1221 11.2701 11.2701 11.7915 11.7915 12.0321 12.0321 12.0629 12.0629 k = 0.0000 0.5415 0.1425 ( 5664 PWs) bands (ev): -10.5283 -10.5283 -9.9900 -9.9900 -9.6910 -9.6910 -9.5670 -9.5670 -9.4896 -9.4896 -9.2226 -9.2226 -9.1889 -9.1889 -9.0106 -9.0106 2.0361 2.0361 2.1711 2.1711 2.2173 2.2173 2.2691 2.2691 2.6946 2.6946 2.9862 2.9862 3.3697 3.3697 3.5285 3.5285 3.6875 3.6875 3.9460 3.9460 4.2001 4.2001 4.4141 4.4141 4.4996 4.4996 5.0363 5.0363 5.1797 5.1797 5.3085 5.3085 5.3993 5.3993 5.5990 5.5990 6.0986 6.0986 6.1259 6.1259 6.4421 6.4421 6.5489 6.5489 6.5757 6.5757 6.8852 6.8852 10.7026 10.7026 11.1257 11.1257 11.2369 11.2369 11.8086 11.8086 12.0424 12.0424 12.0723 12.0723 k = 0.0000 0.5441 0.1585 ( 5660 PWs) bands (ev): -10.5151 -10.5151 -10.0045 -10.0045 -9.6807 -9.6807 -9.5636 -9.5636 -9.4915 -9.4915 -9.2252 -9.2252 -9.1898 -9.1898 -9.0216 -9.0216 2.0806 2.0806 2.1987 2.1987 2.2134 2.2134 2.2586 2.2586 2.7085 2.7085 2.9982 2.9982 3.3543 3.3543 3.5326 3.5326 3.6770 3.6770 3.9810 3.9810 4.1686 4.1686 4.3669 4.3669 4.5003 4.5003 5.0489 5.0489 5.1872 5.1872 5.3067 5.3067 5.3855 5.3855 5.5944 5.5944 6.0970 6.0970 6.1115 6.1115 6.4247 6.4247 6.5495 6.5495 6.5656 6.5656 6.8734 6.8734 10.7144 10.7144 11.1294 11.1294 11.2055 11.2055 11.8273 11.8273 12.0504 12.0504 12.0800 12.0800 k = 0.0000 0.5466 0.1744 ( 5656 PWs) bands (ev): -10.5012 -10.5012 -10.0199 -10.0199 -9.6699 -9.6699 -9.5599 -9.5599 -9.4935 -9.4935 -9.2285 -9.2285 -9.1901 -9.1901 -9.0330 -9.0330 2.1258 2.1258 2.2009 2.2009 2.2360 2.2360 2.2502 2.2502 2.7248 2.7248 3.0093 3.0093 3.3380 3.3380 3.5323 3.5323 3.6648 3.6648 4.0168 4.0168 4.1377 4.1377 4.3189 4.3189 4.5047 4.5047 5.0616 5.0616 5.1880 5.1880 5.3085 5.3085 5.3735 5.3735 5.5908 5.5908 6.0703 6.0703 6.1214 6.1214 6.4069 6.4069 6.5455 6.5455 6.5597 6.5597 6.8608 6.8608 10.7253 10.7253 11.1285 11.1285 11.1810 11.1810 11.8476 11.8476 12.0545 12.0545 12.0876 12.0876 k = 0.0000 0.5492 0.1904 ( 5653 PWs) bands (ev): -10.4867 -10.4867 -10.0361 -10.0361 -9.6588 -9.6588 -9.5559 -9.5559 -9.4957 -9.4957 -9.2323 -9.2323 -9.1898 -9.1898 -9.0448 -9.0448 2.1687 2.1687 2.1976 2.1976 2.2345 2.2345 2.2779 2.2779 2.7434 2.7434 3.0192 3.0192 3.3208 3.3208 3.5278 3.5278 3.6509 3.6509 4.0522 4.0522 4.1068 4.1068 4.2717 4.2717 4.5134 4.5134 5.0740 5.0740 5.1821 5.1821 5.3134 5.3134 5.3638 5.3638 5.5887 5.5887 6.0424 6.0424 6.1317 6.1317 6.3888 6.3888 6.5353 6.5353 6.5598 6.5598 6.8474 6.8474 10.7353 10.7353 11.1125 11.1125 11.1743 11.1743 11.8692 11.8692 12.0536 12.0536 12.0964 12.0964 k = 0.0000 0.5518 0.2064 ( 5652 PWs) bands (ev): -10.4715 -10.4715 -10.0532 -10.0532 -9.6475 -9.6475 -9.5514 -9.5514 -9.4980 -9.4980 -9.2367 -9.2367 -9.1891 -9.1891 -9.0568 -9.0568 2.1835 2.1835 2.2176 2.2176 2.2278 2.2278 2.3194 2.3194 2.7642 2.7642 3.0274 3.0274 3.3027 3.3027 3.5194 3.5194 3.6355 3.6355 4.0744 4.0744 4.0865 4.0865 4.2274 4.2274 4.5269 4.5269 5.0858 5.0858 5.1706 5.1706 5.3191 5.3191 5.3569 5.3569 5.5885 5.5885 6.0144 6.0144 6.1417 6.1417 6.3706 6.3706 6.5230 6.5230 6.5617 6.5617 6.8333 6.8333 10.7443 10.7443 11.0847 11.0847 11.1822 11.1822 11.8922 11.8922 12.0485 12.0485 12.1062 12.1062 k = 0.0000 0.5543 0.2223 ( 5650 PWs) bands (ev): -10.4557 -10.4557 -10.0710 -10.0710 -9.6360 -9.6360 -9.5465 -9.5465 -9.5005 -9.5005 -9.2414 -9.2414 -9.1880 -9.1880 -9.0689 -9.0689 2.1794 2.1794 2.2105 2.2105 2.2659 2.2659 2.3656 2.3656 2.7872 2.7872 3.0334 3.0334 3.2835 3.2835 3.5073 3.5073 3.6186 3.6186 4.0389 4.0389 4.1183 4.1183 4.1889 4.1889 4.5455 4.5455 5.0968 5.0968 5.1551 5.1551 5.3232 5.3232 5.3533 5.3533 5.5907 5.5907 5.9864 5.9864 6.1513 6.1513 6.3525 6.3525 6.5103 6.5103 6.5640 6.5640 6.8185 6.8185 10.7524 10.7524 11.0538 11.0538 11.1963 11.1963 11.9162 11.9162 12.0405 12.0405 12.1166 12.1166 k = 0.0000 0.5569 0.2383 ( 5650 PWs) bands (ev): -10.4394 -10.4394 -10.0895 -10.0895 -9.6246 -9.6246 -9.5410 -9.5410 -9.5030 -9.5030 -9.2466 -9.2466 -9.1864 -9.1864 -9.0811 -9.0811 2.1746 2.1746 2.1989 2.1989 2.3088 2.3088 2.4158 2.4158 2.8126 2.8126 3.0366 3.0366 3.2632 3.2632 3.4920 3.4920 3.6008 3.6008 3.9978 3.9978 4.1457 4.1457 4.1605 4.1605 4.5692 4.5692 5.1060 5.1060 5.1377 5.1377 5.3246 5.3246 5.3524 5.3524 5.5958 5.5958 5.9590 5.9590 6.1602 6.1602 6.3347 6.3347 6.4978 6.4978 6.5667 6.5667 6.8031 6.8031 10.7597 10.7597 11.0226 11.0226 11.2139 11.2139 11.9412 11.9412 12.0304 12.0304 12.1273 12.1273 k = 0.0000 0.5594 0.2542 ( 5656 PWs) bands (ev): -10.4225 -10.4225 -10.1087 -10.1087 -9.6134 -9.6134 -9.5349 -9.5349 -9.5056 -9.5056 -9.2522 -9.2522 -9.1845 -9.1845 -9.0931 -9.0931 2.1702 2.1702 2.1871 2.1871 2.3512 2.3512 2.4690 2.4690 2.8406 2.8406 3.0363 3.0363 3.2418 3.2418 3.4738 3.4738 3.5825 3.5825 3.9512 3.9512 4.1362 4.1362 4.1749 4.1749 4.5978 4.5978 5.1060 5.1060 5.1264 5.1264 5.3233 5.3233 5.3529 5.3529 5.6038 5.6038 5.9325 5.9325 6.1682 6.1682 6.3173 6.3173 6.4857 6.4857 6.5694 6.5694 6.7872 6.7872 10.7664 10.7664 10.9919 10.9919 11.2342 11.2342 11.9665 11.9665 12.0191 12.0191 12.1380 12.1380 k = 0.0000 0.5620 0.2702 ( 5655 PWs) bands (ev): -10.4052 -10.4052 -10.1285 -10.1285 -9.6027 -9.6027 -9.5282 -9.5282 -9.5081 -9.5081 -9.2583 -9.2583 -9.1823 -9.1823 -9.1050 -9.1050 2.1661 2.1661 2.1757 2.1757 2.3935 2.3935 2.5240 2.5240 2.8713 2.8713 3.0318 3.0318 3.2192 3.2192 3.4531 3.4531 3.5641 3.5641 3.9007 3.9007 4.1234 4.1234 4.1975 4.1975 4.6307 4.6307 5.0872 5.0872 5.1314 5.1314 5.3191 5.3191 5.3546 5.3546 5.6145 5.6145 5.9072 5.9072 6.1751 6.1751 6.3005 6.3005 6.4746 6.4746 6.5724 6.5724 6.7709 6.7709 10.7726 10.7726 10.9621 10.9621 11.2567 11.2567 11.9888 11.9888 12.0101 12.0101 12.1488 12.1488 k = 0.0000 0.5645 0.2862 ( 5653 PWs) bands (ev): -10.3874 -10.3874 -10.1489 -10.1489 -9.5925 -9.5925 -9.5216 -9.5216 -9.5097 -9.5097 -9.2648 -9.2648 -9.1797 -9.1797 -9.1166 -9.1166 2.1605 2.1605 2.1666 2.1666 2.4358 2.4358 2.5797 2.5797 2.9052 2.9052 3.0227 3.0227 3.1950 3.1950 3.4306 3.4306 3.5461 3.5461 3.8486 3.8486 4.1166 4.1166 4.2175 4.2175 4.6669 4.6669 5.0630 5.0630 5.1397 5.1397 5.3107 5.3107 5.3585 5.3585 5.6271 5.6271 5.8837 5.8837 6.1803 6.1803 6.2843 6.2843 6.4651 6.4651 6.5755 6.5755 6.7544 6.7544 10.7784 10.7784 10.9335 10.9335 11.2812 11.2812 11.9863 11.9863 12.0252 12.0252 12.1596 12.1596 k = 0.0000 0.5671 0.3021 ( 5653 PWs) bands (ev): -10.3693 -10.3693 -10.1697 -10.1697 -9.5831 -9.5831 -9.5189 -9.5189 -9.5063 -9.5063 -9.2718 -9.2718 -9.1768 -9.1768 -9.1276 -9.1276 2.1505 2.1505 2.1630 2.1630 2.4783 2.4783 2.6347 2.6347 2.9427 2.9427 3.0088 3.0088 3.1691 3.1691 3.4067 3.4067 3.5283 3.5283 3.7975 3.7975 4.1146 4.1146 4.2350 4.2350 4.7055 4.7055 5.0366 5.0366 5.1487 5.1487 5.2977 5.2977 5.3651 5.3651 5.6405 5.6405 5.8628 5.8628 6.1836 6.1836 6.2690 6.2690 6.4578 6.4578 6.5787 6.5787 6.7378 6.7378 10.7842 10.7842 10.9063 10.9063 11.3074 11.3074 11.9719 11.9719 12.0512 12.0512 12.1706 12.1706 k = 0.0000 0.5697 0.3181 ( 5655 PWs) bands (ev): -10.3509 -10.3509 -10.1909 -10.1909 -9.5746 -9.5746 -9.5209 -9.5209 -9.4974 -9.4974 -9.2794 -9.2794 -9.1737 -9.1737 -9.1381 -9.1381 2.1395 2.1395 2.1614 2.1614 2.5210 2.5210 2.6879 2.6879 2.9829 2.9829 2.9917 2.9917 3.1407 3.1407 3.3822 3.3822 3.5093 3.5093 3.7503 3.7503 4.1163 4.1163 4.2503 4.2503 4.7453 4.7453 5.0085 5.0085 5.1583 5.1583 5.2806 5.2806 5.3743 5.3743 5.6532 5.6532 5.8452 5.8452 6.1844 6.1844 6.2547 6.2547 6.4532 6.4532 6.5822 6.5822 6.7212 6.7212 10.7899 10.7899 10.8807 10.8807 11.3350 11.3350 11.9554 11.9554 12.0780 12.0780 12.1820 12.1820 k = 0.0000 0.5722 0.3341 ( 5644 PWs) bands (ev): -10.3322 -10.3322 -10.2125 -10.2125 -9.5669 -9.5669 -9.5242 -9.5242 -9.4863 -9.4863 -9.2876 -9.2876 -9.1702 -9.1702 -9.1478 -9.1478 2.1287 2.1287 2.1609 2.1609 2.5638 2.5638 2.7380 2.7380 2.9664 2.9664 3.0315 3.0315 3.1097 3.1097 3.3577 3.3577 3.4868 3.4868 3.7107 3.7107 4.1207 4.1207 4.2638 4.2638 4.7853 4.7853 4.9789 4.9789 5.1689 5.1689 5.2602 5.2602 5.3856 5.3856 5.6633 5.6633 5.8321 5.8321 6.1824 6.1824 6.2414 6.2414 6.4517 6.4517 6.5858 6.5858 6.7049 6.7049 10.7955 10.7955 10.8570 10.8570 11.3638 11.3638 11.9376 11.9376 12.1041 12.1041 12.1942 12.1942 k = 0.5000 0.4392 0.4961 ( 5686 PWs) bands (ev): -10.3013 -10.3013 -10.2893 -10.2893 -9.7463 -9.7463 -9.7431 -9.7431 -9.1779 -9.1779 -9.1647 -9.1647 -9.1545 -9.1545 -9.1395 -9.1395 2.4572 2.4572 2.4595 2.4595 2.8568 2.8568 2.8728 2.8728 3.1302 3.1302 3.1410 3.1410 3.2264 3.2264 3.2343 3.2343 3.8691 3.8691 3.8871 3.8871 4.4026 4.4026 4.4047 4.4047 4.8019 4.8019 4.8190 4.8190 4.9790 4.9790 4.9818 4.9818 5.3778 5.3778 5.3863 5.3863 5.5505 5.5505 5.5645 5.5645 5.8037 5.8037 5.8055 5.8055 6.2484 6.2484 6.2569 6.2569 11.1875 11.1875 11.2268 11.2268 11.6723 11.6723 11.6786 11.6786 11.9049 11.9049 11.9390 11.9390 k = 0.5000 0.4230 0.4961 ( 5686 PWs) bands (ev): -10.2980 -10.2980 -10.2858 -10.2858 -9.7484 -9.7484 -9.7452 -9.7452 -9.1774 -9.1774 -9.1655 -9.1655 -9.1569 -9.1569 -9.1403 -9.1403 2.4599 2.4599 2.4621 2.4621 2.8542 2.8542 2.8691 2.8691 3.1183 3.1183 3.1264 3.1264 3.2206 3.2206 3.2314 3.2314 3.8693 3.8693 3.8867 3.8867 4.4142 4.4142 4.4153 4.4153 4.8059 4.8059 4.8198 4.8198 4.9748 4.9748 4.9799 4.9799 5.3779 5.3779 5.3879 5.3879 5.5494 5.5494 5.5623 5.5623 5.8089 5.8089 5.8123 5.8123 6.2579 6.2579 6.2663 6.2663 11.1817 11.1817 11.2195 11.2195 11.6810 11.6810 11.6893 11.6893 11.9098 11.9098 11.9456 11.9456 k = 0.5000 0.4067 0.4961 ( 5680 PWs) bands (ev): -10.2943 -10.2943 -10.2818 -10.2818 -9.7503 -9.7503 -9.7472 -9.7472 -9.1801 -9.1801 -9.1691 -9.1691 -9.1567 -9.1567 -9.1386 -9.1386 2.4616 2.4616 2.4637 2.4637 2.8505 2.8505 2.8642 2.8642 3.1038 3.1038 3.1094 3.1094 3.2170 3.2170 3.2305 3.2305 3.8705 3.8705 3.8872 3.8872 4.4233 4.4233 4.4233 4.4233 4.8107 4.8107 4.8208 4.8208 4.9704 4.9704 4.9782 4.9782 5.3779 5.3779 5.3900 5.3900 5.5498 5.5498 5.5606 5.5606 5.8181 5.8181 5.8227 5.8227 6.2680 6.2680 6.2763 6.2763 11.1768 11.1768 11.2130 11.2130 11.6864 11.6864 11.6956 11.6956 11.9203 11.9203 11.9575 11.9575 k = 0.5000 0.3904 0.4961 ( 5676 PWs) bands (ev): -10.2904 -10.2904 -10.2776 -10.2776 -9.7523 -9.7523 -9.7492 -9.7492 -9.1849 -9.1849 -9.1743 -9.1743 -9.1548 -9.1548 -9.1359 -9.1359 2.4623 2.4623 2.4643 2.4643 2.8460 2.8460 2.8583 2.8583 3.0869 3.0869 3.0906 3.0906 3.2153 3.2153 3.2312 3.2312 3.8730 3.8730 3.8888 3.8888 4.4284 4.4284 4.4295 4.4295 4.8159 4.8159 4.8217 4.8217 4.9658 4.9658 4.9766 4.9766 5.3777 5.3777 5.3927 5.3927 5.5524 5.5524 5.5600 5.5600 5.8313 5.8313 5.8367 5.8367 6.2783 6.2783 6.2865 6.2865 11.1729 11.1729 11.2076 11.2076 11.6889 11.6889 11.6980 11.6980 11.9360 11.9360 11.9742 11.9742 k = 0.5000 0.3742 0.4961 ( 5676 PWs) bands (ev): -10.2861 -10.2861 -10.2730 -10.2730 -9.7542 -9.7542 -9.7512 -9.7512 -9.1906 -9.1906 -9.1801 -9.1801 -9.1525 -9.1525 -9.1328 -9.1328 2.4619 2.4619 2.4637 2.4637 2.8408 2.8408 2.8517 2.8517 3.0685 3.0685 3.0707 3.0707 3.2151 3.2151 3.2329 3.2329 3.8768 3.8768 3.8915 3.8915 4.4306 4.4306 4.4328 4.4328 4.8206 4.8206 4.8220 4.8220 4.9616 4.9616 4.9754 4.9754 5.3773 5.3773 5.3955 5.3955 5.5578 5.5578 5.5615 5.5615 5.8480 5.8480 5.8537 5.8537 6.2886 6.2886 6.2966 6.2966 11.1701 11.1701 11.2034 11.2034 11.6894 11.6894 11.6973 11.6973 11.9554 11.9554 11.9945 11.9945 k = 0.5000 0.3579 0.4961 ( 5668 PWs) bands (ev): -10.2816 -10.2816 -10.2681 -10.2681 -9.7560 -9.7560 -9.7532 -9.7532 -9.1967 -9.1967 -9.1862 -9.1862 -9.1501 -9.1501 -9.1299 -9.1299 2.4604 2.4604 2.4621 2.4621 2.8350 2.8350 2.8445 2.8445 3.0490 3.0490 3.0503 3.0503 3.2158 3.2158 3.2352 3.2352 3.8818 3.8818 3.8955 3.8955 4.4302 4.4302 4.4333 4.4333 4.8204 4.8204 4.8230 4.8230 4.9589 4.9589 4.9752 4.9752 5.3765 5.3765 5.3982 5.3982 5.5660 5.5660 5.5666 5.5666 5.8678 5.8678 5.8735 5.8735 6.2986 6.2986 6.3063 6.3063 11.1686 11.1686 11.2005 11.2005 11.6886 11.6886 11.6946 11.6946 11.9773 11.9773 12.0174 12.0174 k = 0.5000 0.3416 0.4961 ( 5670 PWs) bands (ev): -10.2768 -10.2768 -10.2629 -10.2629 -9.7579 -9.7579 -9.7551 -9.7551 -9.2027 -9.2027 -9.1923 -9.1923 -9.1481 -9.1481 -9.1272 -9.1272 2.4577 2.4577 2.4593 2.4593 2.8290 2.8290 2.8369 2.8369 3.0291 3.0291 3.0298 3.0298 3.2170 3.2170 3.2378 3.2378 3.8879 3.8879 3.9006 3.9006 4.4277 4.4277 4.4314 4.4314 4.8159 4.8159 4.8214 4.8214 4.9588 4.9588 4.9767 4.9767 5.3755 5.3755 5.4003 5.4003 5.5742 5.5742 5.5790 5.5790 5.8901 5.8901 5.8956 5.8956 6.3082 6.3082 6.3156 6.3156 11.1685 11.1685 11.1991 11.1991 11.6870 11.6870 11.6906 11.6906 12.0000 12.0000 12.0418 12.0418 k = 0.5000 0.3254 0.4961 ( 5666 PWs) bands (ev): -10.2718 -10.2718 -10.2575 -10.2575 -9.7599 -9.7599 -9.7572 -9.7572 -9.2087 -9.2087 -9.1983 -9.1983 -9.1464 -9.1464 -9.1249 -9.1249 2.4539 2.4539 2.4554 2.4554 2.8227 2.8227 2.8293 2.8293 3.0093 3.0093 3.0098 3.0098 3.2183 3.2183 3.2404 3.2404 3.8951 3.8951 3.9067 3.9067 4.4236 4.4236 4.4277 4.4277 4.8076 4.8076 4.8146 4.8146 4.9619 4.9619 4.9800 4.9800 5.3746 5.3746 5.4018 5.4018 5.5865 5.5865 5.5947 5.5947 5.9145 5.9145 5.9195 5.9195 6.3172 6.3172 6.3242 6.3242 11.1699 11.1699 11.1991 11.1991 11.6851 11.6851 11.6860 11.6860 12.0214 12.0214 12.0660 12.0660 k = 0.5000 0.3091 0.4961 ( 5666 PWs) bands (ev): -10.2665 -10.2665 -10.2518 -10.2518 -9.7619 -9.7619 -9.7592 -9.7592 -9.2145 -9.2145 -9.2040 -9.2040 -9.1451 -9.1451 -9.1230 -9.1230 2.4489 2.4489 2.4503 2.4503 2.8164 2.8164 2.8218 2.8218 2.9900 2.9900 2.9906 2.9906 3.2195 3.2195 3.2428 3.2428 3.9033 3.9033 3.9138 3.9138 4.4183 4.4183 4.4226 4.4226 4.7957 4.7957 4.8030 4.8030 4.9675 4.9675 4.9847 4.9847 5.3743 5.3743 5.4032 5.4032 5.6024 5.6024 5.6134 5.6134 5.9405 5.9405 5.9449 5.9449 6.3257 6.3257 6.3321 6.3321 11.1729 11.1729 11.2008 11.2008 11.6810 11.6810 11.6832 11.6832 12.0386 12.0386 12.0846 12.0846 k = 0.5000 0.2928 0.4961 ( 5664 PWs) bands (ev): -10.2611 -10.2611 -10.2460 -10.2460 -9.7640 -9.7640 -9.7614 -9.7614 -9.2200 -9.2200 -9.2094 -9.2094 -9.1442 -9.1442 -9.1216 -9.1216 2.4428 2.4428 2.4441 2.4441 2.8102 2.8102 2.8146 2.8146 2.9716 2.9716 2.9725 2.9725 3.2204 3.2204 3.2448 3.2448 3.9122 3.9122 3.9217 3.9217 4.4124 4.4124 4.4166 4.4166 4.7807 4.7807 4.7876 4.7876 4.9741 4.9741 4.9897 4.9897 5.3754 5.3754 5.4053 5.4053 5.6215 5.6215 5.6344 5.6344 5.9675 5.9675 5.9714 5.9714 6.3336 6.3336 6.3394 6.3394 11.1777 11.1777 11.2042 11.2042 11.6759 11.6759 11.6814 11.6814 12.0484 12.0484 12.0884 12.0884 k = 0.5000 0.2766 0.4961 ( 5668 PWs) bands (ev): -10.2555 -10.2555 -10.2399 -10.2399 -9.7663 -9.7663 -9.7637 -9.7637 -9.2251 -9.2251 -9.2144 -9.2144 -9.1438 -9.1438 -9.1205 -9.1205 2.4356 2.4356 2.4367 2.4367 2.8042 2.8042 2.8078 2.8078 2.9543 2.9543 2.9557 2.9557 3.2208 3.2208 3.2463 3.2463 3.9217 3.9217 3.9303 3.9303 4.4061 4.4061 4.4101 4.4101 4.7636 4.7636 4.7697 4.7697 4.9801 4.9801 4.9939 4.9939 5.3785 5.3785 5.4087 5.4087 5.6428 5.6428 5.6569 5.6569 5.9953 5.9953 5.9986 5.9986 6.3410 6.3410 6.3459 6.3459 11.1842 11.1842 11.2093 11.2093 11.6708 11.6708 11.6797 11.6797 12.0508 12.0508 12.0834 12.0834 k = 0.5000 0.2603 0.4961 ( 5664 PWs) bands (ev): -10.2499 -10.2499 -10.2337 -10.2337 -9.7686 -9.7686 -9.7661 -9.7661 -9.2299 -9.2299 -9.2191 -9.2191 -9.1437 -9.1437 -9.1199 -9.1199 2.4273 2.4273 2.4284 2.4284 2.7987 2.7987 2.8016 2.8016 2.9381 2.9381 2.9402 2.9402 3.2206 3.2206 3.2472 3.2472 3.9317 3.9317 3.9395 3.9395 4.3997 4.3997 4.4034 4.4034 4.7452 4.7452 4.7506 4.7506 4.9842 4.9842 4.9962 4.9962 5.3842 5.3842 5.4143 5.4143 5.6655 5.6655 5.6801 5.6801 6.0235 6.0235 6.0261 6.0261 6.3478 6.3478 6.3517 6.3517 11.1925 11.1925 11.2163 11.2163 11.6655 11.6655 11.6781 11.6781 12.0478 12.0478 12.0748 12.0748 k = 0.5000 0.2440 0.4961 ( 5662 PWs) bands (ev): -10.2441 -10.2441 -10.2275 -10.2275 -9.7712 -9.7712 -9.7687 -9.7687 -9.2342 -9.2342 -9.2232 -9.2232 -9.1440 -9.1440 -9.1196 -9.1196 2.4181 2.4181 2.4191 2.4191 2.7937 2.7937 2.7960 2.7960 2.9234 2.9234 2.9261 2.9261 3.2198 3.2198 3.2475 3.2475 3.9420 3.9420 3.9491 3.9491 4.3933 4.3933 4.3966 4.3966 4.7265 4.7265 4.7312 4.7312 4.9856 4.9856 4.9959 4.9959 5.3929 5.3929 5.4225 5.4225 5.6887 5.6887 5.7033 5.7033 6.0517 6.0517 6.0538 6.0538 6.3543 6.3543 6.3570 6.3570 11.2027 11.2027 11.2252 11.2252 11.6602 11.6602 11.6765 11.6765 12.0410 12.0410 12.0633 12.0633 k = 0.5000 0.2278 0.4961 ( 5668 PWs) bands (ev): -10.2383 -10.2383 -10.2211 -10.2211 -9.7738 -9.7738 -9.7714 -9.7714 -9.2380 -9.2380 -9.2269 -9.2269 -9.1447 -9.1447 -9.1198 -9.1198 2.4082 2.4082 2.4090 2.4090 2.7894 2.7894 2.7913 2.7913 2.9099 2.9099 2.9135 2.9135 3.2184 3.2184 3.2472 3.2472 3.9524 3.9524 3.9589 3.9589 4.3868 4.3868 