Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:37:46 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: ./KNa2Sb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 54 15 2143 1607 238 Max 67 55 16 2148 1623 241 Sum 2395 1969 559 77233 58071 8609 bravais-lattice index = 14 lattice parameter (alat) = 10.3425 a.u. unit-cell volume = 782.2749 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.342483 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Na 9.00 22.98980 Na( 1.00) Sb 5.00 121.76000 Sb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0121951 -0.0070409 0.0099573), wk = 0.0036232 k( 3) = ( 0.0243902 -0.0140817 0.0199145), wk = 0.0036232 k( 4) = ( 0.0365854 -0.0211226 0.0298718), wk = 0.0036232 k( 5) = ( 0.0487805 -0.0281634 0.0398291), wk = 0.0036232 k( 6) = ( 0.0609756 -0.0352043 0.0497864), wk = 0.0036232 k( 7) = ( 0.0731707 -0.0422451 0.0597437), wk = 0.0036232 k( 8) = ( 0.0853658 -0.0492860 0.0697009), wk = 0.0036232 k( 9) = ( 0.0975610 -0.0563269 0.0796582), wk = 0.0036232 k( 10) = ( 0.1097561 -0.0633677 0.0896155), wk = 0.0036232 k( 11) = ( 0.1219512 -0.0704086 0.0995728), wk = 0.0036232 k( 12) = ( 0.1341463 -0.0774494 0.1095300), wk = 0.0036232 k( 13) = ( 0.1463415 -0.0844903 0.1194873), wk = 0.0036232 k( 14) = ( 0.1585366 -0.0915311 0.1294446), wk = 0.0036232 k( 15) = ( 0.1707317 -0.0985720 0.1394019), wk = 0.0036232 k( 16) = ( 0.1829268 -0.1056129 0.1493591), wk = 0.0036232 k( 17) = ( 0.1951219 -0.1126537 0.1593164), wk = 0.0036232 k( 18) = ( 0.2073171 -0.1196946 0.1692737), wk = 0.0036232 k( 19) = ( 0.2195122 -0.1267354 0.1792310), wk = 0.0036232 k( 20) = ( 0.2317073 -0.1337763 0.1891882), wk = 0.0036232 k( 21) = ( 0.2439024 -0.1408171 0.1991455), wk = 0.0036232 k( 22) = ( 0.2560976 -0.1478580 0.2091028), wk = 0.0036232 k( 23) = ( 0.2682927 -0.1548989 0.2190601), wk = 0.0036232 k( 24) = ( 0.2804878 -0.1619397 0.2290173), wk = 0.0036232 k( 25) = ( 0.2926829 -0.1689806 0.2389746), wk = 0.0036232 k( 26) = ( 0.3048781 -0.1760214 0.2489319), wk = 0.0036232 k( 27) = ( 0.3170732 -0.1830623 0.2588892), wk = 0.0036232 k( 28) = ( 0.3292683 -0.1901031 0.2688464), wk = 0.0036232 k( 29) = ( 0.3414634 -0.1971440 0.2788037), wk = 0.0036232 k( 30) = ( 0.3536585 -0.2041849 0.2887610), wk = 0.0036232 k( 31) = ( 0.3658537 -0.2112257 0.2987183), wk = 0.0036232 k( 32) = ( 0.3780488 -0.2182666 0.3086755), wk = 0.0036232 k( 33) = ( 0.3902439 -0.2253074 0.3186328), wk = 0.0036232 k( 34) = ( 0.4024390 -0.2323483 0.3285901), wk = 0.0036232 k( 35) = ( 0.4146341 -0.2393891 0.3385474), wk = 0.0036232 k( 36) = ( 0.4268293 -0.2464300 0.3485046), wk = 0.0036232 k( 37) = ( 0.4390244 -0.2534708 0.3584619), wk = 0.0036232 k( 38) = ( 0.4512195 -0.2605117 0.3684192), wk = 0.0036232 k( 39) = ( 0.4634146 -0.2675526 0.3783765), wk = 0.0036232 k( 40) = ( 0.4756098 -0.2745934 0.3883337), wk = 0.0036232 k( 41) = ( 0.4878049 -0.2816343 0.3982910), wk = 0.0036232 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036232 k( 43) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036232 k( 44) = ( 0.5000000 -0.2749287 0.4179685), wk = 0.0036232 k( 45) = ( 0.5000000 -0.2611823 0.4276887), wk = 0.0036232 k( 46) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0036232 k( 47) = ( 0.5000000 -0.2336894 0.4471291), wk = 0.0036232 k( 48) = ( 0.5000000 -0.2199430 0.4568493), wk = 0.0036232 k( 49) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0036232 k( 50) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0036232 k( 51) = ( 0.5000000 -0.1787036 0.4860099), wk = 0.0036232 k( 52) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0036232 k( 53) = ( 0.5000000 -0.1512108 0.5054503), wk = 0.0036232 k( 54) = ( 0.5000000 -0.1374644 0.5151705), wk = 0.0036232 k( 55) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0036232 k( 56) = ( 0.5000000 -0.1099715 0.5346109), wk = 0.0036232 k( 57) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0036232 k( 58) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0036232 k( 59) = ( 0.5000000 -0.0687322 0.5637714), wk = 0.0036232 k( 60) = ( 0.5000000 -0.0549857 0.5734916), wk = 0.0036232 k( 61) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0036232 k( 62) = ( 0.5000000 -0.0274929 0.5929320), wk = 0.0036232 k( 63) = ( 0.5000000 -0.0137464 0.6026522), wk = 0.0036232 k( 64) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0036232 k( 65) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0036232 k( 66) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0036232 k( 67) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0036232 k( 68) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0036232 k( 69) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0036232 k( 70) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0036232 k( 71) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0036232 k( 72) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0036232 k( 73) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0036232 k( 74) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0036232 k( 75) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0036232 k( 76) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0036232 k( 77) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0036232 k( 78) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0036232 k( 79) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0036232 k( 80) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036232 k( 81) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036232 k( 82) = ( 0.3664773 0.2115858 0.5984549), wk = 0.0036232 k( 83) = ( 0.3579545 0.2066652 0.5845373), wk = 0.0036232 k( 84) = ( 0.3494318 0.2017446 0.5706198), wk = 0.0036232 k( 85) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0036232 k( 86) = ( 0.3323864 0.1919034 0.5427847), wk = 0.0036232 k( 87) = ( 0.3238636 0.1869828 0.5288671), wk = 0.0036232 k( 88) = ( 0.3153409 0.1820622 0.5149495), wk = 0.0036232 k( 89) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0036232 k( 90) = ( 0.2982955 0.1722210 0.4871144), wk = 0.0036232 k( 91) = ( 0.2897727 0.1673004 0.4731969), wk = 0.0036232 k( 92) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0036232 k( 93) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0036232 k( 94) = ( 0.2642045 0.1525386 0.4314442), wk = 0.0036232 k( 95) = ( 0.2556818 0.1476180 0.4175267), wk = 0.0036232 k( 96) = ( 0.2471591 0.1426974 0.4036091), wk = 0.0036232 k( 97) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0036232 k( 98) = ( 0.2301136 0.1328562 0.3757740), wk = 0.0036232 k( 99) = ( 0.2215909 0.1279356 0.3618564), wk = 0.0036232 k( 100) = ( 0.2130682 0.1230150 0.3479389), wk = 0.0036232 k( 101) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0036232 k( 102) = ( 0.1960227 0.1131738 0.3201038), wk = 0.0036232 k( 103) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0036232 k( 104) = ( 0.1789773 0.1033326 0.2922687), wk = 0.0036232 k( 105) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0036232 k( 106) = ( 0.1619318 0.0934914 0.2644336), wk = 0.0036232 k( 107) = ( 0.1534091 0.0885708 0.2505160), wk = 0.0036232 k( 108) = ( 0.1448864 0.0836502 0.2365984), wk = 0.0036232 k( 109) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0036232 k( 110) = ( 0.1278409 0.0738090 0.2087633), wk = 0.0036232 k( 111) = ( 0.1193182 0.0688884 0.1948458), wk = 0.0036232 k( 112) = ( 0.1107955 0.0639678 0.1809282), wk = 0.0036232 k( 113) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0036232 k( 114) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0036232 k( 115) = ( 0.0852273 0.0492060 0.1391756), wk = 0.0036232 k( 116) = ( 0.0767045 0.0442854 0.1252580), wk = 0.0036232 k( 117) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0036232 k( 118) = ( 0.0596591 0.0344442 0.0974229), wk = 0.0036232 k( 119) = ( 0.0511364 0.0295236 0.0835053), wk = 0.0036232 k( 120) = ( 0.0426136 0.0246030 0.0695878), wk = 0.0036232 k( 121) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0036232 k( 122) = ( 0.0255682 0.0147618 0.0417527), wk = 0.0036232 k( 123) = ( 0.0170455 0.0098412 0.0278351), wk = 0.0036232 k( 124) = ( 0.0085227 0.0049206 0.0139175), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0138889 0.0080188 0.0056701), wk = 0.0036232 k( 128) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0036232 k( 129) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0036232 k( 130) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0036232 k( 131) = ( 0.0694444 0.0400938 0.0283506), wk = 0.0036232 k( 132) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0036232 k( 133) = ( 0.0972222 0.0561313 0.0396908), wk = 0.0036232 k( 134) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0036232 k( 135) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0036232 k( 136) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0036232 k( 137) = ( 0.1527778 0.0882063 0.0623713), wk = 0.0036232 k( 138) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0036232 k( 139) = ( 0.1805556 0.1042438 0.0737115), wk = 0.0036232 k( 140) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0036232 k( 141) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0036232 k( 142) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0036232 k( 143) = ( 0.2361111 0.1363188 0.0963920), wk = 0.0036232 k( 144) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0036232 k( 145) = ( 0.2638889 0.1523563 0.1077322), wk = 0.0036232 k( 146) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0036232 k( 147) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0036232 k( 148) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0036232 k( 149) = ( 0.3194444 0.1844313 0.1304126), wk = 0.0036232 k( 150) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0036232 k( 151) = ( 0.3472222 0.2004688 0.1417529), wk = 0.0036232 k( 152) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0036232 k( 153) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0036232 k( 154) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0036232 k( 155) = ( 0.4027778 0.2325439 0.1644333), wk = 0.0036232 k( 156) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0036232 k( 157) = ( 0.4305556 0.2485814 0.1757736), wk = 0.0036232 k( 158) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0036232 k( 159) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0036232 k( 160) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0036232 k( 161) = ( 0.4861111 0.2806564 0.1984540), wk = 0.0036232 k( 162) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036232 k( 163) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036232 k( 164) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0036232 k( 165) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0036232 k( 166) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0036232 k( 167) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0036232 k( 168) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0036232 k( 169) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0036232 k( 170) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0036232 k( 171) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0036232 k( 172) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0036232 k( 173) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0036232 k( 174) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0036232 k( 175) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0036232 k( 176) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0036232 k( 177) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0036232 k( 178) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0036232 k( 179) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0036232 k( 180) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0036232 k( 181) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0036232 k( 182) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0036232 k( 183) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0036232 k( 184) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0036232 k( 185) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0036232 k( 186) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0036232 k( 187) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0036232 k( 188) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036232 k( 189) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036232 k( 190) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0036232 k( 191) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0036232 k( 192) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0036232 k( 193) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0036232 k( 194) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0036232 k( 195) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0036232 k( 196) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0036232 k( 197) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0036232 k( 198) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0036232 k( 199) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0036232 k( 200) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0036232 k( 201) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0036232 k( 202) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0036232 k( 203) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0036232 k( 204) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0036232 k( 205) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0036232 k( 206) = ( 0.5000000 0.0099543 0.5982949), wk = 0.0036232 k( 207) = ( 0.5000000 0.0199086 0.5842174), wk = 0.0036232 k( 208) = ( 0.5000000 0.0298629 0.5701399), wk = 0.0036232 k( 209) = ( 0.5000000 0.0398173 0.5560623), wk = 0.0036232 k( 210) = ( 0.5000000 0.0497716 0.5419848), wk = 0.0036232 k( 211) = ( 0.5000000 0.0597259 0.5279073), wk = 0.0036232 k( 212) = ( 0.5000000 0.0696802 0.5138297), wk = 0.0036232 k( 213) = ( 0.5000000 0.0796345 0.4997522), wk = 0.0036232 k( 214) = ( 0.5000000 0.0895888 0.4856747), wk = 0.0036232 k( 215) = ( 0.5000000 0.0995432 0.4715972), wk = 0.0036232 k( 216) = ( 0.5000000 0.1094975 0.4575196), wk = 0.0036232 k( 217) = ( 0.5000000 0.1194518 0.4434421), wk = 0.0036232 k( 218) = ( 0.5000000 0.1294061 0.4293646), wk = 0.0036232 k( 219) = ( 0.5000000 0.1393604 0.4152870), wk = 0.0036232 k( 220) = ( 0.5000000 0.1493147 0.4012095), wk = 0.0036232 k( 221) = ( 0.5000000 0.1592690 0.3871320), wk = 0.0036232 k( 222) = ( 0.5000000 0.1692233 0.3730545), wk = 0.0036232 k( 223) = ( 0.5000000 0.1791777 0.3589770), wk = 0.0036232 k( 224) = ( 0.5000000 0.1891320 0.3448994), wk = 0.0036232 k( 225) = ( 0.5000000 0.1990863 0.3308219), wk = 0.0036232 k( 226) = ( 0.5000000 0.2090406 0.3167444), wk = 0.0036232 k( 227) = ( 0.5000000 0.2189949 0.3026668), wk = 0.0036232 k( 228) = ( 0.5000000 0.2289492 0.2885893), wk = 0.0036232 k( 229) = ( 0.5000000 0.2389036 0.2745118), wk = 0.0036232 k( 230) = ( 0.5000000 0.2488579 0.2604343), wk = 0.0036232 k( 231) = ( 0.5000000 0.2588122 0.2463567), wk = 0.0036232 k( 232) = ( 0.5000000 0.2687665 0.2322792), wk = 0.0036232 k( 233) = ( 0.5000000 0.2787208 0.2182017), wk = 0.0036232 k( 234) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036232 k( 235) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036232 k( 236) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0036232 k( 237) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0036232 k( 238) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0036232 k( 239) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0036232 k( 240) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0036232 k( 241) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0036232 k( 242) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0036232 k( 243) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0036232 k( 244) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0036232 k( 245) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0036232 k( 246) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0036232 k( 247) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0036232 k( 248) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0036232 k( 249) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0036232 k( 250) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0036232 k( 251) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0036232 k( 252) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0036232 k( 253) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0036232 k( 254) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0036232 k( 255) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0036232 k( 256) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0036232 k( 257) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0036232 k( 258) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0036232 k( 259) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0036232 k( 260) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036232 k( 261) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036232 k( 262) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0036232 k( 263) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0036232 k( 264) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0036232 k( 265) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0036232 k( 266) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0036232 k( 267) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0036232 k( 268) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0036232 k( 269) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0036232 k( 270) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0036232 k( 271) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0036232 k( 272) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0036232 k( 273) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0036232 k( 274) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0036232 k( 275) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0036232 k( 276) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0121951 0.0000000 0.0121951), wk = 0.0036232 k( 3) = ( 0.0243902 0.0000000 0.0243902), wk = 0.0036232 k( 4) = ( 0.0365854 0.0000000 0.0365854), wk = 0.0036232 k( 5) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0036232 k( 6) = ( 0.0609756 0.0000000 0.0609756), wk = 0.0036232 k( 7) = ( 0.0731707 0.0000000 0.0731707), wk = 0.0036232 k( 8) = ( 0.0853658 0.0000000 0.0853658), wk = 0.0036232 k( 9) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0036232 k( 10) = ( 0.1097561 0.0000000 0.1097561), wk = 0.0036232 k( 11) = ( 0.1219512 0.0000000 0.1219512), wk = 0.0036232 k( 12) = ( 0.1341463 0.0000000 0.1341463), wk = 0.0036232 k( 13) = ( 0.1463415 0.0000000 0.1463415), wk = 0.0036232 k( 14) = ( 0.1585366 0.0000000 0.1585366), wk = 0.0036232 k( 15) = ( 0.1707317 0.0000000 0.1707317), wk = 0.0036232 k( 16) = ( 0.1829268 0.0000000 0.1829268), wk = 0.0036232 k( 17) = ( 0.1951219 0.0000000 0.1951219), wk = 0.0036232 k( 18) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0036232 k( 19) = ( 0.2195122 0.0000000 0.2195122), wk = 0.0036232 k( 20) = ( 0.2317073 0.0000000 0.2317073), wk = 0.0036232 