4.3897 4.3897 4.7082 4.7082 4.7124 4.7124 4.9836 4.9836 4.9926 4.9926 5.4047 5.4047 5.4335 5.4335 5.7115 5.7115 5.7256 5.7256 6.0797 6.0797 6.0813 6.0813 6.3605 6.3605 6.3619 6.3619 11.2149 11.2149 11.2359 11.2359 11.6548 11.6548 11.6747 11.6747 12.0311 12.0311 12.0492 12.0492 k = 0.5000 0.2115 0.4961 ( 5676 PWs) bands (ev): -10.2325 -10.2325 -10.2148 -10.2148 -9.7766 -9.7766 -9.7742 -9.7742 -9.2413 -9.2413 -9.2301 -9.2301 -9.1458 -9.1458 -9.1203 -9.1203 2.3977 2.3977 2.3984 2.3984 2.7859 2.7859 2.7875 2.7875 2.8977 2.8977 2.9020 2.9020 3.2164 3.2164 3.2464 3.2464 3.9629 3.9629 3.9689 3.9689 4.3803 4.3803 4.3827 4.3827 4.6911 4.6911 4.6951 4.6951 4.9784 4.9784 4.9861 4.9861 5.4195 5.4195 5.4473 5.4473 5.7333 5.7333 5.7465 5.7465 6.1072 6.1072 6.1084 6.1084 6.3664 6.3664 6.3665 6.3665 11.2291 11.2291 11.2485 11.2485 11.6492 11.6492 11.6728 11.6728 12.0185 12.0185 12.0324 12.0324 k = 0.5000 0.1952 0.4961 ( 5672 PWs) bands (ev): -10.2268 -10.2268 -10.2086 -10.2086 -9.7796 -9.7796 -9.7771 -9.7771 -9.2442 -9.2442 -9.2328 -9.2328 -9.1471 -9.1471 -9.1211 -9.1211 2.3867 2.3867 2.3874 2.3874 2.7832 2.7832 2.7845 2.7845 2.8867 2.8867 2.8918 2.8918 3.2139 3.2139 3.2450 3.2450 3.9734 3.9734 3.9790 3.9790 4.3734 4.3734 4.3755 4.3755 4.6760 4.6760 4.6798 4.6798 4.9700 4.9700 4.9766 4.9766 5.4369 5.4369 5.4638 5.4638 5.7533 5.7533 5.7653 5.7653 6.1340 6.1340 6.1350 6.1350 6.3708 6.3708 6.3725 6.3725 11.2452 11.2452 11.2630 11.2630 11.6434 11.6434 11.6706 11.6706 12.0032 12.0032 12.0129 12.0129 k = 0.5000 0.1790 0.4961 ( 5666 PWs) bands (ev): -10.2212 -10.2212 -10.2024 -10.2024 -9.7826 -9.7826 -9.7801 -9.7801 -9.2465 -9.2465 -9.2351 -9.2351 -9.1487 -9.1487 -9.1221 -9.1221 2.3757 2.3757 2.3762 2.3762 2.7815 2.7815 2.7825 2.7825 2.8769 2.8769 2.8825 2.8825 3.2109 3.2109 3.2431 3.2431 3.9837 3.9837 3.9890 3.9890 4.3659 4.3659 4.3678 4.3678 4.6634 4.6634 4.6674 4.6674 4.9587 4.9587 4.9643 4.9643 5.4567 5.4567 5.4824 5.4824 5.7710 5.7710 5.7813 5.7813 6.1599 6.1599 6.1607 6.1607 6.3750 6.3750 6.3784 6.3784 11.2633 11.2633 11.2793 11.2793 11.6374 11.6374 11.6680 11.6680 11.9855 11.9855 11.9909 11.9909 k = 0.5000 0.1627 0.4961 ( 5668 PWs) bands (ev): -10.2158 -10.2158 -10.1965 -10.1965 -9.7857 -9.7857 -9.7831 -9.7831 -9.2484 -9.2484 -9.2368 -9.2368 -9.1505 -9.1505 -9.1234 -9.1234 2.3647 2.3647 2.3652 2.3652 2.7806 2.7806 2.7814 2.7814 2.8680 2.8680 2.8740 2.8740 3.2075 3.2075 3.2409 3.2409 3.9939 3.9939 3.9989 3.9989 4.3577 4.3577 4.3594 4.3594 4.6540 4.6540 4.6582 4.6582 4.9449 4.9449 4.9497 4.9497 5.4782 5.4782 5.5029 5.5029 5.7858 5.7858 5.7942 5.7942 6.1847 6.1847 6.1856 6.1856 6.3792 6.3792 6.3843 6.3843 11.2834 11.2834 11.2973 11.2973 11.6312 11.6312 11.6650 11.6650 11.9656 11.9656 11.9664 11.9664 k = 0.5000 0.1464 0.4961 ( 5666 PWs) bands (ev): -10.2106 -10.2106 -10.1907 -10.1907 -9.7888 -9.7888 -9.7862 -9.7862 -9.2497 -9.2497 -9.2382 -9.2382 -9.1524 -9.1524 -9.1249 -9.1249 2.3540 2.3540 2.3544 2.3544 2.7807 2.7807 2.7811 2.7811 2.8599 2.8599 2.8663 2.8663 3.2039 3.2039 3.2384 3.2384 4.0038 4.0038 4.0087 4.0087 4.3486 4.3486 4.3502 4.3502 4.6480 4.6480 4.6527 4.6527 4.9291 4.9291 4.9332 4.9332 5.5011 5.5011 5.5247 5.5247 5.7974 5.7974 5.8037 5.8037 6.2082 6.2082 6.2093 6.2093 6.3833 6.3833 6.3902 6.3902 11.3052 11.3052 11.3169 11.3169 11.6248 11.6248 11.6615 11.6615 11.9400 11.9400 11.9438 11.9438 k = 0.5000 0.1301 0.4961 ( 5662 PWs) bands (ev): -10.2057 -10.2057 -10.1853 -10.1853 -9.7918 -9.7918 -9.7891 -9.7891 -9.2507 -9.2507 -9.2391 -9.2391 -9.1545 -9.1545 -9.1264 -9.1264 2.3439 2.3439 2.3442 2.3442 2.7816 2.7816 2.7817 2.7817 2.8526 2.8526 2.8591 2.8591 3.2002 3.2002 3.2357 3.2357 4.0134 4.0134 4.0182 4.0182 4.3386 4.3386 4.3402 4.3402 4.6458 4.6458 4.6510 4.6510 4.9117 4.9117 4.9151 4.9151 5.5248 5.5248 5.5473 5.5473 5.8055 5.8055 5.8097 5.8097 6.2303 6.2303 6.2317 6.2317 6.3874 6.3874 6.3960 6.3960 11.3289 11.3289 11.3380 11.3380 11.6182 11.6182 11.6575 11.6575 11.9119 11.9119 11.9205 11.9205 k = 0.5000 0.1139 0.4961 ( 5662 PWs) bands (ev): -10.2011 -10.2011 -10.1803 -10.1803 -9.7947 -9.7947 -9.7919 -9.7919 -9.2514 -9.2514 -9.2397 -9.2397 -9.1565 -9.1565 -9.1280 -9.1280 2.3344 2.3344 2.3347 2.3347 2.7830 2.7830 2.7833 2.7833 2.8459 2.8459 2.8523 2.8523 3.1964 3.1964 3.2330 3.2330 4.0227 4.0227 4.0275 4.0275 4.3279 4.3279 4.3295 4.3295 4.6472 4.6472 4.6530 4.6530 4.8930 4.8930 4.8957 4.8957 5.5489 5.5489 5.5704 5.5704 5.8102 5.8102 5.8121 5.8121 6.2508 6.2508 6.2525 6.2525 6.3912 6.3912 6.4014 6.4014 11.3542 11.3542 11.3604 11.3604 11.6113 11.6113 11.6527 11.6527 11.8827 11.8827 11.8963 11.8963 k = 0.5000 0.0976 0.4961 ( 5664 PWs) bands (ev): -10.1970 -10.1970 -10.1758 -10.1758 -9.7974 -9.7974 -9.7945 -9.7945 -9.2517 -9.2517 -9.2400 -9.2400 -9.1585 -9.1585 -9.1296 -9.1296 2.3259 2.3259 2.3261 2.3261 2.7849 2.7849 2.7857 2.7857 2.8397 2.8397 2.8459 2.8459 3.1929 3.1929 3.2303 3.2303 4.0315 4.0315 4.0363 4.0363 4.3169 4.3169 4.3186 4.3186 4.6521 4.6521 4.6586 4.6586 4.8733 4.8733 4.8756 4.8756 5.5730 5.5730 5.5935 5.5935 5.8112 5.8112 5.8115 5.8115 6.2694 6.2694 6.2716 6.2716 6.3948 6.3948 6.4064 6.4064 11.3809 11.3809 11.3838 11.3838 11.6041 11.6041 11.6470 11.6470 11.8533 11.8533 11.8718 11.8718 k = 0.5000 0.0813 0.4961 ( 5656 PWs) bands (ev): -10.1934 -10.1934 -10.1718 -10.1718 -9.7999 -9.7999 -9.7969 -9.7969 -9.2518 -9.2518 -9.2402 -9.2402 -9.1604 -9.1604 -9.1311 -9.1311 2.3184 2.3184 2.3186 2.3186 2.7873 2.7873 2.7888 2.7888 2.8340 2.8340 2.8397 2.8397 3.1895 3.1895 3.2278 3.2278 4.0398 4.0398 4.0446 4.0446 4.3060 4.3060 4.3077 4.3077 4.6601 4.6601 4.6673 4.6673 4.8530 4.8530 4.8550 4.8550 5.5965 5.5965 5.6162 5.6162 5.8073 5.8073 5.8096 5.8096 6.2860 6.2860 6.2885 6.2885 6.3978 6.3978 6.4107 6.4107 11.4079 11.4079 11.4090 11.4090 11.5963 11.5963 11.6399 11.6399 11.8246 11.8246 11.8479 11.8479 k = 0.5000 0.0651 0.4961 ( 5654 PWs) bands (ev): -10.1904 -10.1904 -10.1684 -10.1684 -9.8021 -9.8021 -9.7989 -9.7989 -9.2517 -9.2517 -9.2402 -9.2402 -9.1621 -9.1621 -9.1325 -9.1325 2.3121 2.3121 2.3123 2.3123 2.7902 2.7902 2.7924 2.7924 2.8287 2.8287 2.8337 2.8337 3.1866 3.1866 3.2256 3.2256 4.0472 4.0472 4.0520 4.0520 4.2959 4.2959 4.2976 4.2976 4.6707 4.6707 4.6788 4.6788 4.8323 4.8323 4.8344 4.8344 5.6190 5.6190 5.6377 5.6377 5.8009 5.8009 5.8051 5.8051 6.3002 6.3002 6.3031 6.3031 6.4003 6.4003 6.4143 6.4143 11.4321 11.4321 11.4380 11.4380 11.5877 11.5877 11.6307 11.6307 11.7980 11.7980 11.8255 11.8255 k = 0.5000 0.0488 0.4961 ( 5648 PWs) bands (ev): -10.1880 -10.1880 -10.1657 -10.1657 -9.8038 -9.8038 -9.8006 -9.8006 -9.2516 -9.2516 -9.2401 -9.2401 -9.1635 -9.1635 -9.1336 -9.1336 2.3071 2.3071 2.3072 2.3072 2.7934 2.7934 2.7965 2.7965 2.8238 2.8238 2.8280 2.8280 3.1842 3.1842 3.2238 3.2238 4.0535 4.0535 4.0584 4.0584 4.2871 4.2871 4.2888 4.2888 4.6831 4.6831 4.6923 4.6923 4.8118 4.8118 4.8144 4.8144 5.6396 5.6396 5.6575 5.6575 5.7927 5.7927 5.7985 5.7985 6.3118 6.3118 6.3149 6.3149 6.4021 6.4021 6.4170 6.4170 11.4558 11.4558 11.4676 11.4676 11.5781 11.5781 11.6185 11.6185 11.7751 11.7751 11.8059 11.8059 k = 0.5000 0.0325 0.4961 ( 5644 PWs) bands (ev): -10.1862 -10.1862 -10.1637 -10.1637 -9.8051 -9.8051 -9.8018 -9.8018 -9.2514 -9.2514 -9.2399 -9.2399 -9.1646 -9.1646 -9.1344 -9.1344 2.3035 2.3035 2.3036 2.3036 2.7966 2.7966 2.8010 2.8010 2.8194 2.8194 2.8224 2.8224 3.1825 3.1825 3.2225 3.2225 4.0584 4.0584 4.0634 4.0634 4.2802 4.2802 4.2820 4.2820 4.6963 4.6963 4.7074 4.7074 4.7919 4.7919 4.7958 4.7958 5.6571 5.6571 5.6743 5.6743 5.7840 5.7840 5.7911 5.7911 6.3205 6.3205 6.3236 6.3236 6.4033 6.4033 6.4189 6.4189 11.4780 11.4780 11.4971 11.4971 11.5673 11.5673 11.6023 11.6023 11.7575 11.7575 11.7905 11.7905 k = 0.5000 0.0163 0.4961 ( 5646 PWs) bands (ev): -10.1851 -10.1851 -10.1625 -10.1625 -9.8059 -9.8059 -9.8025 -9.8025 -9.2513 -9.2513 -9.2399 -9.2399 -9.1652 -9.1652 -9.1350 -9.1350 2.3013 2.3013 2.3013 2.3013 2.7994 2.7994 2.8056 2.8056 2.8159 2.8159 2.8171 2.8171 3.1814 3.1814 3.2216 3.2216 4.0615 4.0615 4.0665 4.0665 4.2759 4.2759 4.2776 4.2776 4.7080 4.7080 4.7224 4.7224 4.7740 4.7740 4.7809 4.7809 5.6695 5.6695 5.6862 5.6862 5.7769 5.7769 5.7849 5.7849 6.3258 6.3258 6.3290 6.3290 6.4039 6.4039 6.4200 6.4200 11.4962 11.4962 