k( 21) = ( 0.2439024 0.0000000 0.2439024), wk = 0.0036232 k( 22) = ( 0.2560976 0.0000000 0.2560976), wk = 0.0036232 k( 23) = ( 0.2682927 0.0000000 0.2682927), wk = 0.0036232 k( 24) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0036232 k( 25) = ( 0.2926829 0.0000000 0.2926829), wk = 0.0036232 k( 26) = ( 0.3048781 0.0000000 0.3048780), wk = 0.0036232 k( 27) = ( 0.3170732 0.0000000 0.3170732), wk = 0.0036232 k( 28) = ( 0.3292683 0.0000000 0.3292683), wk = 0.0036232 k( 29) = ( 0.3414634 0.0000000 0.3414634), wk = 0.0036232 k( 30) = ( 0.3536585 0.0000000 0.3536585), wk = 0.0036232 k( 31) = ( 0.3658537 0.0000000 0.3658537), wk = 0.0036232 k( 32) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0036232 k( 33) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0036232 k( 34) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0036232 k( 35) = ( 0.4146341 0.0000000 0.4146341), wk = 0.0036232 k( 36) = ( 0.4268293 0.0000000 0.4268293), wk = 0.0036232 k( 37) = ( 0.4390244 0.0000000 0.4390244), wk = 0.0036232 k( 38) = ( 0.4512195 0.0000000 0.4512195), wk = 0.0036232 k( 39) = ( 0.4634146 0.0000000 0.4634146), wk = 0.0036232 k( 40) = ( 0.4756098 0.0000000 0.4756098), wk = 0.0036232 k( 41) = ( 0.4878049 0.0000000 0.4878049), wk = 0.0036232 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 43) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 k( 44) = ( 0.5000000 0.0119048 0.5119048), wk = 0.0036232 k( 45) = ( 0.5000000 0.0238095 0.5238095), wk = 0.0036232 k( 46) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0036232 k( 47) = ( 0.5000000 0.0476191 0.5476190), wk = 0.0036232 k( 48) = ( 0.5000000 0.0595238 0.5595238), wk = 0.0036232 k( 49) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0036232 k( 50) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0036232 k( 51) = ( 0.5000000 0.0952381 0.5952381), wk = 0.0036232 k( 52) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0036232 k( 53) = ( 0.5000000 0.1190476 0.6190476), wk = 0.0036232 k( 54) = ( 0.5000000 0.1309524 0.6309524), wk = 0.0036232 k( 55) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0036232 k( 56) = ( 0.5000000 0.1547619 0.6547619), wk = 0.0036232 k( 57) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0036232 k( 58) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0036232 k( 59) = ( 0.5000000 0.1904762 0.6904762), wk = 0.0036232 k( 60) = ( 0.5000000 0.2023810 0.7023809), wk = 0.0036232 k( 61) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0036232 k( 62) = ( 0.5000000 0.2261905 0.7261905), wk = 0.0036232 k( 63) = ( 0.5000000 0.2380952 0.7380952), wk = 0.0036232 k( 64) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036232 k( 65) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036232 k( 66) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0036232 k( 67) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0036232 k( 68) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0036232 k( 69) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0036232 k( 70) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0036232 k( 71) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0036232 k( 72) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0036232 k( 73) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0036232 k( 74) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0036232 k( 75) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0036232 k( 76) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0036232 k( 77) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0036232 k( 78) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0036232 k( 79) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0036232 k( 80) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036232 k( 81) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036232 k( 82) = ( 0.3664773 0.3664773 0.7329545), wk = 0.0036232 k( 83) = ( 0.3579545 0.3579545 0.7159091), wk = 0.0036232 k( 84) = ( 0.3494318 0.3494318 0.6988636), wk = 0.0036232 k( 85) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0036232 k( 86) = ( 0.3323864 0.3323864 0.6647727), wk = 0.0036232 k( 87) = ( 0.3238636 0.3238636 0.6477273), wk = 0.0036232 k( 88) = ( 0.3153409 0.3153409 0.6306818), wk = 0.0036232 k( 89) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0036232 k( 90) = ( 0.2982955 0.2982955 0.5965909), wk = 0.0036232 k( 91) = ( 0.2897727 0.2897727 0.5795455), wk = 0.0036232 k( 92) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0036232 k( 93) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0036232 k( 94) = ( 0.2642045 0.2642045 0.5284091), wk = 0.0036232 k( 95) = ( 0.2556818 0.2556818 0.5113636), wk = 0.0036232 k( 96) = ( 0.2471591 0.2471591 0.4943182), wk = 0.0036232 k( 97) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0036232 k( 98) = ( 0.2301136 0.2301136 0.4602273), wk = 0.0036232 k( 99) = ( 0.2215909 0.2215909 0.4431818), wk = 0.0036232 k( 100) = ( 0.2130682 0.2130682 0.4261364), wk = 0.0036232 k( 101) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0036232 k( 102) = ( 0.1960227 0.1960227 0.3920455), wk = 0.0036232 k( 103) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0036232 k( 104) = ( 0.1789773 0.1789773 0.3579545), wk = 0.0036232 k( 105) = ( 0.1704546 0.1704545 0.3409091), wk = 0.0036232 k( 106) = ( 0.1619318 0.1619318 0.3238636), wk = 0.0036232 k( 107) = ( 0.1534091 0.1534091 0.3068182), wk = 0.0036232 k( 108) = ( 0.1448864 0.1448864 0.2897727), wk = 0.0036232 k( 109) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0036232 k( 110) = ( 0.1278409 0.1278409 0.2556818), wk = 0.0036232 k( 111) = ( 0.1193182 0.1193182 0.2386364), wk = 0.0036232 k( 112) = ( 0.1107955 0.1107955 0.2215909), wk = 0.0036232 k( 113) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0036232 k( 114) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0036232 k( 115) = ( 0.0852273 0.0852273 0.1704546), wk = 0.0036232 k( 116) = ( 0.0767045 0.0767045 0.1534091), wk = 0.0036232 k( 117) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0036232 k( 118) = ( 0.0596591 0.0596591 0.1193182), wk = 0.0036232 k( 119) = ( 0.0511364 0.0511364 0.1022727), wk = 0.0036232 k( 120) = ( 0.0426136 0.0426136 0.0852273), wk = 0.0036232 k( 121) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0036232 k( 122) = ( 0.0255682 0.0255682 0.0511364), wk = 0.0036232 k( 123) = ( 0.0170455 0.0170455 0.0340909), wk = 0.0036232 k( 124) = ( 0.0085227 0.0085227 0.0170455), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 127) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0036232 k( 128) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0036232 k( 129) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0036232 k( 130) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0036232 k( 131) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0036232 k( 132) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0036232 k( 133) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0036232 k( 134) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0036232 k( 135) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036232 k( 136) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0036232 k( 137) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0036232 k( 138) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036232 k( 139) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0036232 k( 140) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0036232 k( 141) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0036232 k( 142) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0036232 k( 143) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0036232 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 k( 145) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0036232 k( 146) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0036232 k( 147) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0036232 k( 148) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0036232 k( 149) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0036232 k( 150) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036232 k( 151) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0036232 k( 152) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0036232 k( 153) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0036232 k( 154) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0036232 k( 155) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0036232 k( 156) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0036232 k( 157) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0036232 k( 158) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0036232 k( 159) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0036232 k( 160) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0036232 k( 161) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0036232 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 164) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0036232 k( 165) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0036232 k( 166) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0036232 k( 167) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0036232 k( 168) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0036232 k( 169) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0036232 k( 170) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0036232 k( 171) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0036232 k( 172) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0036232 k( 173) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0036232 k( 174) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0036232 k( 175) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0036232 k( 176) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0036232 k( 177) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0036232 k( 178) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0036232 k( 179) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0036232 k( 180) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0036232 k( 181) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0036232 k( 182) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0036232 k( 183) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0036232 k( 184) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0036232 k( 185) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0036232 k( 186) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0036232 k( 187) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0036232 k( 188) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036232 k( 189) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036232 k( 190) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0036232 k( 191) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0036232 k( 192) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0036232 k( 193) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0036232 k( 194) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0036232 k( 195) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0036232 k( 196) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0036232 k( 197) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0036232 k( 198) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0036232 k( 199) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0036232 k( 200) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0036232 k( 201) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0036232 k( 202) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0036232 k( 203) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0036232 k( 204) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036232 k( 205) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036232 k( 206) = ( 0.5000000 0.2586207 0.7413793), wk = 0.0036232 k( 207) = ( 0.5000000 0.2672414 0.7327586), wk = 0.0036232 k( 208) = ( 0.5000000 0.2758621 0.7241379), wk = 0.0036232 k( 209) = ( 0.5000000 0.2844828 0.7155172), wk = 0.0036232 k( 210) = ( 0.5000000 0.2931034 0.7068965), wk = 0.0036232 k( 211) = ( 0.5000000 0.3017241 0.6982759), wk = 0.0036232 k( 212) = ( 0.5000000 0.3103448 0.6896552), wk = 0.0036232 k( 213) = ( 0.5000000 0.3189655 0.6810345), wk = 0.0036232 k( 214) = ( 0.5000000 0.3275862 0.6724138), wk = 0.0036232 k( 215) = ( 0.5000000 0.3362069 0.6637931), wk = 0.0036232 k( 216) = ( 0.5000000 0.3448276 0.6551724), wk = 0.0036232 k( 217) = ( 0.5000000 0.3534483 0.6465517), wk = 0.0036232 k( 218) = ( 0.5000000 0.3620690 0.6379310), wk = 0.0036232 k( 219) = ( 0.5000000 0.3706897 0.6293103), wk = 0.0036232 k( 220) = ( 0.5000000 0.3793103 0.6206897), wk = 0.0036232 k( 221) = ( 0.5000000 0.3879310 0.6120690), wk = 0.0036232 k( 222) = ( 0.5000000 0.3965517 0.6034483), wk = 0.0036232 k( 223) = ( 0.5000000 0.4051724 0.5948276), wk = 0.0036232 k( 224) = ( 0.5000000 0.4137931 0.5862069), wk = 0.0036232 k( 225) = ( 0.5000000 0.4224138 0.5775862), wk = 0.0036232 k( 226) = ( 0.5000000 0.4310345 0.5689655), wk = 0.0036232 k( 227) = ( 0.5000000 0.4396552 0.5603448), wk = 0.0036232 k( 228) = ( 0.5000000 0.4482759 0.5517241), wk = 0.0036232 k( 229) = ( 0.5000000 0.4568966 0.5431035), wk = 0.0036232 k( 230) = ( 0.5000000 0.4655172 0.5344828), wk = 0.0036232 k( 231) = ( 0.5000000 0.4741379 0.5258621), wk = 0.0036232 k( 232) = ( 0.5000000 0.4827586 0.5172414), wk = 0.0036232 k( 233) = ( 0.5000000 0.4913793 0.5086207), wk = 0.0036232 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036232 k( 236) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0036232 k( 237) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0036232 k( 238) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0036232 k( 239) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0036232 k( 240) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0036232 k( 241) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0036232 k( 242) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0036232 k( 243) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0036232 k( 244) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0036232 k( 245) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0036232 k( 246) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0036232 k( 247) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0036232 k( 248) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0036232 k( 249) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0036232 k( 250) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0036232 k( 251) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0036232 k( 252) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0036232 k( 253) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0036232 k( 254) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0036232 k( 255) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0036232 k( 256) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0036232 k( 257) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0036232 k( 258) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0036232 k( 259) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0036232 k( 260) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036232 k( 261) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036232 k( 262) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0036232 k( 263) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0036232 k( 264) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0036232 k( 265) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0036232 k( 266) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0036232 k( 267) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0036232 k( 268) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0036232 k( 269) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0036232 k( 270) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0036232 k( 271) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0036232 k( 272) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0036232 k( 273) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0036232 k( 274) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0036232 k( 275) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0036232 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036232 Dense grid: 77233 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 58071 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 418, 40) NL pseudopotentials 0.31 Mb ( 209, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2148) G-vector shells 0.00 Mb ( 527) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 418, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./KNa2Sb.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.4 secs Computing kpt #: 29 total cpu time spent up to now is 16.9 secs Computing kpt #: 30 total cpu time spent up to now is 17.5 secs Computing kpt #: 31 total cpu time spent up to now is 18.0 secs Computing kpt #: 32 total cpu time spent up to now is 18.6 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.7 secs Computing kpt #: 40 total cpu time spent up to now is 23.3 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 25.0 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.2 secs Computing kpt #: 46 total cpu time spent up to now is 26.7 secs Computing kpt #: 47 total cpu time spent up to now is 27.3 secs Computing kpt #: 48 total cpu time spent up to now is 27.9 secs Computing kpt #: 49 total cpu time spent up to now is 28.4 secs Computing kpt #: 50 total cpu time spent up to now is 28.9 secs Computing kpt #: 51 total cpu time spent up to now is 29.5 secs Computing kpt #: 52 total cpu time spent up to now is 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.8 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.7 secs Computing kpt #: 57 total cpu time spent up to now is 32.2 secs Computing kpt #: 58 total cpu time spent up to now is 32.6 secs Computing kpt #: 59 total cpu time spent up to now is 33.1 secs Computing kpt #: 60 total cpu time spent up to now is 33.5 secs Computing kpt #: 61 total cpu time spent up to now is 33.9 secs Computing kpt #: 62 total cpu time spent up to now is 34.3 secs Computing kpt #: 63 total cpu time spent up to now is 34.8 secs Computing kpt #: 64 total cpu time spent up to now is 35.2 secs Computing kpt #: 65 total cpu time spent up to now is 35.6 secs Computing kpt #: 66 total cpu time spent up to now is 36.0 secs Computing kpt #: 67 total cpu time spent up to now is 36.4 secs Computing kpt #: 68 total cpu time spent up to now is 36.9 secs Computing kpt #: 69 total cpu time spent up to now is 37.3 secs Computing kpt #: 70 total cpu time spent up to now is 37.7 secs Computing kpt #: 71 total cpu time spent up to now is 38.2 secs Computing kpt #: 72 total cpu time spent up to now is 38.6 secs Computing kpt #: 73 total cpu time spent up to now is 39.1 secs Computing kpt #: 74 total cpu time spent up to now is 39.5 secs Computing kpt #: 75 total cpu time spent up to now is 40.0 secs Computing kpt #: 76 total cpu time spent up to now is 40.4 secs Computing kpt #: 77 total cpu time spent up to now is 40.9 secs Computing kpt #: 78 total cpu time spent up to now is 41.4 secs Computing kpt #: 79 total cpu time spent up to now is 41.8 secs Computing kpt #: 80 total cpu time spent up to now is 42.3 secs Computing kpt #: 81 total cpu time spent up to now is 42.8 secs Computing kpt #: 82 total cpu time spent up to now is 43.2 secs Computing kpt #: 83 total cpu time spent up to now is 43.7 secs Computing kpt #: 84 total cpu time spent up to now is 44.2 secs Computing kpt #: 85 total cpu time spent up to now is 44.6 secs Computing kpt #: 86 total cpu time spent up to now is 45.0 secs Computing kpt #: 87 total cpu time spent up to now is 45.5 secs Computing kpt #: 88 total cpu time spent up to now is 46.0 secs Computing kpt #: 89 total cpu time spent up to now is 46.5 secs Computing kpt #: 90 total cpu time spent up to now is 47.0 secs Computing kpt #: 91 total cpu time spent up to now is 47.5 secs Computing kpt #: 92 total cpu time spent up to now is 48.1 secs Computing kpt #: 93 total cpu time spent up to now is 48.5 secs Computing kpt #: 94 total cpu time spent up to now is 49.0 secs Computing kpt #: 95 total cpu time spent up to now is 49.5 secs Computing kpt #: 96 total cpu time spent up to now is 49.9 secs Computing kpt #: 97 total cpu time spent up to now is 50.4 secs Computing kpt #: 98 total cpu time spent up to now is 50.9 secs Computing kpt #: 99 total cpu time spent up to now is 51.3 secs Computing kpt #: 100 total cpu time spent up to now is 51.8 secs Computing kpt #: 101 total cpu time spent up to now is 52.3 secs Computing kpt #: 102 total cpu time spent up to now is 52.7 secs Computing kpt #: 103 total cpu time spent up to now is 53.2 secs Computing kpt #: 104 total cpu time spent up to now is 53.7 secs Computing kpt #: 105 total cpu time spent up to now is 54.1 secs Computing kpt #: 106 total cpu time spent up to now is 54.6 secs Computing kpt #: 107 total cpu time spent up to now is 55.0 secs Computing kpt #: 108 total cpu time spent up to now is 55.5 secs Computing kpt #: 109 total cpu time spent up to now is 55.9 secs Computing kpt #: 110 total cpu time spent up to now is 56.4 secs Computing kpt #: 111 total cpu time spent up to now is 56.9 secs Computing kpt #: 112 total cpu time spent up to now is 57.3 secs Computing kpt #: 113 total cpu time spent up to now is 57.8 secs Computing kpt #: 114 total cpu time spent up to now is 58.2 secs Computing kpt #: 115 total cpu time spent up to now is 58.7 secs Computing kpt #: 116 total cpu time spent up to now is 59.3 secs Computing kpt #: 117 total cpu time spent up to now is 59.7 secs Computing kpt #: 118 total cpu time spent up to now is 60.2 secs Computing kpt #: 119 total cpu time spent up to now is 60.6 secs Computing kpt #: 120 total cpu time spent up to now is 61.0 secs Computing kpt #: 121 total cpu time spent up to now is 61.5 secs Computing kpt #: 122 total cpu time spent up to now is 61.9 secs Computing kpt #: 123 total cpu time spent up to now is 62.3 secs Computing kpt #: 124 total cpu time spent up to now is 62.7 secs Computing kpt #: 125 total cpu time spent up to now is 63.2 secs Computing kpt #: 126 total cpu time spent up to now is 63.6 secs Computing kpt #: 127 total cpu time spent up to now is 64.0 secs Computing kpt #: 128 total cpu time spent up to now is 64.5 secs Computing kpt #: 129 total cpu time spent up to now is 64.9 secs Computing kpt #: 130 total cpu time spent up to now is 65.3 secs Computing kpt #: 131 total cpu time spent up to now is 65.8 secs Computing kpt #: 132 total cpu time spent up to now is 66.2 secs Computing kpt #: 133 total cpu time spent up to now is 66.6 secs Computing kpt #: 134 total cpu time spent up to now is 67.1 secs Computing kpt #: 135 total cpu time spent up to now is 67.5 secs Computing kpt #: 136 total cpu time spent up to now is 68.0 secs Computing kpt #: 137 total cpu time spent up to now is 68.4 secs Computing kpt #: 138 total cpu time spent up to now is 68.8 secs Computing kpt #: 139 total cpu time spent up to now is 69.3 secs Computing kpt #: 140 total cpu time spent up to now is 69.7 secs Computing kpt #: 141 total cpu time spent up to now is 70.2 secs Computing kpt #: 142 total cpu time spent up to now is 70.6 secs Computing kpt #: 143 total cpu time spent up to now is 71.1 secs Computing kpt #: 144 total cpu time spent up to now is 71.6 secs Computing kpt #: 145 total cpu time spent up to now is 72.0 secs Computing kpt #: 146 total cpu time spent up to now is 72.5 secs Computing kpt #: 147 total cpu time spent up to now is 73.0 secs Computing kpt #: 148 total cpu time spent up to now is 73.4 secs Computing kpt #: 149 total cpu time spent up to now is 73.9 secs Computing kpt #: 150 total cpu time spent up to now is 74.4 secs Computing kpt #: 151 total cpu time spent up to now is 74.9 secs Computing kpt #: 152 total cpu time spent up to now is 75.3 secs Computing kpt #: 153 total cpu time spent up to now is 75.9 secs Computing kpt #: 154 total cpu time spent up to now is 76.3 secs Computing kpt #: 155 total cpu time spent up to now is 76.9 secs Computing kpt #: 156 total cpu time spent up to now is 77.4 secs Computing kpt #: 157 total cpu time spent up to now is 78.0 secs Computing kpt #: 158 total cpu time spent up to now is 78.5 secs Computing kpt #: 159 total cpu time spent up to now is 79.0 secs Computing kpt #: 160 total cpu time spent up to now is 79.5 secs Computing kpt #: 161 total cpu time spent up to now is 80.0 secs Computing kpt #: 162 total cpu time spent up to now is 80.5 secs Computing kpt #: 163 total cpu time spent up to now is 81.0 secs Computing kpt #: 164 total cpu time spent up to now is 81.5 secs Computing kpt #: 165 total cpu time spent up to now is 82.0 secs Computing kpt #: 166 total cpu time spent up to now is 82.7 secs Computing kpt #: 167 total cpu time spent up to now is 83.2 secs Computing kpt #: 168 total cpu time spent up to now is 83.8 secs Computing kpt #: 169 total cpu time spent up to now is 84.3 secs Computing kpt #: 170 total cpu time spent up to now is 84.9 secs Computing kpt #: 171 total cpu time spent up to now is 85.3 secs Computing kpt #: 172 total cpu time spent up to now is 85.8 secs Computing kpt #: 173 total cpu time spent up to now is 86.3 secs Computing kpt #: 174 total cpu time spent up to now is 86.7 secs Computing kpt #: 175 total cpu time spent up to now is 87.2 secs Computing kpt #: 176 total cpu time spent up to now is 87.7 secs Computing kpt #: 177 total cpu time spent up to now is 88.2 secs Computing kpt #: 178 total cpu time spent up to now is 88.7 secs Computing kpt #: 179 total cpu time spent up to now is 89.2 secs Computing kpt #: 180 total cpu time spent up to now is 89.8 secs Computing kpt #: 181 total cpu time spent up to now is 90.3 secs Computing kpt #: 182 total cpu time spent up to now is 90.9 secs Computing kpt #: 183 total cpu time spent up to now is 91.4 secs Computing kpt #: 184 total cpu time spent up to now is 91.9 secs Computing kpt #: 185 total cpu time spent up to now is 92.5 secs Computing kpt #: 186 total cpu time spent up to now is 93.0 secs Computing kpt #: 187 total cpu time spent up to now is 93.4 secs Computing kpt #: 188 total cpu time spent up to now is 93.9 secs Computing kpt #: 189 total cpu time spent up to now is 94.4 secs Computing kpt #: 190 total cpu time spent up to now is 94.9 secs Computing kpt #: 191 total cpu time spent up to now is 95.4 secs Computing kpt #: 192 total cpu time spent up to now is 95.8 secs Computing kpt #: 193 total cpu time spent up to now is 96.3 secs Computing kpt #: 194 total cpu time spent up to now is 96.7 secs Computing kpt #: 195 total cpu time spent up to now is 97.2 secs Computing kpt #: 196 total cpu time spent up to now is 97.6 secs Computing kpt #: 197 total cpu time spent up to now is 98.1 secs Computing kpt #: 198 total cpu time spent up to now is 98.5 secs Computing kpt #: 199 total cpu time spent up to now is 98.9 secs Computing kpt #: 200 total cpu time spent up to now is 99.4 secs Computing kpt #: 201 total cpu time spent up to now is 99.8 secs Computing kpt #: 202 total cpu time spent up to now is 100.2 secs Computing kpt #: 203 total cpu time spent up to now is 100.6 secs Computing kpt #: 204 total cpu time spent up to now is 101.1 secs Computing kpt #: 205 total cpu time spent up to now is 101.5 secs Computing kpt #: 206 total cpu time spent up to now is 101.9 secs Computing kpt #: 207 total cpu time spent up to now is 102.3 secs Computing kpt #: 208 total cpu time spent up to now is 102.8 secs Computing kpt #: 209 total cpu time spent up to now is 103.2 secs Computing kpt #: 210 total cpu time spent up to now is 103.6 secs Computing kpt #: 211 total cpu time spent up to now is 104.1 secs Computing kpt #: 212 total cpu time spent up to now is 104.5 secs Computing kpt #: 213 total cpu time spent up to now is 104.9 secs Computing kpt #: 214 total cpu time spent up to now is 105.4 secs Computing kpt #: 215 total cpu time spent up to now is 105.8 secs Computing kpt #: 216 total cpu time spent up to now is 106.3 secs Computing kpt #: 217 total cpu time spent up to now is 106.9 secs Computing kpt #: 218 total cpu time spent up to now is 107.6 secs Computing kpt #: 219 total cpu time spent up to now is 108.3 secs Computing kpt #: 220 total cpu time spent up to now is 108.8 secs Computing kpt #: 221 total cpu time spent up to now is 109.3 secs Computing kpt #: 222 total cpu time spent up to now is 109.8 secs Computing kpt #: 223 total cpu time spent up to now is 110.2 secs Computing kpt #: 224 total cpu time spent up to now is 110.8 