11.5255 11.5255 11.5565 11.5565 11.5822 11.5822 11.7467 11.7467 11.7805 11.7805 k = 0.5000-0.0000 0.4961 ( 5644 PWs) bands (ev): -10.1848 -10.1848 -10.1621 -10.1621 -9.8061 -9.8061 -9.8028 -9.8028 -9.2512 -9.2512 -9.2398 -9.2398 -9.1654 -9.1654 -9.1351 -9.1351 2.3005 2.3005 2.3006 2.3006 2.8006 2.8006 2.8088 2.8088 2.8137 2.8137 2.8145 2.8145 3.1810 3.1810 3.2214 3.2214 4.0626 4.0626 4.0676 4.0676 4.2744 4.2744 4.2761 4.2761 4.7133 4.7133 4.7308 4.7308 4.7647 4.7647 4.7746 4.7746 5.6741 5.6741 5.6906 5.6906 5.7741 5.7741 5.7823 5.7823 6.3276 6.3276 6.3309 6.3309 6.4041 6.4041 6.4203 6.4203 11.5045 11.5045 11.5447 11.5447 11.5508 11.5508 11.5657 11.5657 11.7431 11.7431 11.7771 11.7771 k = 0.5000-0.0000 0.4961 ( 5644 PWs) bands (ev): -10.1848 -10.1848 -10.1621 -10.1621 -9.8061 -9.8061 -9.8028 -9.8028 -9.2512 -9.2512 -9.2398 -9.2398 -9.1654 -9.1654 -9.1351 -9.1351 2.3005 2.3005 2.3006 2.3006 2.8006 2.8006 2.8088 2.8088 2.8137 2.8137 2.8145 2.8145 3.1810 3.1810 3.2214 3.2214 4.0626 4.0626 4.0676 4.0676 4.2744 4.2744 4.2761 4.2761 4.7133 4.7133 4.7308 4.7308 4.7647 4.7647 4.7746 4.7746 5.6741 5.6741 5.6906 5.6906 5.7741 5.7741 5.7823 5.7823 6.3276 6.3276 6.3309 6.3309 6.4041 6.4041 6.4203 6.4203 11.5045 11.5045 11.5447 11.5447 11.5508 11.5508 11.5657 11.5657 11.7431 11.7431 11.7771 11.7771 k = 0.5000-0.0000 0.4795 ( 5650 PWs) bands (ev): -10.1853 -10.1853 -10.1628 -10.1628 -9.8053 -9.8053 -9.8021 -9.8021 -9.2517 -9.2517 -9.2402 -9.2402 -9.1651 -9.1651 -9.1349 -9.1349 2.3003 2.3003 2.3003 2.3003 2.7759 2.7759 2.7798 2.7798 2.8388 2.8388 2.8424 2.8424 3.1812 3.1812 3.2214 3.2214 4.0585 4.0585 4.0635 4.0635 4.2750 4.2750 4.2765 4.2765 4.6981 4.6981 4.7094 4.7094 4.7904 4.7904 4.7945 4.7945 5.6728 5.6728 5.6892 5.6892 5.7761 5.7761 5.7843 5.7843 6.3251 6.3251 6.3286 6.3286 6.4067 6.4067 6.4226 6.4226 11.4943 11.4943 11.5270 11.5270 11.5614 11.5614 11.5841 11.5841 11.7440 11.7440 11.7782 11.7782 k = 0.5000-0.0000 0.4630 ( 5648 PWs) bands (ev): -10.1870 -10.1870 -10.1648 -10.1648 -9.8029 -9.8029 -9.8000 -9.8000 -9.2531 -9.2531 -9.2412 -9.2412 -9.1639 -9.1639 -9.1342 -9.1342 2.2995 2.2995 2.2995 2.2995 2.7454 2.7454 2.7486 2.7486 2.8681 2.8681 2.8726 2.8726 3.1819 3.1819 3.2216 3.2216 4.0469 4.0469 4.0518 4.0518 4.2760 4.2760 4.2769 4.2769 4.6742 4.6742 4.6822 4.6822 4.8308 4.8308 4.8327 4.8327 5.6690 5.6690 5.6851 5.6851 5.7820 5.7820 5.7899 5.7899 6.3182 6.3182 6.3223 6.3223 6.4136 6.4136 6.4287 6.4287 11.4747 11.4747 11.5025 11.5025 11.5822 11.5822 11.6107 11.6107 11.7468 11.7468 11.7816 11.7816 k = 0.5000-0.0000 0.4465 ( 5646 PWs) bands (ev): -10.1898 -10.1898 -10.1680 -10.1680 -9.7989 -9.7989 -9.7965 -9.7965 -9.2554 -9.2554 -9.2430 -9.2430 -9.1621 -9.1621 -9.1330 -9.1330 2.2980 2.2980 2.2982 2.2982 2.7150 2.7150 2.7177 2.7177 2.8963 2.8963 2.9015 2.9015 3.1833 3.1833 3.2222 3.2222 4.0291 4.0291 4.0337 4.0337 4.2754 4.2754 4.2756 4.2756 4.6552 4.6552 4.6613 4.6613 4.8744 4.8744 4.8761 4.8761 5.6633 5.6633 5.6791 5.6791 5.7911 5.7911 5.7986 5.7986 6.3086 6.3086 6.3133 6.3133 6.4233 6.4233 6.4376 6.4376 11.4535 11.4535 11.4782 11.4782 11.6054 11.6054 11.6381 11.6381 11.7516 11.7516 11.7872 11.7872 k = 0.5000-0.0000 0.4299 ( 5648 PWs) bands (ev): -10.1935 -10.1935 -10.1724 -10.1724 -9.7935 -9.7935 -9.7918 -9.7918 -9.2584 -9.2584 -9.2453 -9.2453 -9.1597 -9.1597 -9.1315 -9.1315 2.2959 2.2959 2.2963 2.2963 2.6852 2.6852 2.6876 2.6876 2.9224 2.9224 2.9286 2.9286 3.1857 3.1857 3.2235 3.2235 4.0064 4.0064 4.0107 4.0107 4.2704 4.2704 4.2720 4.2720 4.6443 4.6443 4.6485 4.6485 4.9196 4.9196 4.9219 4.9219 5.6564 5.6564 5.6718 5.6718 5.8029 5.8029 5.8097 5.8097 6.2976 6.2976 6.3026 6.3026 6.4344 6.4344 6.4479 6.4479 11.4322 11.4322 11.4547 11.4547 11.6291 11.6291 11.6657 11.6657 11.7585 11.7585 11.7953 11.7953 k = 0.5000-0.0000 0.4134 ( 5658 PWs) bands (ev): -10.1981 -10.1981 -10.1778 -10.1778 -9.7868 -9.7868 -9.7859 -9.7859 -9.2621 -9.2621 -9.2483 -9.2483 -9.1569 -9.1569 -9.1297 -9.1297 2.2931 2.2931 2.2936 2.2936 2.6564 2.6564 2.6585 2.6585 2.9458 2.9458 2.9530 2.9530 3.1898 3.1898 3.2261 3.2261 3.9802 3.9802 3.9841 3.9841 4.2609 4.2609 4.2641 4.2641 4.6422 4.6422 4.6444 4.6444 4.9655 4.9655 4.9687 4.9687 5.6488 5.6488 5.6637 5.6637 5.8169 5.8169 5.8227 5.8227 6.2859 6.2859 6.2911 6.2911 6.4462 6.4462 6.4591 6.4591 11.4115 11.4115 11.4322 11.4322 11.6525 11.6525 11.6927 11.6927 11.7680 11.7680 11.8059 11.8059 k = 0.5000-0.0000 0.3969 ( 5662 PWs) bands (ev): -10.2035 -10.2035 -10.1841 -10.1841 -9.7790 -9.7790 -9.7789 -9.7789 -9.2663 -9.2663 -9.2517 -9.2517 -9.1537 -9.1537 -9.1275 -9.1275 2.2893 2.2893 2.2901 2.2901 2.6291 2.6291 2.6308 2.6308 2.9655 2.9655 2.9741 2.9741 3.1959 3.1959 3.2303 3.2303 3.9513 3.9513 3.9547 3.9547 4.2474 4.2474 4.2521 4.2521 4.6482 4.6482 4.6485 4.6485 5.0114 5.0114 5.0157 5.0157 5.6408 5.6408 5.6550 5.6550 5.8328 5.8328 5.8375 5.8375 6.2739 6.2739 6.2790 6.2790 6.4583 6.4583 6.4707 6.4707 11.3915 11.3915 11.4107 11.4107 11.6751 11.6751 11.7180 11.7180 11.7811 11.7811 11.8191 11.8191 k = 0.5000-0.0000 0.3803 ( 5662 PWs) bands (ev): -10.2096 -10.2096 -10.1911 -10.1911 -9.7711 -9.7711 -9.7701 -9.7701 -9.2709 -9.2709 -9.2556 -9.2556 -9.1502 -9.1502 -9.1252 -9.1252 2.2845 2.2845 2.2855 2.2855 2.6034 2.6034 2.6049 2.6049 2.9810 2.9810 2.9911 2.9911 3.2047 3.2047 3.2368 3.2368 3.9205 3.9205 3.9232 3.9232 4.2312 4.2312 4.2372 4.2372 4.6593 4.6593 4.6609 4.6609 5.0569 5.0569 5.0625 5.0625 5.6326 5.6326 5.6460 5.6460 5.8505 5.8505 5.8540 5.8540 6.2619 6.2619 6.2668 6.2668 6.4704 6.4704 6.4823 6.4823 11.3725 11.3725 11.3904 11.3904 11.6964 11.6964 11.7401 11.7401 11.7986 11.7986 11.8352 11.8352 k = 0.5000-0.0000 0.3638 ( 5650 PWs) bands (ev): -10.2161 -10.2161 -10.1986 -10.1986 -9.7624 -9.7624 -9.7604 -9.7604 -9.2760 -9.2760 -9.2599 -9.2599 -9.1466 -9.1466 -9.1227 -9.1227 2.2784 2.2784 2.2797 2.2797 2.5798 2.5798 2.5811 2.5811 2.9918 2.9918 3.0035 3.0035 3.2161 3.2161 3.2459 3.2459 3.8882 3.8882 3.8902 3.8902 4.2138 4.2138 4.2208 4.2208 4.6754 4.6754 4.6786 4.6786 5.1014 5.1014 5.1084 5.1084 5.6243 5.6243 5.6368 5.6368 5.8699 5.8699 5.8719 5.8719 6.2501 6.2501 6.2546 6.2546 6.4824 6.4824 6.4938 6.4938 11.3545 11.3545 11.3712 11.3712 11.7162 11.7162 11.7585 11.7585 11.8209 11.8209 11.8538 11.8538 k = 0.5000-0.0000 0.3473 ( 5644 PWs) bands (ev): -10.2231 -10.2231 -10.2066 -10.2066 -9.7530 -9.7530 -9.7501 -9.7501 -9.2813 -9.2813 -9.2645 -9.2645 -9.1428 -9.1428 -9.1201 -9.1201 2.2709 2.2709 2.2724 2.2724 2.5587 2.5587 2.5598 2.5598 2.9980 2.9980 3.0111 3.0111 3.2298 3.2298 3.2573 3.2573 3.8550 3.8550 3.8562 3.8562 4.1964 4.1964 4.2042 4.2042 4.6953 4.6953 4.6999 4.6999 5.1446 5.1446 5.1530 5.1530 5.6160 5.6160 5.6275 5.6275 5.8908 5.8908 5.8913 5.8913 6.2386 6.2386 6.2427 6.2427 6.4940 6.4940 6.5050 6.5050 11.3377 11.3377 11.3533 11.3533 11.7344 11.7344 11.7741 11.7741 11.8467 11.8467 11.8747 11.8747 k = 0.5000-0.0000 0.3307 ( 5642 PWs) bands (ev): -10.2304 -10.2304 -10.2149 -10.2149 -9.7431 -9.7431 -9.7391 -9.7391 -9.2868 -9.2868 -9.2695 -9.2695 -9.1390 -9.1390 -9.1174 -9.1174 2.2619 2.2619 2.2636 2.2636 2.5402 2.5402 2.5412 2.5412 3.0001 3.0001 3.0143 3.0143 3.2451 3.2451 3.2705 3.2705 3.8215 3.8215 3.8218 3.8218 4.1800 4.1800 4.1883 4.1883 4.7177 4.7177 4.7236 4.7236 5.1860 5.1860 5.1960 5.1960 5.6078 5.6078 5.6181 5.6181 5.9120 5.9120 5.9132 5.9132 6.2276 6.2276 6.2310 6.2310 6.5053 6.5053 6.5158 6.5158 11.3220 11.3220 11.3366 11.3366 11.7511 11.7511 11.7882 11.7882 11.8740 11.8740 11.8971 11.8971 k = 0.5000-0.0000 0.3142 ( 5630 PWs) bands (ev): -10.2378 -10.2378 -10.2233 -10.2233 -9.7328 -9.7328 -9.7278 -9.7278 -9.2926 -9.2926 -9.2747 -9.2747 -9.1352 -9.1352 -9.1147 -9.1147 2.2513 2.2513 2.2531 2.2531 2.5247 2.5247 2.5257 2.5257 2.9988 2.9988 3.0136 3.0136 3.2608 3.2608 3.2845 3.2845 3.7878 3.7878 3.7883 3.7883 4.1653 4.1653 4.1740 4.1740 4.7418 4.7418 4.7487 4.7487 5.2254 5.2254 5.2369 5.2369 5.5998 5.5998 5.6087 5.6087 5.9340 5.9340 5.9368 5.9368 6.2171 6.2171 6.2199 6.2199 6.5160 6.5160 6.5261 6.5261 11.3075 11.3075 11.3213 11.3213 11.7664 11.7664 11.8014 11.8014 11.9015 11.9015 11.9202 11.9202 k = 0.5000-0.0000 0.2976 ( 5626 PWs) bands (ev): -10.2453 -10.2453 -10.2318 -10.2318 -9.7221 -9.7221 -9.7161 -9.7161 -9.2985 -9.2985 -9.2802 -9.2802 -9.1314 -9.1314 -9.1121 -9.1121 2.2391 2.2391 2.2409 2.2409 2.5122 2.5122 2.5132 2.5132 2.9948 2.9948 3.0098 3.0098 3.2759 3.2759 3.2980 3.2980 3.7548 3.7548 3.7561 3.7561 4.1526 4.1526 4.1615 4.1615 4.7668 4.7668 4.7748 4.7748 5.2624 5.2624 5.2755 5.2755 5.5920 5.5920 5.5994 5.5994 5.9572 5.9572 5.9616 5.9616 6.2075 6.2075 6.2093 6.2093 6.5263 6.5263 6.5358 6.5358 11.2944 11.2944 11.3074 11.3074 11.7806 11.7806 11.8142 11.8142 11.9278 11.9278 11.9429 11.9429 k = 0.5000-0.0000 0.2811 ( 5630 PWs) bands (ev): -10.2528 -10.2528 -10.2402 -10.2402 -9.7111 -9.7111 -9.7043 -9.7043 -9.3045 -9.3045 -9.2859 -9.2859 -9.1277 -9.1277 -9.1094 -9.1094 2.2254 2.2254 2.2273 2.2273 2.5028 2.5028 2.5038 2.5038 2.9886 2.9886 3.0036 3.0036 3.2893 3.2893 3.3100 3.3100 3.7236 3.7236 3.7255 3.7255 4.1421 4.1421 4.1512 4.1512 4.7924 4.7924 4.8012 4.8012 5.2967 5.2967 5.3115 5.3115 5.5846 5.5846 5.5901 5.5901 5.9811 5.9811 5.9873 5.9873 6.1988 6.1988 6.1997 6.1997 6.5359 6.5359 6.5450 6.5450 11.2825 11.2825 11.2948 11.2948 11.7938 11.7938 11.8267 11.8267 11.9518 11.9518 11.9640 11.9640 k = 0.5000-0.0000 0.2646 ( 5626 PWs) bands (ev): -10.2602 -10.2602 -10.2486 -10.2486 -9.7000 -9.7000 -9.6923 -9.6923 -9.3106 -9.3106 -9.2918 -9.2918 -9.1240 -9.1240 -9.1069 -9.1069 2.2106 2.2106 2.2125 2.2125 2.4961 2.4961 2.4972 2.4972 2.9808 2.9808 2.9955 2.9955 3.3000 3.3000 3.3193 3.3193 3.6952 3.6952 3.6973 3.6973 4.1340 4.1340 4.1432 4.1432 4.8182 4.8182 4.8277 4.8277 5.3279 5.3279 5.3445 5.3445 5.5775 5.5775 5.5809 5.5809 6.0055 6.0055 6.0135 6.0135 6.1911 6.1911 6.1914 6.1914 6.5449 6.5449 6.5535 6.5535 11.2720 11.2720 11.2837 11.2837 11.8061 11.8061 11.8389 11.8389 11.9721 11.9721 11.9825 11.9825 k = 0.5000-0.0000 0.2480 ( 5628 PWs) bands (ev): -10.2675 -10.2675 -10.2567 -10.2567 -9.6888 -9.6888 -9.6804 -9.6804 -9.3168 -9.3168 -9.2978 -9.2978 -9.1205 -9.1205 -9.1045 -9.1045 2.1950 2.1950 2.1968 2.1968 2.4921 2.4921 2.4933 2.4933 2.9717 2.9717 2.9859 2.9859 3.3071 3.3071 3.3248 3.3248 3.6704 3.6704 3.6724 3.6724 4.1282 4.1282 4.1374 4.1374 4.8440 4.8440 4.8540 4.8540 5.3559 5.3559 5.3744 5.3744 5.5710 5.5710 5.5720 5.5720 6.0298 6.0298 6.0396 6.0396 6.1840 6.1840 6.1857 6.1857 6.5532 6.5532 6.5614 6.5614 11.2629 11.2629 11.2739 11.2739 11.8173 11.8173 11.8505 11.8505 11.9876 11.9876 11.9972 11.9972 k = 0.5000-0.0000 0.2315 ( 5636 PWs) bands (ev): -10.2745 -10.2745 -10.2646 -10.2646 -9.6776 -9.6776 -9.6685 -9.6685 -9.3230 -9.3230 -9.3040 -9.3040 -9.1170 -9.1170 -9.1021 -9.1021 2.1789 2.1789 2.1806 2.1806 2.4904 2.4904 2.4918 2.4918 2.9616 2.9616 2.9751 2.9751 3.3100 3.3100 3.3259 3.3259 3.6498 3.6498 3.6513 3.6513 4.1247 4.1247 4.1339 4.1339 4.8694 4.8694 4.8798 4.8798 5.3804 5.3804 5.4009 5.4009 5.5633 5.5633 5.5652 5.5652 6.0531 6.0531 6.0647 6.0647 6.1792 6.1792 6.1825 6.1825 6.5609 6.5609 6.5685 6.5685 11.2551 11.2551 11.2655 11.2655 11.8275 11.8275 11.8613 11.8613 11.9976 11.9976 12.0075 12.0075 k = 0.5000-0.0000 0.2150 ( 5636 PWs) bands (ev): -10.2813 -10.2813 -10.2722 -10.2722 -9.6665 -9.6665 -9.6568 -9.6568 -9.3292 -9.3292 -9.3102 -9.3102 -9.1138 -9.1138 -9.0999 -9.0999 2.1627 2.1627 2.1643 2.1643 2.4907 2.4907 2.4922 2.4922 2.9507 2.9507 2.9635 2.9635 3.3084 3.3084 3.3222 3.3222 3.6337 3.6337 3.6344 3.6344 4.1233 4.1233 4.1325 4.1325 4.8945 4.8945 4.9052 4.9052 5.4010 5.4010 5.4238 5.4238 5.5552 5.5552 5.5602 5.5602 6.0740 6.0740 6.0873 6.0873 6.1780 6.1780 6.1828 6.1828 6.5678 6.5678 6.5749 6.5749 11.2485 11.2485 11.2584 11.2584 11.8366 11.8366 11.8711 11.8711 12.0023 12.0023 12.0135 12.0135 k = 0.5000-0.0000 0.1984 ( 5640 PWs) bands (ev): -10.2877 -10.2877 -10.2794 -10.2794 -9.6556 -9.6556 -9.6454 -9.6454 -9.3354 -9.3354 -9.3166 -9.3166 -9.1106 -9.1106 -9.0979 -9.0979 2.1467 2.1467 2.1482 2.1482 2.4929 2.4929 2.4945 2.4945 2.9391 2.9391 2.9512 2.9512 3.3025 3.3025 3.3141 3.3141 3.6216 3.6216 3.6219 3.6219 4.1240 4.1240 4.1329 4.1329 4.9190 4.9190 4.9298 4.9298 5.4177 5.4177 5.4428 5.4428 5.5478 5.5478 5.5562 5.5562 6.0909 6.0909 6.1048 6.1048 6.1825 6.1825 6.1882 6.1882 6.5741 6.5741 6.5806 6.5806 11.2433 11.2433 11.2525 11.2525 11.8443 11.8443 11.8794 11.8794 12.0029 12.0029 12.0158 12.0158 k = 0.5000-0.0000 0.1819 ( 5646 PWs) bands (ev): -10.2937 -10.2937 -10.2863 -10.2863 -9.6448 -9.6448 -9.6343 -9.6343 -9.3415 -9.3415 -9.3229 -9.3229 -9.1077 -9.1077 -9.0960 -9.0960 2.1312 2.1312 2.1326 2.1326 2.4966 2.4966 2.4983 2.4983 2.9271 2.9271 2.9383 2.9383 3.2930 3.2930 3.3025 3.3025 3.6125 3.6125 3.6139 3.6139 4.1264 4.1264 4.1351 4.1351 4.9429 4.9429 4.9537 4.9537 5.4304 5.4304 5.4575 5.4575 5.5417 5.5417 5.5533 5.5533 6.1025 6.1025 6.1154 6.1154 6.1946 6.1946 6.1994 6.1994 6.5796 6.5796 6.5855 6.5855 11.2392 11.2392 11.2479 11.2479 11.8504 11.8504 11.8856 11.8856 12.0010 12.0010 12.0157 12.0157 k = 0.5000-0.0000 0.1654 ( 5650 PWs) bands (ev): -10.2993 -10.2993 -10.2926 -10.2926 -9.6343 -9.6343 -9.6236 -9.6236 -9.3474 -9.3474 -9.3293 -9.3293 -9.1049 -9.1049 -9.0943 -9.0943 2.1164 2.1164 2.1176 2.1176 2.5016 2.5016 2.5033 2.5033 2.9146 2.9146 2.9249 2.9249 3.2809 3.2809 3.2884 3.2884 3.6063 3.6063 3.6086 3.6086 4.1303 4.1303 4.1386 4.1386 4.9660 4.9660 4.9766 4.9766 5.4393 5.4393 5.4674 5.4674 5.5374 5.5374 5.5514 5.5514 6.1093 6.1093 6.1201 6.1201 6.2127 6.2127 6.2157 6.2157 6.5844 6.5844 6.5897 6.5897 11.2362 11.2362 11.2443 11.2443 11.8547 11.8547 11.8891 11.8891 11.9986 11.9986 12.0142 12.0142 k = 0.5000-0.0000 0.1488 ( 5650 PWs) bands (ev): -10.3045 -10.3045 -10.2985 -10.2985 -9.6243 -9.6243 -9.6135 -9.6135 -9.3530 -9.3530 -9.3357 -9.3357 -9.1023 -9.1023 -9.0927 -9.0927 2.1026 2.1026 2.1037 2.1037 2.5077 2.5077 2.5094 2.5094 2.9019 2.9019 2.9113 2.9113 3.2673 3.2673 3.2730 3.2730 3.6023 3.6023 3.6052 3.6052 4.1354 4.1354 4.1432 4.1432 4.9882 4.9882 4.9985 4.9985 5.4446 5.4446 5.4723 5.4723 5.5354 5.5354 5.5504 5.5504 6.1131 6.1131 6.1217 6.1217 6.2336 6.2336 6.2348 6.2348 6.5885 6.5885 6.5932 6.5932 11.2342 11.2342 11.2417 11.2417 11.8570 11.8570 11.8894 11.8894 11.9972 11.9972 12.0125 12.0125 k = 0.5000-0.0000 0.1323 ( 5664 PWs) bands (ev): -10.3092 -10.3092 -10.3039 -10.3039 -9.6146 -9.6146 -9.6040 -9.6040 -9.3584 -9.3584 -9.3419 -9.3419 -9.0999 -9.0999 -9.0914 -9.0914 2.0898 2.0898 2.0908 2.0908 2.5146 2.5146 2.5163 2.5163 2.8891 2.8891 2.8975 2.8975 3.2532 3.2532 3.2574 3.2574 3.5998 3.5998 3.6031 3.6031 4.1414 4.1414 4.1486 4.1486 5.0093 5.0093 5.0191 5.0191 5.4471 5.4471 5.4727 5.4727 5.5355 5.5355 5.5499 5.5499 6.1154 6.1154 6.1222 6.1222 6.2550 6.2550 6.2550 6.2550 6.5919 6.5919 6.5961 6.5961 11.2331 11.2331 11.2399 11.2399 11.8575 11.8575 11.8867 11.8867 11.9975 11.9975 12.0113 12.0113 k = 0.5000-0.0000 0.1158 ( 5666 PWs) bands (ev): -10.3133 -10.3133 -10.3087 -10.3087 -9.6055 -9.6055 -9.5953 -9.5953 -9.3634 -9.3634 -9.3480 -9.3480 -9.0977 -9.0977 -9.0903 -9.0903 2.0783 2.0783 2.0791 2.0791 2.5222 2.5222 2.5237 2.5237 2.8764 2.8764 2.8838 2.8838 3.2394 3.2394 3.2425 3.2425 3.5982 3.5982 3.6016 3.6016 4.1478 4.1478 4.1543 4.1543 5.0292 5.0292 5.0383 5.0383 5.4475 5.4475 5.4699 5.4699 5.5368 5.5368 5.5496 5.5496 6.1169 6.1169 6.1224 6.1224 6.2748 6.2748 6.2756 6.2756 6.5947 6.5947 6.5983 6.5983 11.2327 11.2327 11.2389 11.2389 11.8564 11.8564 11.8815 11.8815 11.9996 11.9996 12.0110 12.0110 k = 0.5000-0.0000 0.0992 ( 5672 PWs) bands (ev): -10.3169 -10.3169 -10.3130 -10.3130 -9.5971 -9.5971 -9.5875 -9.5875 -9.3679 -9.3679 -9.3539 -9.3539 -9.0957 -9.0957 -9.0893 -9.0893 2.0681 2.0681 2.0688 2.0688 2.5300 2.5300 2.5315 2.5315 2.8641 2.8641 2.8705 2.8705 3.2265 3.2265 3.2288 3.2288 3.5972 3.5972 3.6004 3.6004 4.1542 4.1542 4.1600 4.1600 5.0475 5.0475 5.0558 5.0558 5.4464 5.4464 5.4651 5.4651 5.5385 5.5385 5.5492 5.5492 6.1183 6.1183 6.1226 6.1226 6.2934 6.2934 6.2945 6.2945 6.5970 6.5970 6.6000 6.6000 11.2329 11.2329 11.2383 11.2383 11.8539 11.8539 11.8747 11.8747 12.0028 12.0028 12.0116 12.0116 k = 0.5000-0.0000 0.0827 ( 5664 PWs) bands (ev): -10.3199 -10.3199 -10.3167 -10.3167 -9.5894 -9.5894 -9.5808 -9.5808 -9.3717 -9.3717 -9.3594 -9.3594 -9.0939 -9.0939 -9.0886 -9.0886 2.0593 2.0593 2.0599 2.0599 2.5379 2.5379 2.5391 2.5391 2.8525 2.8525 2.8578 2.8578 3.2152 3.2152 3.2168 3.2168 3.5965 3.5965 3.5995 3.5995 4.1605 4.1605 4.1654 4.1654 5.0640 5.0640 5.0713 5.0713 5.4445 5.4445 5.4596 5.4596 5.5400 5.5400 5.5485 5.5485 6.1196 6.1196 6.1229 6.1229 6.3101 6.3101 6.3114 6.3114 6.5987 6.5987 6.6011 6.6011 11.2335 11.2335 11.2381 11.2381 11.8508 11.8508 11.8674 11.8674 12.0067 12.0067 12.0129 12.0129 k = 0.5000-0.0000 0.0661 ( 5660 PWs) bands (ev): -10.3224 -10.3224 -10.3198 -10.3198 -9.5827 -9.5827 -9.5752 -9.5752 -9.3748 -9.3748 -9.3644 -9.3644 -9.0924 -9.0924 -9.0881 -9.0881 2.0521 2.0521 2.0525 2.0525 2.5453 2.5453 2.5463 2.5463 2.8420 2.8420 2.8463 2.8463 3.2056 3.2056 3.2067 3.2067 3.5961 3.5961 3.5986 3.5986 4.1662 4.1662 4.1701 4.1701 5.0785 5.0785 5.0845 5.0845 5.4422 5.4422 5.4539 5.4539 5.5412 5.5412 5.5477 5.5477 6.1208 6.1208 6.1233 6.1233 6.3244 6.3244 6.3257 6.3257 6.5999 6.5999 6.6019 6.6019 11.2344 11.2344 11.2381 11.2381 11.8476 11.8476 11.8602 11.8602 12.0106 12.0106 12.0147 12.0147 k = 0.5000-0.0000 0.0496 ( 5662 PWs) bands (ev): -10.3242 -10.3242 -10.3223 -10.3223 -9.5769 -9.5769 -9.5710 -9.5710 -9.3770 -9.3770 -9.3689 -9.3689 -9.0910 -9.0910 -9.0879 -9.0879 2.0464 2.0464 2.0467 2.0467 2.5518 2.5518 2.5526 2.5526 2.8332 2.8332 2.8364 2.8364 3.1980 3.1980 3.1987 3.1987 3.5959 3.5959 3.5979 3.5979 4.1710 4.1710 4.1740 4.1740 5.0904 5.0904 5.0951 5.0951 5.4402 5.4402 5.4487 5.4487 5.5420 5.5420 5.5467 5.5467 6.1219 6.1219 6.1237 6.1237 6.3360 6.3360 6.3371 6.3371 6.6009 6.6009 6.6023 6.6023 11.2353 11.2353 11.2382 11.2382 11.8447 11.8447 11.8539 11.8539 12.0140 12.0140 12.0166 12.0166 k = 0.5000-0.0000 0.0331 ( 5660 PWs) bands (ev): -10.3255 -10.3255 -10.3242 -10.3242 -9.5724 -9.5724 -9.5682 -9.5682 -9.3782 -9.3782 -9.3726 -9.3726 -9.0899 -9.0899 -9.0878 -9.0878 2.0423 2.0423 2.0426 2.0426 2.5570 2.5570 2.5575 2.5575 2.8265 2.8265 2.8286 2.8286 3.1925 3.1925 3.1929 3.1929 3.5958 3.5958 3.5972 3.5972 4.1747 4.1747 4.1768 4.1768 5.0995 5.0995 5.1028 5.1028 5.4388 5.4388 5.4443 5.4443 5.5426 5.5426 5.5457 5.5457 6.1228 6.1228 6.1240 6.1240 6.3446 6.3446 6.3454 6.3454 6.6015 6.6015 6.6024 6.6024 11.2363 11.2363 11.2382 11.2382 11.8428 11.8428 11.8487 11.8487 12.0167 12.0167 12.0181 12.0181 k = 0.5000-0.0000 0.0165 ( 5658 PWs) bands (ev): -10.3261 -10.3261 -10.3254 -10.3254 -9.5691 -9.5691 -9.5670 -9.5670 -9.3784 -9.3784 -9.3755 -9.3755 -9.0891 -9.0891 -9.0880 -9.0880 2.0399 2.0399 2.0400 2.0400 2.5603 2.5603 2.5606 2.5606 2.8225 2.8225 2.8235 2.8235 3.1892 3.1892 3.1894 3.1894 3.5959 3.5959 3.5966 3.5966 4.1773 4.1773 4.1783 4.1783 5.1055 5.1055 5.1071 5.1071 5.4383 5.4383 5.4410 5.4410 5.5432 5.5432 5.5447 5.5447 6.1235 6.1235 6.1241 6.1241 6.3499 6.3499 6.3503 6.3503 6.6019 6.6019 6.6024 6.6024 11.2371 11.2371 11.2381 11.2381 11.8420 11.8420 11.8449 11.8449 12.0185 12.0185 12.0191 12.0191 k = 0.5000-0.0000-0.0000 ( 5658 PWs) bands (ev): -10.3261 -10.3261 -10.3261 -10.3261 -9.5673 -9.5673 -9.5673 -9.5673 -9.3775 -9.3775 -9.3775 -9.3775 -9.0884 -9.0884 -9.0884 -9.0884 2.0391 2.0391 2.0391 2.0391 2.5616 2.5616 2.5616 2.5616 2.8214 2.8214 2.8214 2.8214 3.1882 3.1882 3.1882 3.1882 3.5962 3.5962 3.5962 3.5962 4.1785 4.1785 4.1785 4.1785 5.1080 5.1080 5.1080 5.1080 5.4390 5.4390 5.4390 5.4390 5.5439 5.5439 5.5439 5.5439 6.1239 6.1239 6.1239 6.1239 6.3518 6.3518 6.3518 6.3518 6.6022 6.6022 6.6022 6.6022 11.2377 11.2377 11.2377 11.2377 11.8427 11.8427 11.8427 11.8427 12.0192 12.0192 12.0192 12.0192 k = 0.0000 0.0000 0.4961 ( 5646 PWs) bands (ev): -10.4171 -10.4171 -10.4171 -10.4171 -9.5881 -9.5881 -9.5881 -9.5881 -9.2673 -9.2673 -9.2673 -9.2673 -9.0828 -9.0828 -9.0828 -9.0828 2.1001 2.1001 2.1001 2.1001 2.8520 2.8520 2.8520 2.8520 3.0682 3.0682 3.0682 3.0682 3.4837 3.4837 3.4837 3.4837 3.9167 3.9167 3.9167 3.9167 4.0644 4.0644 4.0644 4.0644 4.6033 4.6033 4.6033 4.6033 4.8141 4.8141 4.8141 4.8141 5.2175 5.2175 5.2175 5.2175 5.8989 5.8989 5.8989 5.8989 6.4015 6.4015 6.4015 6.4015 6.6244 6.6244 6.6244 6.6244 10.8171 10.8171 10.8171 10.8171 11.4659 11.4659 11.4659 11.4659 12.3248 12.3248 12.3248 12.3248 k = 0.0161-0.0000 0.4961 ( 5648 PWs) bands (ev): -10.4170 -10.4170 -10.4163 -10.4163 -9.5885 -9.5885 -9.5885 -9.5885 -9.2683 -9.2683 -9.2660 -9.2660 -9.0834 -9.0834 -9.0827 -9.0827 2.1007 2.1007 2.1008 2.1008 2.8509 2.8509 2.8510 2.8510 3.0682 3.0682 3.0699 3.0699 3.4828 3.4828 3.4830 3.4830 3.9094 3.9094 3.9102 3.9102 4.0712 4.0712 4.0734 4.0734 4.5998 4.5998 4.6010 4.6010 4.8127 4.8127 4.8157 4.8157 5.2217 5.2217 5.2227 5.2227 5.8982 5.8982 5.8993 5.8993 6.4006 6.4006 6.4010 6.4010 6.6229 6.6229 6.6231 6.6231 10.8176 10.8176 10.8190 10.8190 11.4653 11.4653 11.4667 11.4667 12.3212 12.3212 12.3264 12.3264 k = 0.0323-0.0000 0.4961 ( 5652 PWs) bands (ev): -10.4161 -10.4161 -10.4146 -10.4146 -9.5898 -9.5898 -9.5897 -9.5897 -9.2688 -9.2688 -9.2642 -9.2642 -9.0846 -9.0846 -9.0832 -9.0832 2.1026 2.1026 2.1027 2.1027 2.8478 2.8478 2.8481 2.8481 3.0696 3.0696 3.0730 3.0730 3.4805 3.4805 3.4808 3.4808 3.8913 3.8913 3.8928 3.8928 4.0906 4.0906 4.0949 4.0949 4.5906 4.5906 4.5928 4.5928 4.8122 4.8122 4.8177 4.8177 5.2349 5.2349 5.2366 5.2366 5.8972 5.8972 5.8995 5.8995 6.3983 6.3983 6.3990 6.3990 6.6185 6.6185 6.6190 6.6190 10.8206 10.8206 10.8235 10.8235 11.4651 11.4651 11.4679 11.4679 12.3154 12.3154 12.3260 12.3260 k = 0.0484-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.4142 -10.4142 -10.4120 -10.4120 -9.5919 -9.5919 -9.5918 -9.5918 -9.2690 -9.2690 -9.2621 -9.2621 -9.0864 -9.0864 -9.0842 -9.0842 2.1057 2.1057 2.1059 2.1059 2.8431 2.8431 2.8434 2.8434 3.0724 3.0724 3.0773 3.0773 3.4770 3.4770 3.4776 3.4776 3.8672 3.8672 3.8696 3.8696 4.1176 4.1176 4.1240 4.1240 4.5760 4.5760 4.5787 4.5787 4.8137 4.8137 4.8211 4.8211 5.2556 5.2556 5.2576 5.2576 5.8960 5.8960 5.8996 5.8996 6.3945 6.3945 6.3955 6.3955 6.6116 6.6116 6.6122 6.6122 10.8262 10.8262 10.8305 10.8305 11.4652 11.4652 11.4693 11.4693 12.3075 12.3075 12.3236 12.3236 k = 0.0645-0.0000 0.4961 ( 5652 PWs) bands (ev): -10.4114 -10.4114 -10.4085 -10.4085 -9.5949 -9.5949 -9.5948 -9.5948 -9.2687 -9.2687 -9.2597 -9.2597 -9.0886 -9.0886 -9.0858 -9.0858 2.1100 2.1100 2.1102 2.1102 2.8368 2.8368 2.8371 2.8371 3.0759 3.0759 3.0824 3.0824 3.4729 3.4729 3.4738 3.4738 3.8402 3.8402 3.8433 3.8433 4.1492 4.1492 4.1575 4.1575 4.5565 4.5565 4.5594 4.5594 4.8184 4.8184 4.8267 4.8267 5.2819 5.2819 5.2837 5.2837 5.8945 5.8945 5.8996 5.8996 6.3892 6.3892 6.3905 6.3905 6.6021 6.6021 6.6030 6.6030 10.8341 10.8341 10.8398 10.8398 11.4658 11.4658 11.4712 11.4712 12.2972 12.2972 12.3190 12.3190 k = 0.0806-0.0000 0.4961 ( 5646 PWs) bands (ev): -10.4078 -10.4078 -10.4041 -10.4041 -9.5985 -9.5985 -9.5985 -9.5985 -9.2680 -9.2680 -9.2569 -9.2569 -9.0913 -9.0913 -9.0879 -9.0879 2.1154 2.1154 2.1157 2.1157 2.8295 2.8295 2.8295 2.8295 3.0797 3.0797 3.0877 3.0877 3.4687 3.4687 3.4700 3.4700 3.8118 3.8118 3.8155 3.8155 4.1834 4.1834 4.1935 4.1935 4.5331 4.5331 4.5361 4.5361 4.8264 4.8264 4.8352 4.8352 5.3119 5.3119 5.3130 5.3130 5.8929 5.8929 5.8997 5.8997 6.3826 6.3826 6.3841 6.3841 6.5905 6.5905 6.5916 6.5916 10.8444 10.8444 10.8514 10.8514 11.4669 11.4669 11.4735 11.4735 12.2845 12.2845 12.3122 12.3122 k = 0.0968-0.0000 0.4961 ( 5650 PWs) bands (ev): -10.4033 -10.4033 -10.3988 -10.3988 -9.6031 -9.6031 -9.6029 -9.6029 -9.2669 -9.2669 -9.2540 -9.2540 -9.0945 -9.0945 -9.0905 -9.0905 2.1218 2.1218 2.1223 2.1223 2.8209 2.8209 2.8212 2.8212 3.0834 3.0834 3.0927 3.0927 3.4648 3.4648 3.4667 3.4667 3.7832 3.7832 3.7873 3.7873 4.2191 4.2191 4.2307 4.2307 4.5070 4.5070 4.5103 4.5103 4.8377 4.8377 4.8467 4.8467 5.3437 5.3437 5.3437 5.3437 5.8914 5.8914 5.9002 5.9002 6.3746 6.3746 6.3763 6.3763 6.5770 6.5770 6.5784 6.5784 10.8568 10.8568 10.8653 10.8653 11.4686 11.4686 11.4765 11.4765 12.2694 12.2694 12.3031 12.3031 k = 0.1129-0.0000 0.4961 ( 5646 PWs) bands (ev): -10.3980 -10.3980 -10.3928 -10.3928 -9.6084 -9.6084 -9.6080 -9.6080 -9.2655 -9.2655 -9.2510 -9.2510 -9.0980 -9.0980 -9.0935 -9.0935 2.1292 2.1292 2.1299 2.1299 2.8116 2.8116 2.8123 2.8123 3.0865 3.0865 3.0972 3.0972 3.4612 3.4612 3.4638 3.4638 3.7554 3.7554 3.7596 3.7596 4.2553 4.2553 4.2677 4.2677 4.4795 4.4795 4.4840 4.4840 4.8518 4.8518 4.8610 4.8610 5.3741 5.3741 5.3754 5.3754 5.8903 5.8903 5.9014 5.9014 6.3652 6.3652 6.3669 6.3669 6.5623 6.5623 6.5639 6.5639 10.8714 10.8714 10.8811 10.8811 11.4710 11.4710 11.4800 11.4800 12.2519 12.2519 12.2914 12.2914 k = 0.1290-0.0000 0.4961 ( 5654 PWs) bands (ev): -10.3919 -10.3919 -10.3859 -10.3859 -9.6144 -9.6144 -9.6138 -9.6138 -9.2639 -9.2639 -9.2478 -9.2478 -9.1018 -9.1018 -9.0970 -9.0970 2.1375 2.1375 2.1383 2.1383 2.8017 2.8017 2.8029 2.8029 3.0888 3.0888 3.1009 3.1009 3.4574 3.4574 3.4609 3.4609 3.7298 3.7298 3.7339 3.7339 4.2905 4.2905 4.3020 4.3020 4.4525 4.4525 4.4599 4.4599 4.8683 4.8683 4.8779 4.8779 5.4026 5.4026 5.4056 5.4056 5.8900 5.8900 5.9038 5.9038 6.3544 6.3544 6.3560 6.3560 6.5467 6.5467 6.5486 6.5486 10.8880 10.8880 10.8989 10.8989 11.4743 11.4743 11.4844 11.4844 12.2321 12.2321 12.2772 12.2772 k = 0.1452-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.3849 -10.3849 -10.3782 -10.3782 -9.6211 -9.6211 -9.6202 -9.6202 -9.2620 -9.2620 -9.2447 -9.2447 -9.1059 -9.1059 -9.1008 -9.1008 2.1466 2.1466 2.1476 2.1476 2.7915 2.7915 2.7932 2.7932 3.0903 3.0903 3.1037 3.1037 3.4521 3.4521 3.4567 3.4567 3.7082 3.7082 3.7118 3.7118 4.3212 4.3212 4.3276 4.3276 4.4295 4.4295 4.4442 4.4442 4.8870 4.8870 4.8971 4.8971 5.4277 5.4277 5.4327 5.4327 5.8912 5.8912 5.9078 5.9078 6.3421 6.3421 6.3436 6.3436 6.5309 6.5309 6.5330 6.5330 10.9063 10.9063 10.9185 10.9185 11.4786 11.4786 11.4897 11.4897 12.2103 12.2103 12.2604 12.2604 k = 0.1613-0.0000 0.4961 ( 5658 PWs) bands (ev): -10.3773 -10.3773 -10.3698 -10.3698 -9.6284 -9.6284 -9.6273 -9.6273 -9.2600 -9.2600 -9.2416 -9.2416 -9.1102 -9.1102 -9.1049 -9.1049 2.1563 2.1563 2.1575 2.1575 2.7811 2.7811 2.7833 2.7833 3.0911 3.0911 3.1057 3.1057 3.4434 3.4434 3.4495 3.4495 3.6928 3.6928 3.6957 3.6957 4.3342 4.3342 4.3375 4.3375 4.4203 4.4203 4.4470 4.4470 4.9076 4.9076 4.9184 4.9184 5.4481 5.4481 5.4550 5.4550 5.8944 5.8944 5.9139 5.9139 6.3284 6.3284 6.3297 6.3297 6.5153 6.5153 6.5177 6.5177 10.9264 10.9264 10.9396 10.9396 11.4840 11.4840 11.4959 11.4959 12.1866 12.1866 12.2413 12.2413 k = 0.1774-0.0000 0.4961 ( 5664 PWs) bands (ev): -10.3689 -10.3689 -10.3607 -10.3607 -9.6364 -9.6364 -9.6348 -9.6348 -9.2578 -9.2578 -9.2388 -9.2388 -9.1144 -9.1144 -9.1093 -9.1093 2.1665 2.1665 2.1679 2.1679 2.7707 2.7707 2.7735 2.7735 3.0914 3.0914 3.1072 3.1072 3.4297 3.4297 3.4372 3.4372 3.6856 3.6856 3.6877 3.6877 4.3215 4.3215 4.3295 4.3295 4.4348 4.4348 4.4686 4.4686 4.9300 4.9300 4.9415 4.9415 5.4628 5.4628 5.4713 5.4713 5.9003 5.9003 5.9226 5.9226 6.3136 6.3136 6.3145 6.3145 6.5005 6.5005 6.5031 6.5031 10.9479 10.9479 10.9621 10.9621 11.4906 11.4906 11.5033 11.5033 12.1616 12.1616 12.2200 12.2200 k = 0.1935-0.0000 0.4961 ( 5672 PWs) bands (ev): -10.3599 -10.3599 -10.3508 -10.3508 -9.6449 -9.6449 -9.6429 -9.6429 -9.2555 -9.2555 -9.2361 -9.2361 -9.1187 -9.1187 -9.1139 -9.1139 2.1771 2.1771 2.1787 2.1787 2.7605 2.7605 2.7638 2.7638 3.0914 3.0914 3.1084 3.1084 3.4100 3.4100 3.4188 3.4188 3.6875 3.6875 3.6888 3.6888 4.3003 4.3003 4.3085 4.3085 4.4614 4.4614 4.4978 4.4978 4.9541 4.9541 4.9664 4.9664 5.4709 5.4709 5.4806 5.4806 5.9092 5.9092 5.9338 5.9338 6.2978 6.2978 6.2984 6.2984 6.4869 6.4869 6.4896 6.4896 10.9708 10.9708 10.9859 10.9859 11.4985 11.4985 11.5118 11.5118 12.1354 12.1354 12.1969 12.1969 k = 0.2097-0.0000 0.4961 ( 5670 PWs) bands (ev): -10.3503 -10.3503 -10.3404 -10.3404 -9.6539 -9.6539 -9.6515 -9.6515 -9.2533 -9.2533 -9.2338 -9.2338 -9.1228 -9.1228 -9.1186 -9.1186 2.1879 2.1879 2.1897 2.1897 2.7506 2.7506 2.7545 2.7545 3.0913 3.0913 3.1095 3.1095 3.3849 3.3849 3.3949 3.3949 3.6979 3.6979 3.6987 3.6987 4.2768 4.2768 4.2845 4.2845 4.4899 4.4899 4.5279 4.5279 4.9798 4.9798 4.9929 4.9929 5.4723 5.4723 5.4824 5.4824 5.9209 5.9209 5.9470 5.9470 6.2816 6.2816 6.2820 6.2820 6.4746 6.4746 6.4774 6.4774 10.9948 10.9948 11.0108 11.0108 11.5077 11.5077 11.5214 11.5214 12.1083 12.1083 12.1722 12.1722 k = 0.2258-0.0000 0.4961 ( 5666 PWs) bands (ev): -10.3401 -10.3401 -10.3294 -10.3294 -9.6634 -9.6634 -9.6606 -9.6606 -9.2510 -9.2510 -9.2320 -9.2320 -9.1266 -9.1266 -9.1234 -9.1234 2.1987 2.1987 2.2007 2.2007 2.7413 2.7413 2.7456 2.7456 3.0914 3.0914 3.1106 3.1106 3.3557 3.3557 3.3667 3.3667 3.7156 3.7156 3.7160 3.7160 4.2535 4.2535 4.2606 4.2606 4.5169 4.5169 4.5562 4.5562 5.0071 5.0071 5.0209 5.0209 5.4673 5.4673 5.4772 5.4772 5.9346 5.9346 5.9613 5.9613 6.2659 6.2659 6.2662 6.2662 6.4636 6.4636 6.4666 6.4666 11.0199 11.0199 11.0366 11.0366 11.5183 11.5183 11.5323 11.5323 12.0807 12.0807 12.1463 12.1463 k = 0.2419-0.0000 0.4961 ( 5666 PWs) bands (ev): -10.3294 -10.3294 -10.3179 -10.3179 -9.6733 -9.6733 -9.6701 -9.6701 -9.2488 -9.2488 -9.2307 -9.2307 -9.1300 -9.1300 -9.1281 -9.1281 2.2095 2.2095 2.2117 2.2117 2.7326 2.7326 2.7374 2.7374 3.0917 3.0917 3.1117 3.1117 3.3239 3.3239 3.3359 3.3359 3.7390 3.7390 3.7391 3.7391 4.2315 4.2315 4.2380 4.2380 4.5410 4.5410 4.5813 4.5813 5.0357 5.0357 5.0499 5.0499 5.4567 5.4567 5.4656 5.4656 5.9488 5.9488 5.9752 5.9752 6.2515 6.2515 6.2522 6.2522 6.4541 6.4541 6.4571 6.4571 11.0460 11.0460 11.0632 11.0632 11.5301 11.5301 11.5443 11.5443 12.0528 12.0528 12.1195 12.1195 k = 0.2581-0.0000 0.4961 ( 5666 PWs) bands (ev): -10.3183 -10.3183 -10.3060 -10.3060 -9.6835 -9.6835 -9.6799 -9.6799 -9.2468 -9.2468 -9.2300 -9.2300 -9.1329 -9.1329 -9.1328 -9.1328 2.2201 2.2201 2.2224 2.2224 2.7249 2.7249 2.7300 2.7300 3.0920 3.0920 3.1126 3.1126 3.2910 3.2910 3.3040 3.3040 3.7667 3.7667 3.7667 3.7667 4.2113 4.2113 4.2172 4.2172 4.5617 4.5617 4.6025 4.6025 5.0649 5.0649 5.0793 5.0793 5.4417 5.4417 5.4491 5.4491 5.9618 5.9618 5.9867 5.9867 6.2398 6.2398 6.2415 6.2415 6.4457 6.4457 6.4487 6.4487 11.0728 11.0728 11.0905 11.0905 11.5432 11.5432 11.5573 11.5573 12.0247 12.0247 12.0919 12.0919 k = 0.2742-0.0000 0.4961 ( 5664 PWs) bands (ev): -10.3068 -10.3068 -10.2937 -10.2937 -9.6940 -9.6940 -9.6901 -9.6901 -9.2449 -9.2449 -9.2299 -9.2299 -9.1373 -9.1373 -9.1353 -9.1353 2.2303 2.2303 2.2328 2.2328 2.7183 2.7183 2.7236 2.7236 3.0920 3.0920 3.1126 3.1126 3.2581 3.2581 3.2728 3.2728 3.7974 3.7974 3.7977 3.7977 4.1934 4.1934 4.1986 4.1986 4.5786 4.5786 4.6195 4.6195 5.0935 5.0935 5.1079 5.1079 5.4243 5.4243 5.4297 5.4297 5.9716 5.9716 5.9940 5.9940 6.2320 6.2320 6.2355 6.2355 6.4384 6.4384 6.4415 6.4415 11.1003 11.1003 11.1184 11.1184 11.5572 11.5572 11.5711 11.5711 11.9966 11.9966 12.0638 12.0638 k = 0.2903-0.0000 0.4961 ( 5658 PWs) bands (ev): -10.2951 -10.2951 -10.2812 -10.2812 -9.7047 -9.7047 -9.7005 -9.7005 -9.2433 -9.2433 -9.2304 -9.2304 -9.1416 -9.1416 -9.1371 -9.1371 2.2401 2.2401 2.2426 2.2426 2.7130 2.7130 2.7185 2.7185 3.0907 3.0907 3.1103 3.1103 3.2270 3.2270 3.2441 3.2441 3.8305 3.8305 3.8309 3.8309 4.1781 4.1781 4.1827 4.1827 4.5917 4.5917 4.6323 4.6323 5.1193 5.1193 5.1335 5.1335 5.4069 5.4069 5.4101 5.4101 5.9768 5.9768 5.9958 5.9958 6.2292 6.2292 6.2350 6.2350 6.4321 6.4321 6.4351 6.4351 11.1285 11.1285 11.1467 11.1467 11.5721 11.5721 11.5855 11.5855 11.9686 11.9686 12.0352 12.0352 k = 0.3065-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.2832 -10.2832 -10.2684 -10.2684 -9.7156 -9.7156 -9.7112 -9.7112 -9.2418 -9.2418 -9.2315 -9.2315 -9.1456 -9.1456 -9.1383 -9.1383 2.2493 2.2493 2.2517 2.2517 2.7091 2.7091 2.7147 2.7147 3.0864 3.0864 3.1035 3.1035 3.1997 3.1997 3.2207 3.2207 3.8649 3.8649 3.8655 3.8655 4.1658 4.1658 4.1698 4.1698 4.6012 4.6012 4.6410 4.6410 5.1385 5.1385 5.1522 5.1522 5.3936 5.3936 5.3945 5.3945 5.9765 5.9765 5.9919 5.9919 6.2316 6.2316 6.2400 6.2400 6.4267 6.4267 6.4294 6.4294 11.1572 11.1572 11.1756 11.1756 11.5873 11.5873 11.6001 11.6001 11.9408 11.9408 12.0063 12.0063 k = 0.3226-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.2713 -10.2713 -10.2557 -10.2557 -9.7265 -9.7265 -9.7219 -9.7219 -9.2407 -9.2407 -9.2331 -9.2331 -9.1493 -9.1493 -9.1390 -9.1390 2.2578 2.2578 2.2602 2.2602 2.7069 2.7069 2.7125 2.7125 3.0763 3.0763 3.0898 3.0898 3.1792 3.1792 3.2050 3.2050 3.8998 3.8998 3.9005 3.9005 4.1571 4.1571 4.1604 4.1604 4.6075 4.6075 4.6463 4.6463 5.1464 5.1464 5.1588 5.1588 5.3886 5.3886 5.3895 5.3895 5.9709 5.9709 5.9829 5.9829 6.2387 6.2387 6.2491 6.2491 6.4221 6.4221 6.4244 6.4244 11.1865 11.1865 11.2048 11.2048 11.6024 11.6024 11.6145 11.6145 11.9131 11.9131 11.9772 11.9772 k = 0.3387-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.2595 -10.2595 -10.2430 -10.2430 -9.7373 -9.7373 -9.7326 -9.7326 -9.2398 -9.2398 -9.2350 -9.2350 -9.1525 -9.1525 -9.1392 -9.1392 2.2656 2.2656 2.2678 2.2678 2.7064 2.7064 2.7119 2.7119 3.0588 3.0588 3.0690 3.0690 3.1672 3.1672 3.1975 3.1975 3.9338 3.9338 3.9346 3.9346 4.1525 4.1525 4.1552 4.1552 4.6112 4.6112 4.6486 4.6486 5.1393 5.1393 5.1496 5.1496 5.3962 5.3962 5.3980 5.3980 5.9609 5.9609 5.9700 5.9700 6.2491 6.2491 6.2608 6.2608 6.4182 6.4182 6.4199 6.4199 11.2162 11.2162 11.2345 11.2345 11.6170 11.6170 11.6283 11.6283 11.8857 11.8857 11.9479 11.9479 k = 0.3548-0.0000 0.4961 ( 5656 PWs) bands (ev): -10.2479 -10.2479 -10.2305 -10.2305 -9.7479 -9.7479 -9.7432 -9.7432 -9.2392 -9.2392 -9.2372 -9.2372 -9.1554 -9.1554 -9.1391 -9.1391 2.2726 2.2726 2.2745 2.2745 2.7078 2.7078 2.7132 2.7132 3.0351 3.0351 3.0433 3.0433 3.1627 3.1627 3.1959 3.1959 3.9656 3.9656 3.9663 3.9663 4.1528 4.1528 4.1551 4.1551 4.6130 4.6130 4.6489 4.6489 5.1182 5.1182 5.1259 5.1259 5.4162 5.4162 5.4185 5.4185 5.9474 5.9474 5.9543 5.9543 6.2614 6.2614 6.2735 6.2735 6.4153 6.4153 6.4160 6.4160 11.2464 11.2464 11.2646 11.2646 11.6303 11.6303 11.6407 11.6407 11.8586 11.8586 11.9187 11.9187 k = 0.3710-0.0000 0.4961 ( 5660 PWs) bands (ev): -10.2367 -10.2367 -10.2184 -10.2184 -9.7582 -9.7582 -9.7535 -9.7535 -9.2396 -9.2396 -9.2388 -9.2388 -9.1579 -9.1579 -9.1387 -9.1387 2.2787 2.2787 2.2805 2.2805 2.7110 2.7110 2.7163 2.7163 3.0081 3.0081 3.0152 3.0152 3.1625 3.1625 3.1978 3.1978 3.9935 3.9935 3.9938 3.9938 4.1589 4.1589 4.1610 4.1610 4.6139 4.6139 4.6481 4.6481 5.0870 5.0870 5.0920 5.0920 5.4444 5.4444 5.4472 5.4472 5.9314 5.9314 5.9365 5.9365 6.2743 6.2743 6.2860 6.2860 6.4126 6.4126 6.4133 6.4133 11.2770 11.2770 11.2951 11.2951 11.6416 11.6416 11.6510 11.6510 11.8322 11.8322 11.8900 11.8900 k = 0.3871-0.0000 0.4961 ( 5654 PWs) bands (ev): -10.2260 -10.2260 -10.2069 -10.2069 -9.7680 -9.7680 -9.7634 -9.7634 -9.2419 -9.2419 -9.2387 -9.2387 -9.1599 -9.1599 -9.1382 -9.1382 2.2841 2.2841 2.2855 2.2855 2.7162 2.7162 2.7213 2.7213 2.9800 2.9800 2.9864 2.9864 3.1647 3.1647 3.2013 3.2013 4.0156 4.0156 4.0160 4.0160 4.1714 4.1714 4.1735 4.1735 4.6149 4.6149 4.6473 4.6473 5.0494 5.0494 5.0520 5.0520 5.4769 5.4769 5.4805 5.4805 5.9134 5.9134 5.9172 5.9172 6.2870 6.2870 6.2973 6.2973 6.4098 6.4098 6.4123 6.4123 11.3080 11.3080 11.3260 11.3260 11.6498 11.6498 11.6582 11.6582 11.8070 11.8070 11.8625 11.8625 k = 0.4032-0.0000 0.4961 ( 5650 PWs) bands (ev): -10.2161 -10.2161 -10.1963 -10.1963 -9.7771 -9.7771 -9.7727 -9.7727 -9.2441 -9.2441 -9.2388 -9.2388 -9.1615 -9.1615 -9.1376 -9.1376 2.2886 2.2886 2.2897 2.2897 2.7234 2.7234 2.7283 2.7283 2.9519 2.9519 2.9578 2.9578 3.1678 3.1678 3.2055 3.2055 4.0316 4.0316 4.0328 4.0328 4.1892 4.1892 4.1915 4.1915 4.6175 4.6175 4.6479 4.6479 5.0078 5.0078 5.0082 5.0082 5.5115 5.5115 5.5160 5.5160 5.8939 5.8939 5.8966 5.8966 6.2985 6.2985 6.3068 6.3068 6.4075 6.4075 6.4123 6.4123 11.3393 11.3393 11.3572 11.3572 11.6537 11.6537 11.6608 11.6608 11.7844 11.7844 11.8371 11.8371 k = 0.4194-0.0000 0.4961 ( 5646 PWs) bands (ev): -10.2072 -10.2072 -10.1866 -10.1866 -9.7853 -9.7853 -9.7811 -9.7811 -9.2462 -9.2462 -9.2389 -9.2389 -9.1629 -9.1629 -9.1369 -9.1369 2.2924 2.2924 2.2932 2.2932 2.7325 2.7325 2.7373 2.7373 2.9245 2.9245 2.9301 2.9301 3.1712 3.1712 3.2098 3.2098 4.0427 4.0427 4.0448 4.0448 4.2099 4.2099 4.2124 4.2124 4.6231 4.6231 4.6513 4.6513 4.9625 4.9625 4.9642 4.9642 5.5465 5.5465 5.5521 5.5521 5.8731 5.8731 5.8747 5.8747 6.3086 6.3086 6.3143 6.3143 6.4059 6.4059 6.4133 6.4133 11.3708 11.3708 11.3889 11.3889 11.6518 11.6518 11.6567 11.6567 11.7662 11.7662 11.8155 11.8155 k = 0.4355-0.0000 0.4961 ( 5652 PWs) bands (ev): -10.1995 -10.1995 -10.1782 -10.1782 -9.7924 -9.7924 -9.7885 -9.7885 -9.2479 -9.2479 -9.2392 -9.2392 -9.1639 -9.1639 -9.1363 -9.1363 2.2954 2.2954 2.2959 2.2959 2.7436 2.7436 2.7483 2.7483 2.8982 2.8982 2.9034 2.9034 3.1744 3.1744 3.2136 3.2136 4.0504 4.0504 4.0535 4.0535 4.2307 4.2307 4.2332 4.2332 4.6332 4.6332 4.6589 4.6589 4.9161 4.9161 4.9198 4.9198 5.5808 5.5808 5.5878 5.5878 5.8513 5.8513 5.8519 5.8519 6.3168 6.3168 6.3199 6.3199 6.4048 6.4048 6.4150 6.4150 11.4024 11.4024 11.4208 11.4208 11.6428 11.6428 11.6447 11.6447 11.7541 11.7541 11.7988 11.7988 k = 0.4516-0.0000 0.4961 ( 5650 PWs) bands (ev): -10.1933 -10.1933 -10.1714 -10.1714 -9.7983 -9.7983 -9.7945 -9.7945 -9.2493 -9.2493 -9.2394 -9.2394 -9.1646 -9.1646 -9.1358 -9.1358 2.2977 2.2977 2.2980 2.2980 2.7566 2.7566 2.7612 2.7612 2.8733 2.8733 2.8781 2.8781 3.1772 3.1772 3.2169 3.2169 4.0559 4.0559 4.0598 4.0598 4.2490 4.2490 4.2513 4.2513 4.6488 4.6488 4.6719 4.6719 4.8701 4.8701 4.8759 4.8759 5.6134 5.6134 5.6221 5.6221 5.8282 5.8282 5.8291 5.8291 6.3231 6.3231 6.3236 6.3236 6.4043 6.4043 6.4169 6.4169 11.4337 11.4337 11.4529 11.4529 11.6254 11.6254 11.6264 11.6264 11.7475 11.7475 11.7877 11.7877 k = 0.4677-0.0000 0.4961 ( 5646 PWs) bands (ev): -10.1886 -10.1886 -10.1663 -10.1663 -9.8026 -9.8026 -9.7991 -9.7991 -9.2504 -9.2504 -9.2396 -9.2396 -9.1651 -9.1651 -9.1355 -9.1355 2.2993 2.2993 2.2994 2.2994 2.7713 2.7713 2.7761 2.7761 2.8499 2.8499 2.8544 2.8544 3.1792 3.1792 3.2193 3.2193 4.0596 4.0596 4.0641 4.0641 4.2629 4.2629 4.2649 4.2649 4.6703 4.6703 4.6907 4.6907 4.8261 4.8261 4.8338 4.8338 5.6425 5.6425 5.6536 5.6536 5.8046 5.8046 5.8076 5.8076 6.3260 6.3260 6.3275 6.3275 6.4041 6.4041 6.4187 6.4187 11.4640 11.4640 11.4850 11.4850 11.6019 11.6019 11.6040 11.6040 11.7446 11.7446 11.7812 11.7812 k = 0.4839-0.0000 0.4961 ( 5638 PWs) bands (ev): -10.1857 -10.1857 -10.1631 -10.1631 -9.8052 -9.8052 -9.8018 -9.8018 -9.2510 -9.2510 -9.2398 -9.2398 -9.1653 -9.1653 -9.1352 -9.1352 2.3003 2.3003 2.3003 2.3003 2.7875 2.7875 2.7928 2.7928 2.8285 2.8285 2.8323 2.8323 3.1805 3.1805 3.2209 3.2209 4.0619 4.0619 4.0667 4.0667 4.2715 4.2715 4.2733 4.2733 4.6960 4.6960 4.7141 4.7141 4.7866 4.7866 4.7961 4.7961 5.6650 5.6650 5.6792 5.6792 5.7838 5.7838 5.7899 5.7899 6.3272 6.3272 6.3300 6.3300 6.4041 6.4041 6.4199 6.4199 11.4909 11.4909 11.5167 11.5167 11.5773 11.5773 11.5783 11.5783 11.7434 11.7434 11.7780 11.7781 k = 0.5000-0.0000 0.4961 ( 5644 PWs) bands (ev): -10.1848 -10.1848 -10.1621 -10.1621 -9.8061 -9.8061 -9.8028 -9.8028 -9.2512 -9.2512 -9.2398 -9.2398 -9.1654 -9.1654 -9.1351 -9.1351 2.3005 2.3005 2.3006 2.3006 2.8006 2.8006 2.8088 2.8088 2.8137 2.8137 2.8145 2.8145 3.1810 3.1810 3.2214 3.2214 4.0626 4.0626 4.0676 4.0676 4.2744 4.2744 4.2761 4.2761 4.7133 4.7133 4.7308 4.7308 4.7647 4.7647 4.7746 4.7746 5.6741 5.6741 5.6906 5.6906 5.7741 5.7741 5.7823 5.7823 6.3276 6.3276 6.3309 6.3309 6.4041 6.4041 6.4203 6.4203 11.5045 11.5045 11.5447 11.5447 11.5508 11.5508 11.5657 11.5657 11.7431 11.7431 11.7771 11.7771 Writing output data file ZrO2.save init_run : 0.14s CPU 0.27s WALL ( 1 calls) electrons : 407.91s CPU 412.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 407.90s CPU 412.77s 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 : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 284 calls) cegterg : 381.41s CPU 385.51s WALL ( 668 calls) Called by sum_band: Called by *egterg: h_psi : 199.71s CPU 202.45s WALL ( 10854 calls) s_psi : 9.80s CPU 9.84s WALL ( 10854 calls) g_psi : 0.67s CPU 0.59s WALL ( 9902 calls) cdiaghg : 141.33s CPU 142.96s WALL ( 10186 calls) cegterg:over : 19.65s CPU 19.71s WALL ( 9902 calls) cegterg:upda : 17.84s CPU 17.93s WALL ( 9902 calls) cegterg:last : 9.20s CPU 9.20s WALL ( 1690 calls) cdiaghg:chol : 8.27s CPU 8.32s WALL ( 10186 calls) cdiaghg:inve : 5.95s CPU 6.09s WALL ( 10186 calls) cdiaghg:para : 10.40s CPU 10.61s WALL ( 20372 calls) Called by h_psi: h_psi:vloc : 173.02s CPU 175.43s WALL ( 10854 calls) h_psi:vnl : 26.00s CPU 26.27s WALL ( 10854 calls) add_vuspsi : 11.36s CPU 11.32s WALL ( 10854 calls) General routines calbec : 14.61s CPU 14.91s WALL ( 10854 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 162.26s CPU 164.61s WALL ( 1550548 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.31s WALL ( 568 calls) Parallel routines fft_scatter : 55.16s CPU 55.46s WALL ( 1550571 calls) PWSCF : 7m10.04s CPU 7m38.40s WALL This run was terminated on: 21:10:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=