secs Computing kpt #: 225 total cpu time spent up to now is 111.3 secs Computing kpt #: 226 total cpu time spent up to now is 111.9 secs Computing kpt #: 227 total cpu time spent up to now is 112.4 secs Computing kpt #: 228 total cpu time spent up to now is 113.0 secs Computing kpt #: 229 total cpu time spent up to now is 113.5 secs Computing kpt #: 230 total cpu time spent up to now is 114.1 secs Computing kpt #: 231 total cpu time spent up to now is 114.7 secs Computing kpt #: 232 total cpu time spent up to now is 115.3 secs Computing kpt #: 233 total cpu time spent up to now is 115.8 secs Computing kpt #: 234 total cpu time spent up to now is 116.4 secs Computing kpt #: 235 total cpu time spent up to now is 116.8 secs Computing kpt #: 236 total cpu time spent up to now is 117.4 secs Computing kpt #: 237 total cpu time spent up to now is 117.9 secs Computing kpt #: 238 total cpu time spent up to now is 118.5 secs Computing kpt #: 239 total cpu time spent up to now is 119.0 secs Computing kpt #: 240 total cpu time spent up to now is 119.6 secs Computing kpt #: 241 total cpu time spent up to now is 120.1 secs Computing kpt #: 242 total cpu time spent up to now is 120.6 secs Computing kpt #: 243 total cpu time spent up to now is 121.1 secs Computing kpt #: 244 total cpu time spent up to now is 121.6 secs Computing kpt #: 245 total cpu time spent up to now is 122.1 secs Computing kpt #: 246 total cpu time spent up to now is 122.6 secs Computing kpt #: 247 total cpu time spent up to now is 123.0 secs Computing kpt #: 248 total cpu time spent up to now is 123.5 secs Computing kpt #: 249 total cpu time spent up to now is 124.0 secs Computing kpt #: 250 total cpu time spent up to now is 124.5 secs Computing kpt #: 251 total cpu time spent up to now is 125.0 secs Computing kpt #: 252 total cpu time spent up to now is 125.5 secs Computing kpt #: 253 total cpu time spent up to now is 126.0 secs Computing kpt #: 254 total cpu time spent up to now is 126.5 secs Computing kpt #: 255 total cpu time spent up to now is 127.1 secs Computing kpt #: 256 total cpu time spent up to now is 127.6 secs Computing kpt #: 257 total cpu time spent up to now is 128.2 secs Computing kpt #: 258 total cpu time spent up to now is 128.6 secs Computing kpt #: 259 total cpu time spent up to now is 129.1 secs Computing kpt #: 260 total cpu time spent up to now is 129.6 secs Computing kpt #: 261 total cpu time spent up to now is 130.0 secs Computing kpt #: 262 total cpu time spent up to now is 130.6 secs Computing kpt #: 263 total cpu time spent up to now is 131.1 secs Computing kpt #: 264 total cpu time spent up to now is 131.6 secs Computing kpt #: 265 total cpu time spent up to now is 132.2 secs Computing kpt #: 266 total cpu time spent up to now is 132.7 secs Computing kpt #: 267 total cpu time spent up to now is 133.3 secs Computing kpt #: 268 total cpu time spent up to now is 133.9 secs Computing kpt #: 269 total cpu time spent up to now is 134.4 secs Computing kpt #: 270 total cpu time spent up to now is 135.0 secs Computing kpt #: 271 total cpu time spent up to now is 135.5 secs Computing kpt #: 272 total cpu time spent up to now is 136.1 secs Computing kpt #: 273 total cpu time spent up to now is 136.6 secs Computing kpt #: 274 total cpu time spent up to now is 137.2 secs Computing kpt #: 275 total cpu time spent up to now is 137.8 secs Computing kpt #: 276 total cpu time spent up to now is 138.3 secs ethr = 3.13E-08, avg # of iterations = 20.8 total cpu time spent up to now is 138.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7343 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2665 -20.2665 -20.2562 -20.2562 -20.0884 -20.0884 -20.0884 -20.0884 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8727 -3.8727 3.7087 3.7087 4.2596 4.2596 4.2596 4.2596 4.8381 4.8381 6.8656 6.8656 6.8656 6.8656 6.8658 6.8658 k = 0.0122-0.0070 0.0100 ( 7299 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0883 -20.0883 -20.0882 -20.0882 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8721 -3.8721 3.7039 3.7039 4.2441 4.2441 4.2575 4.2575 4.8572 4.8572 6.8624 6.8624 6.8697 6.8697 6.8702 6.8702 k = 0.0244-0.0141 0.0199 ( 7299 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0882 -20.0882 -20.0882 -20.0882 -20.0779 -20.0779 -20.0778 -20.0778 -10.6499 -10.6499 -10.3860 -10.3860 -10.3859 -10.3859 -3.8702 -3.8702 3.6895 3.6895 4.2034 4.2034 4.2515 4.2515 4.9089 4.9089 6.8529 6.8529 6.8819 6.8819 6.8835 6.8835 k = 0.0366-0.0211 0.0299 ( 7299 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2562 -20.2562 -20.0883 -20.0883 -20.0881 -20.0881 -20.0780 -20.0780 -20.0778 -20.0778 -10.6500 -10.6500 -10.3861 -10.3861 -10.3860 -10.3860 -3.8671 -3.8671 3.6649 3.6649 4.1491 4.1491 4.2416 4.2416 4.9823 4.9823 6.8372 6.8372 6.9021 6.9021 6.9055 6.9055 k = 0.0488-0.0282 0.0398 ( 7295 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0883 -20.0883 -20.0880 -20.0880 -20.0780 -20.0780 -20.0778 -20.0778 -10.6501 -10.6501 -10.3863 -10.3863 -10.3860 -10.3860 -3.8628 -3.8628 3.6297 3.6297 4.0907 4.0907 4.2281 4.2281 5.0683 5.0683 6.8157 6.8157 6.9302 6.9302 6.9360 6.9360 k = 0.0610-0.0352 0.0498 ( 7287 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0883 -20.0883 -20.0879 -20.0879 -20.0781 -20.0781 -20.0777 -20.0777 -10.6502 -10.6502 -10.3866 -10.3866 -10.3861 -10.3861 -3.8572 -3.8572 3.5838 3.5838 4.0338 4.0338 4.2112 4.2112 5.1614 5.1614 6.7889 6.7889 6.9659 6.9659 6.9747 6.9747 k = 0.0732-0.0422 0.0597 ( 7287 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2563 -20.2563 -20.0883 -20.0883 -20.0878 -20.0878 -20.0782 -20.0782 -20.0777 -20.0777 -10.6504 -10.6504 -10.3868 -10.3868 -10.3862 -10.3862 -3.8506 -3.8506 3.5277 3.5277 3.9813 3.9813 4.1914 4.1914 5.2582 5.2582 6.7573 6.7573 7.0089 7.0089 7.0212 7.0212 k = 0.0854-0.0493 0.0697 ( 7271 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2563 -20.2563 -20.0884 -20.0884 -20.0876 -20.0876 -20.0783 -20.0783 -20.0776 -20.0776 -10.6506 -10.6506 -10.3872 -10.3872 -10.3863 -10.3863 -3.8428 -3.8428 3.4632 3.4632 3.9339 3.9339 4.1688 4.1688 5.3564 5.3564 6.7214 6.7214 7.0590 7.0590 7.0751 7.0751 k = 0.0976-0.0563 0.0797 ( 7263 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2564 -20.2564 -20.0884 -20.0884 -20.0875 -20.0875 -20.0784 -20.0784 -20.0775 -20.0775 -10.6508 -10.6508 -10.3875 -10.3875 -10.3864 -10.3864 -3.8340 -3.8340 3.3922 3.3922 3.8910 3.8910 4.1440 4.1440 5.4545 5.4545 6.6818 6.6818 7.1157 7.1157 7.1360 7.1360 k = 0.1098-0.0634 0.0896 ( 7267 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2564 -20.2564 -20.0885 -20.0885 -20.0873 -20.0873 -20.0786 -20.0786 -20.0775 -20.0775 -10.6511 -10.6511 -10.3880 -10.3880 -10.3866 -10.3866 -3.8243 -3.8243 3.3171 3.3171 3.8516 3.8516 4.1173 4.1173 5.5513 5.5513 6.6392 6.6392 7.1788 7.1788 7.2035 7.2035 k = 0.1220-0.0704 0.0996 ( 7263 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2659 -20.2659 -20.2565 -20.2565 -20.0885 -20.0885 -20.0872 -20.0872 -20.0787 -20.0787 -20.0774 -20.0774 -10.6513 -10.6513 -10.3884 -10.3884 -10.3867 -10.3867 -3.8136 -3.8136 3.2398 3.2398 3.8147 3.8147 4.0891 4.0891 5.6458 5.6458 6.5940 6.5940 7.2479 7.2479 7.2771 7.2771 k = 0.1341-0.0774 0.1095 ( 7251 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2658 -20.2658 -20.2565 -20.2565 -20.0886 -20.0886 -20.0869 -20.0869 -20.0789 -20.0789 -20.0774 -20.0774 -10.6516 -10.6516 -10.3889 -10.3889 -10.3869 -10.3869 -3.8021 -3.8021 3.1617 3.1617 3.7796 3.7796 4.0598 4.0598 5.7372 5.7372 6.5468 6.5468 7.3225 7.3225 7.3565 7.3565 k = 0.1463-0.0845 0.1195 ( 7251 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2657 -20.2657 -20.2566 -20.2566 -20.0887 -20.0887 -20.0866 -20.0866 -20.0792 -20.0792 -20.0773 -20.0773 -10.6520 -10.6520 -10.3894 -10.3894 -10.3871 -10.3871 -3.7898 -3.7898 3.0840 3.0840 3.7458 3.7458 4.0296 4.0296 5.8246 5.8246 6.4981 6.4981 7.4024 7.4024 7.4412 7.4412 k = 0.1585-0.0915 0.1294 ( 7259 PWs) bands (ev): -48.2107 -48.2107 -48.2097 -48.2097 -26.9491 -26.9491 -20.2657 -20.2657 -20.2568 -20.2568 -20.0888 -20.0888 -20.0864 -20.0864 -20.0795 -20.0795 -20.0773 -20.0773 -10.6523 -10.6523 -10.3899 -10.3899 -10.3872 -10.3872 -3.7769 -3.7769 3.0076 3.0076 3.7130 3.7130 3.9988 3.9988 5.9073 5.9073 6.4483 6.4483 7.4872 7.4872 7.5308 7.5308 k = 0.1707-0.0986 0.1394 ( 7259 PWs) bands (ev): -48.2107 -48.2107 -48.2097 -48.2097 -26.9491 -26.9491 -20.2656 -20.2656 -20.2569 -20.2569 -20.0888 -20.0888 -20.0861 -20.0861 -20.0798 -20.0798 -20.0772 -20.0772 -10.6526 -10.6526 -10.3905 -10.3905 -10.3874 -10.3874 -3.7634 -3.7634 2.9332 2.9332 3.6810 3.6810 3.9678 3.9678 5.9844 5.9844 6.3979 6.3979 7.5765 7.5765 7.6251 7.6251 k = 0.1829-0.1056 0.1494 ( 7255 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2655 -20.2655 -20.2570 -20.2570 -20.0889 -20.0889 -20.0858 -20.0858 -20.0801 -20.0801 -20.0772 -20.0772 -10.6530 -10.6530 -10.3911 -10.3911 -10.3876 -10.3876 -3.7494 -3.7494 2.8612 2.8612 3.6497 3.6497 3.9367 3.9367 6.0553 6.0553 6.3473 6.3473 7.6699 7.6699 7.7236 7.7236 k = 0.1951-0.1127 0.1593 ( 7271 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2654 -20.2654 -20.2571 -20.2571 -20.0890 -20.0890 -20.0856 -20.0856 -20.0804 -20.0804 -20.0771 -20.0771 -10.6534 -10.6534 -10.3917 -10.3917 -10.3879 -10.3879 -3.7351 -3.7351 2.7921 2.7921 3.6192 3.6192 3.9058 3.9058 6.1191 6.1191 6.2967 6.2967 7.7671 7.7671 7.8260 7.8260 k = 0.2073-0.1197 0.1693 ( 7271 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2653 -20.2653 -20.2573 -20.2573 -20.0891 -20.0891 -20.0853 -20.0853 -20.0807 -20.0807 -20.0771 -20.0771 -10.6537 -10.6537 -10.3922 -10.3922 -10.3881 -10.3881 -3.7204 -3.7204 2.7261 2.7261 3.5894 3.5894 3.8753 3.8753 6.1750 6.1750 6.2465 6.2465 7.8675 7.8675 7.9321 7.9321 k = 0.2195-0.1267 0.1792 ( 7259 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2652 -20.2652 -20.2574 -20.2574 -20.0892 -20.0892 -20.0849 -20.0849 -20.0810 -20.0810 -20.0770 -20.0770 -10.6541 -10.6541 -10.3928 -10.3928 -10.3883 -10.3883 -3.7056 -3.7056 2.6634 2.6634 3.5604 3.5604 3.8453 3.8453 6.1970 6.1970 6.2223 6.2223 7.9704 7.9704 8.0414 8.0414 k = 0.2317-0.1338 0.1892 ( 7275 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2652 -20.2652 -20.2575 -20.2575 -20.0893 -20.0893 -20.0847 -20.0847 -20.0813 -20.0813 -20.0769 -20.0769 -10.6545 -10.6545 -10.3934 -10.3934 -10.3885 -10.3885 -3.6907 -3.6907 2.6042 2.6042 3.5322 3.5322 3.8160 3.8160 6.1483 6.1483 6.2603 6.2603 8.0748 8.0748 8.1538 8.1538 k = 0.2439-0.1408 0.1991 ( 7283 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2651 -20.2651 -20.2577 -20.2577 -20.0894 -20.0894 -20.0843 -20.0843 -20.0817 -20.0817 -20.0769 -20.0769 -10.6549 -10.6549 -10.3940 -10.3940 -10.3888 -10.3888 -3.6758 -3.6758 2.5486 2.5486 3.5049 3.5049 3.7875 3.7875 6.1008 6.1008 6.2886 6.2886 8.1780 8.1780 8.2687 8.2687 k = 0.2561-0.1479 0.2091 ( 7283 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9490 -26.9490 -20.2650 -20.2650 -20.2578 -20.2578 -20.0895 -20.0895 -20.0840 -20.0840 -20.0820 -20.0820 -20.0768 -20.0768 -10.6552 -10.6552 -10.3946 -10.3946 -10.3890 -10.3890 -3.6610 -3.6610 2.4967 2.4967 3.4787 3.4787 3.7600 3.7600 6.0545 6.0545 6.3069 6.3069 8.2715 8.2715 8.3860 8.3860 k = 0.2683-0.1549 0.2191 ( 7267 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2648 -20.2648 -20.2580 -20.2580 -20.0896 -20.0896 -20.0836 -20.0836 -20.0823 -20.0823 -20.0768 -20.0768 -10.6556 -10.6556 -10.3952 -10.3952 -10.3892 -10.3892 -3.6465 -3.6465 2.4486 2.4486 3.4534 3.4534 3.7334 3.7334 6.0097 6.0097 6.3151 6.3151 8.3393 8.3393 8.4668 8.4668 k = 0.2805-0.1619 0.2290 ( 7267 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2647 -20.2647 -20.2581 -20.2581 -20.0896 -20.0896 -20.0833 -20.0833 -20.0826 -20.0826 -20.0767 -20.0767 -10.6560 -10.6560 -10.3957 -10.3957 -10.3894 -10.3894 -3.6322 -3.6322 2.4042 2.4042 3.4293 3.4293 3.7079 3.7079 5.9665 5.9665 6.3137 6.3137 8.3863 8.3863 8.5671 8.5671 k = 0.2927-0.1690 0.2390 ( 7259 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2646 -20.2646 -20.2582 -20.2582 -20.0897 -20.0897 -20.0829 -20.0829 -20.0829 -20.0829 -20.0766 -20.0766 -10.6563 -10.6563 -10.3963 -10.3963 -10.3897 -10.3897 -3.6183 -3.6183 2.3634 2.3634 3.4062 3.4062 3.6835 3.6835 5.9250 5.9250 6.3033 6.3033 8.4304 8.4304 8.6788 8.6788 k = 0.3049-0.1760 0.2489 ( 7251 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2645 -20.2645 -20.2584 -20.2584 -20.0897 -20.0897 -20.0832 -20.0832 -20.0826 -20.0826 -20.0766 -20.0766 -10.6567 -10.6567 -10.3968 -10.3968 -10.3899 -10.3899 -3.6049 -3.6049 2.3264 2.3264 3.3844 3.3844 3.6604 3.6604 5.8854 5.8854 6.2849 6.2849 8.4783 8.4783 8.7369 8.7369 k = 0.3171-0.1831 0.2589 ( 7247 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2644 -20.2644 -20.2585 -20.2585 -20.0898 -20.0898 -20.0835 -20.0835 -20.0823 -20.0823 -20.0765 -20.0765 -10.6570 -10.6570 -10.3973 -10.3973 -10.3901 -10.3901 -3.5919 -3.5919 2.2929 2.2929 3.3637 3.3637 3.6385 3.6385 5.8478 5.8478 6.2596 6.2596 8.5318 8.5318 8.7858 8.7858 k = 0.3293-0.1901 0.2688 ( 7255 PWs) bands (ev): -48.2105 -48.2105 -48.2099 -48.2099 -26.9490 -26.9490 -20.2643 -20.2643 -20.2586 -20.2586 -20.0899 -20.0899 -20.0838 -20.0838 -20.0820 -20.0820 -20.0765 -20.0765 -10.6573 -10.6573 -10.3978 -10.3978 -10.3903 -10.3903 -3.5796 -3.5796 2.2628 2.2628 3.3443 3.3443 3.6179 3.6179 5.8122 5.8122 6.2287 6.2287 8.5915 8.5915 8.8352 8.8352 k = 0.3415-0.1971 0.2788 ( 7239 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9489 -26.9489 -20.2642 -20.2642 -20.2587 -20.2587 -20.0900 -20.0900 -20.0840 -20.0840 -20.0817 -20.0817 -20.0763 -20.0763 -10.6576 -10.6576 -10.3982 -10.3982 -10.3905 -10.3905 -3.5680 -3.5680 2.2360 2.2360 3.3261 3.3261 3.5986 3.5986 5.7787 5.7787 6.1937 6.1937 8.6570 8.6570 8.8846 8.8846 k = 0.3537-0.2042 0.2888 ( 7231 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9489 -26.9489 -20.2641 -20.2641 -20.2588 -20.2588 -20.0900 -20.0900 -20.0843 -20.0843 -20.0814 -20.0814 -20.0763 -20.0763 -10.6579 -10.6579 -10.3986 -10.3986 -10.3907 -10.3907 -3.5570 -3.5570 2.2124 2.2124 3.3093 3.3093 3.5807 3.5807 5.7475 5.7475 6.1558 6.1558 8.7279 8.7279 8.9337 8.9337 k = 0.3659-0.2112 0.2987 ( 7227 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9489 -26.9489 -20.2640 -20.2640 -20.2590 -20.2590 -20.0901 -20.0901 -20.0845 -20.0845 -20.0811 -20.0811 -20.0762 -20.0762 -10.6582 -10.6582 -10.3990 -10.3990 -10.3909 -10.3909 -3.5468 -3.5468 2.1918 2.1918 3.2938 3.2938 3.5641 3.5641 5.7186 5.7186 6.1162 6.1162 8.8037 8.8037 8.9822 8.9822 k = 0.3780-0.2183 0.3087 ( 7227 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9489 -26.9489 -20.2639 -20.2639 -20.2591 -20.2591 -20.0901 -20.0901 -20.0848 -20.0848 -20.0809 -20.0809 -20.0762 -20.0762 -10.6584 -10.6584 -10.3994 -10.3994 -10.3910 -10.3910 -3.5374 -3.5374 2.1739 2.1739 3.2795 3.2795 3.5490 3.5490 5.6919 5.6919 6.0762 6.0762 8.8838 8.8838 9.0296 9.0296 k = 0.3902-0.2253 0.3186 ( 7215 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9489 -26.9489 -20.2639 -20.2639 -20.2591 -20.2591 -20.0902 -20.0902 -20.0849 -20.0849 -20.0806 -20.0806 -20.0761 -20.0761 -10.6587 -10.6587 -10.3997 -10.3997 -10.3912 -10.3912 -3.5288 -3.5288 2.1586 2.1586 3.2667 3.2667 3.5352 3.5352 5.6677 5.6677 6.0368 6.0368 8.9674 8.9674 9.0754 9.0754 k = 0.4024-0.2323 0.3286 ( 7195 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2638 -20.2638 -20.2591 -20.2591 -20.0902 -20.0902 -20.0850 -20.0850 -20.0804 -20.0804 -20.0760 -20.0760 -10.6589 -10.6589 -10.4000 -10.4000 -10.3913 -10.3913 -3.5211 -3.5211 2.1456 2.1456 3.2551 3.2551 3.5229 3.5229 5.6460 5.6460 5.9991 5.9991 9.0538 9.0538 9.1190 9.1190 k = 0.4146-0.2394 0.3385 ( 7199 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2638 -20.2638 -20.2592 -20.2592 -20.0903 -20.0903 -20.0852 -20.0852 -20.0803 -20.0803 -20.0759 -20.0759 -10.6591 -10.6591 -10.4003 -10.4003 -10.3915 -10.3915 -3.5142 -3.5142 2.1349 2.1349 3.2450 3.2450 3.5120 3.5120 5.6266 5.6266 5.9638 5.9638 9.1422 9.1422 9.1599 9.1599 k = 0.4268-0.2464 0.3485 ( 7195 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2637 -20.2637 -20.2593 -20.2593 -20.0903 -20.0903 -20.0853 -20.0853 -20.0801 -20.0801 -20.0759 -20.0759 -10.6592 -10.6592 -10.4005 -10.4005 -10.3916 -10.3916 -3.5082 -3.5082 2.1260 2.1260 3.2361 3.2361 3.5026 3.5026 5.6099 5.6099 5.9317 5.9317 9.1972 9.1972 9.2314 9.2314 k = 0.4390-0.2535 0.3585 ( 7211 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2638 -20.2638 -20.2593 -20.2593 -20.0904 -20.0904 -20.0855 -20.0855 -20.0800 -20.0800 -20.0759 -20.0759 -10.6594 -10.6594 -10.4007 -10.4007 -10.3917 -10.3917 -3.5031 -3.5031 2.1189 2.1189 3.2287 3.2287 3.4946 3.4946 5.5956 5.5956 5.9034 5.9034 9.2305 9.2305 9.3201 9.3201 k = 0.4512-0.2605 0.3684 ( 7195 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2637 -20.2637 -20.2594 -20.2594 -20.0904 -20.0904 -20.0856 -20.0856 -20.0798 -20.0798 -20.0759 -20.0759 -10.6595 -10.6595 -10.4008 -10.4008 -10.3918 -10.3918 -3.4990 -3.4990 2.1134 2.1134 3.2226 3.2226 3.4880 3.4880 5.5839 5.5839 5.8796 5.8796 9.2589 9.2589 9.4060 9.4060 k = 0.4634-0.2676 0.3784 ( 7183 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2636 -20.2636 -20.2594 -20.2594 -20.0904 -20.0904 -20.0856 -20.0856 -20.0797 -20.0797 -20.0758 -20.0758 -10.6596 -10.6596 -10.4010 -10.4010 -10.3918 -10.3918 -3.4957 -3.4957 2.1092 2.1092 3.2178 3.2178 3.4829 3.4829 5.5748 5.5748 5.8606 5.8606 9.2818 9.2818 9.4859 9.4859 k = 0.4756-0.2746 0.3883 ( 7200 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2637 -20.2637 -20.2594 -20.2594 -20.0905 -20.0905 -20.0857 -20.0857 -20.0797 -20.0797 -20.0758 -20.0758 -10.6596 -10.6596 -10.4011 -10.4011 -10.3919 -10.3919 -3.4934 -3.4934 2.1064 2.1064 3.2144 3.2144 3.4793 3.4793 5.5683 5.5683 5.8468 5.8468 9.2986 9.2986 9.5542 9.5542 k = 0.4878-0.2816 0.3983 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0906 -20.0906 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4920 -3.4920 2.1047 2.1047 3.2124 3.2124 3.4771 3.4771 5.5643 5.5643 5.8384 5.8384 9.3089 9.3089 9.6024 9.6024 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0906 -20.0906 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4916 -3.4916 2.1041 2.1041 3.2117 3.2117 3.4764 3.4764 5.5630 5.5630 5.8356 5.8356 9.3124 9.3124 9.6202 9.6202 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0906 -20.0906 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4916 -3.4916 2.1041 2.1041 3.2117 3.2117 3.4764 3.4764 5.5630 5.5630 5.8356 5.8356 9.3124 9.3124 9.6202 9.6202 k = 0.5000-0.2749 0.4180 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0905 -20.0905 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4914 -3.4914 2.1051 2.1051 3.2090 3.2090 3.4730 3.4730 5.5690 5.5690 5.8411 5.8411 9.3109 9.3109 9.6135 9.6135 k = 0.5000-0.2612 0.4277 ( 7202 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2636 -20.2636 -20.2595 -20.2595 -20.0904 -20.0904 -20.0858 -20.0858 -20.0797 -20.0797 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4911 -3.4911 2.1080 2.1080 3.2008 3.2008 3.4632 3.4632 5.5868 5.5868 5.8574 5.8574 9.3058 9.3058 9.5950 9.5950 k = 0.5000-0.2474 0.4374 ( 7204 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2636 -20.2636 -20.2596 -20.2596 -20.0904 -20.0904 -20.0858 -20.0858 -20.0797 -20.0797 -20.0759 -20.0759 -10.6597 -10.6597 -10.4011 -10.4011 -10.3920 -10.3920 -3.4904 -3.4904 2.1128 2.1128 3.1875 3.1875 3.4472 3.4472 5.6160 5.6160 5.8842 5.8842 9.2950 9.2950 9.5685 9.5685 k = 0.5000-0.2337 0.4471 ( 7212 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2635 -20.2635 -20.2596 -20.2596 -20.0903 -20.0903 -20.0859 -20.0859 -20.0796 -20.0796 -20.0760 -20.0760 -10.6597 -10.6597 -10.4010 -10.4010 -10.3921 -10.3921 -3.4896 -3.4896 2.1194 2.1194 3.1695 3.1695 3.4257 3.4257 5.6561 5.6561 5.9210 5.9210 9.2749 9.2749 9.5402 9.5402 k = 0.5000-0.2199 0.4568 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2635 -20.2635 -20.2597 -20.2597 -20.0902 -20.0902 -20.0859 -20.0859 -20.0796 -20.0796 -20.0762 -20.0762 -10.6597 -10.6597 -10.4009 -10.4009 -10.3922 -10.3922 -3.4885 -3.4885 2.1280 2.1280 3.1472 3.1472 3.3995 3.3995 5.7064 5.7064 5.9671 5.9671 9.2414 9.2414 9.5163 9.5163 k = 0.5000-0.2062 0.4666 ( 7220 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2634 -20.2634 -20.2597 -20.2597 -20.0901 -20.0901 -20.0859 -20.0859 -20.0796 -20.0796 -20.0763 -20.0763 -10.6597 -10.6597 -10.4008 -10.4008 -10.3923 -10.3923 -3.4872 -3.4872 2.1384 2.1384 3.1212 3.1212 3.3696 3.3696 5.7662 5.7662 6.0217 6.0217 9.1924 9.1924 9.4811 9.4811 k = 0.5000-0.1925 0.4763 ( 7224 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2633 -20.2633 -20.2598 -20.2598 -20.0900 -20.0900 -20.0860 -20.0860 -20.0796 -20.0796 -20.0764 -20.0764 -10.6597 -10.6597 -10.4007 -10.4007 -10.3925 -10.3925 -3.4858 -3.4858 2.1507 2.1507 3.0922 3.0922 3.3368 3.3368 5.8346 5.8346 6.0838 6.0838 9.1294 9.1294 9.3677 9.3677 k = 0.5000-0.1787 0.4860 ( 7210 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2633 -20.2633 -20.2598 -20.2598 -20.0899 -20.0899 -20.0859 -20.0859 -20.0795 -20.0795 -20.0765 -20.0765 -10.6597 -10.6597 -10.4006 -10.4006 -10.3926 -10.3926 -3.4842 -3.4842 2.1647 2.1647 3.0606 3.0606 3.3020 3.3020 5.9108 5.9108 6.1526 6.1526 9.0555 9.0555 9.2421 9.2421 k = 0.5000-0.1650 0.4957 ( 7220 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2632 -20.2632 -20.2599 -20.2599 -20.0898 -20.0898 -20.0860 -20.0860 -20.0795 -20.0795 -20.0766 -20.0766 -10.6597 -10.6597 -10.4005 -10.4005 -10.3928 -10.3928 -3.4826 -3.4826 2.1805 2.1805 3.0270 3.0270 3.2663 3.2663 5.9943 5.9943 6.2272 6.2272 8.9735 8.9735 9.1108 9.1108 k = 0.5000-0.1512 0.5055 ( 7228 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2631 -20.2631 -20.2600 -20.2600 -20.0897 -20.0897 -20.0861 -20.0861 -20.0795 -20.0795 -20.0768 -20.0768 -10.6597 -10.6597 -10.4003 -10.4003 -10.3930 -10.3930 -3.4809 -3.4809 2.1980 2.1980 2.9918 2.9918 3.2304 3.2304 6.0842 6.0842 6.3065 6.3065 8.8846 8.8846 8.9766 8.9766 k = 0.5000-0.1375 0.5152 ( 7238 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2630 -20.2630 -20.2602 -20.2602 -20.0895 -20.0895 -20.0862 -20.0862 -20.0795 -20.0795 -20.0770 -20.0770 -10.6597 -10.6597 -10.4002 -10.4002 -10.3932 -10.3932 -3.4791 -3.4791 2.2171 2.2171 2.9557 2.9557 3.1952 3.1952 6.1800 6.1800 6.3896 6.3896 8.7859 8.7859 8.8456 8.8456 k = 0.5000-0.1237 0.5249 ( 7224 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2628 -20.2628 -20.2603 -20.2603 -20.0893 -20.0893 -20.0862 -20.0862 -20.0794 -20.0794 -20.0771 -20.0771 -10.6597 -10.6597 -10.4000 -10.4000 -10.3934 -10.3934 -3.4774 -3.4774 2.2377 2.2377 2.9188 2.9188 3.1614 3.1614 6.2812 6.2812 6.4755 6.4755 8.6664 8.6664 8.7315 8.7315 k = 0.5000-0.1100 0.5346 ( 7228 PWs) bands (ev): -48.2102 -48.2102 -48.2100 -48.2100 -26.9489 -26.9489 -20.2627 -20.2627 -20.2604 -20.2604 -20.0891 -20.0891 -20.0863 -20.0863 -20.0793 -20.0793 -20.0773 -20.0773 -10.6598 -10.6598 -10.3998 -10.3998 -10.3936 -10.3936 -3.4757 -3.4757 2.2597 2.2597 2.8816 2.8816 3.1296 3.1296 6.3870 6.3870 6.5630 6.5630 8.5293 8.5293 8.6329 8.6329 k = 0.5000-0.0962 0.5443 ( 7236 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2626 -20.2626 -20.2605 -20.2605 -20.0890 -20.0890 -20.0864 -20.0864 -20.0793 -20.0793 -20.0774 -20.0774 -10.6598 -10.6598 -10.3997 -10.3997 -10.3939 -10.3939 -3.4741 -3.4741 2.2828 2.2828 2.8446 2.8446 3.1004 3.1004 6.4969 6.4969 6.6513 6.6513 8.3867 8.3867 8.5400 8.5400 k = 0.5000-0.0825 0.5541 ( 7224 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2625 -20.2625 -20.2606 -20.2606 -20.0887 -20.0887 -20.0865 -20.0865 -20.0792 -20.0792 -20.0776 -20.0776 -10.6598 -10.6598 -10.3995 -10.3995 -10.3941 -10.3941 -3.4727 -3.4727 2.3067 2.3067 2.8081 2.8081 3.0744 3.0744 6.6100 6.6100 6.7390 6.7390 8.2426 8.2426 8.4508 8.4508 k = 0.5000-0.0687 0.5638 ( 7228 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0886 -20.0886 -20.0866 -20.0866 -20.0791 -20.0791 -20.0778 -20.0778 -10.6598 -10.6598 -10.3994 -10.3994 -10.3943 -10.3943 -3.4714 -3.4714 2.3310 2.3310 2.7729 2.7729 3.0517 3.0517 6.7244 6.7244 6.8259 6.8259 8.0984 8.0984 8.3664 8.3664 k = 0.5000-0.0550 0.5735 ( 7236 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0884 -20.0884 -20.0867 -20.0867 -20.0791 -20.0791 -20.0779 -20.0779 -10.6598 -10.6598 -10.3992 -10.3992 -10.3944 -10.3944 -3.4703 -3.4703 2.3551 2.3551 2.7397 2.7397 3.0329 3.0329 6.8346 6.8346 6.9145 6.9145 7.9549 7.9549 8.2889 8.2889 k = 0.5000-0.0412 0.5832 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2610 -20.2610 -20.0883 -20.0883 -20.0869 -20.0869 -20.0790 -20.0790 -20.0781 -20.0781 -10.6598 -10.6598 -10.3991 -10.3991 -10.3946 -10.3946 -3.4695 -3.4695 2.3776 2.3776 2.7099 2.7099 3.0180 3.0180 6.9262 6.9262 7.0152 7.0152 7.8128 7.8128 8.2214 8.2214 k = 0.5000-0.0275 0.5929 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2612 -20.2612 -20.0881 -20.0881 -20.0870 -20.0870 -20.0788 -20.0788 -20.0783 -20.0783 -10.6598 -10.6598 -10.3990 -10.3990 -10.3947 -10.3947 -3.4688 -3.4688 2.3969 2.3969 2.6852 2.6852 3.0073 3.0073 6.9899 6.9899 7.1328 7.1328 7.6725 7.6725 8.1680 8.1680 k = 0.5000-0.0137 0.6027 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2612 -20.2612 -20.0880 -20.0880 -20.0870 -20.0870 -20.0787 -20.0787 -20.0784 -20.0784 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4684 -3.4684 2.4105 2.4105 2.6685 2.6685 3.0009 3.0009 7.0283 7.0283 7.2586 7.2586 7.5357 7.5357 8.1332 8.1332 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0786 -20.0786 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4683 -3.4683 2.4154 2.4154 2.6625 2.6625 2.9987 2.9987 7.0413 7.0413 7.3623 7.3623 7.4287 7.4287 8.1211 8.1211 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0786 -20.0786 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4683 -3.4683 2.4154 2.4154 2.6625 2.6625 2.9987 2.9987 7.0413 7.0413 7.3623 7.3623 7.4287 7.4287 8.1211 8.1211 k = 0.4917 0.0144 0.6124 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0787 -20.0787 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4684 -3.4684 2.4123 2.4123 2.6637 2.6637 3.0029 3.0029 7.0305 7.0305 7.3013 7.3013 7.4969 7.4969 8.1282 8.1282 k = 0.4833 0.0289 0.6124 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2612 -20.2612 -20.0881 -20.0881 -20.0870 -20.0870 -20.0788 -20.0788 -20.0784 -20.0784 -10.6598 -10.6598 -10.3990 -10.3990 -10.3947 -10.3947 -3.4688 -3.4688 2.4042 2.4042 2.6654 2.6654 3.0162 3.0162 6.9894 6.9894 7.2390 7.2390 7.5918 7.5918 8.1474 8.1474 k = 0.4750 0.0433 0.6124 ( 7235 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2611 -20.2611 -20.0881 -20.0881 -20.0869 -20.0869 -20.0789 -20.0789 -20.0783 -20.0783 -10.6598 -10.6598 -10.3990 -10.3990 -10.3946 -10.3946 -3.4693 -3.4693 2.3930 2.3930 2.6654 2.6654 3.0385 3.0385 6.9144 6.9144 7.2049 7.2049 7.6905 7.6905 8.1763 8.1763 k = 0.4667 0.0577 0.6124 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2611 -20.2611 -20.0882 -20.0882 -20.0869 -20.0869 -20.0789 -20.0789 -20.0782 -20.0782 -10.6598 -10.6598 -10.3992 -10.3992 -10.3945 -10.3945 -3.4700 -3.4700 2.3801 2.3801 2.6629 2.6629 3.0686 3.0686 6.8194 6.8194 7.1892 7.1892 7.7912 7.7912 8.2130 8.2130 k = 0.4583 0.0722 0.6124 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2610 -20.2610 -20.0882 -20.0882 -20.0868 -20.0868 -20.0790 -20.0790 -20.0782 -20.0782 -10.6597 -10.6597 -10.3993 -10.3993 -10.3943 -10.3943 -3.4708 -3.4708 2.3668 2.3668 2.6580 2.6580 3.1049 3.1049 6.7174 6.7174 7.1812 7.1812 7.8935 7.8935 8.2560 8.2560 k = 0.4500 0.0866 0.6124 ( 7231 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0883 -20.0883 -20.0867 -20.0867 -20.0791 -20.0791 -20.0781 -20.0781 -10.6597 -10.6597 -10.3994 -10.3994 -10.3941 -10.3941 -3.4716 -3.4716 2.3536 2.3536 2.6515 2.6515 3.1452 3.1452 6.6156 6.6156 7.1760 7.1760 7.9971 7.9971 8.3039 8.3039 k = 0.4417 0.1010 0.6124 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0883 -20.0883 -20.0866 -20.0866 -20.0791 -20.0791 -20.0781 -20.0781 -10.6597 -10.6597 -10.3995 -10.3995 -10.3939 -10.3939 -3.4725 -3.4725 2.3411 2.3411 2.6440 2.6440 3.1876 3.1876 6.5175 6.5175 7.1719 7.1719 8.1016 8.1016 8.3557 8.3557 k = 0.4333 0.1155 0.6124 ( 7236 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0884 -20.0884 -20.0866 -20.0866 -20.0792 -20.0792 -20.0780 -20.0780 -10.6597 -10.6597 -10.3996 -10.3996 -10.3938 -10.3938 -3.4733 -3.4733 2.3297 2.3297 2.6363 2.6363 3.2303 3.2303 6.4256 6.4256 7.1682 7.1682 8.2066 8.2066 8.4105 8.4105 k = 0.4250 0.1299 0.6124 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0885 -20.0885 -20.0865 -20.0865 -20.0792 -20.0792 -20.0780 -20.0780 -10.6597 -10.6597 -10.3997 -10.3997 -10.3936 -10.3936 -3.4741 -3.4741 2.3194 2.3194 2.6289 2.6289 3.2716 3.2716 6.3418 6.3418 7.1648 7.1648 8.3115 8.3115 8.4673 8.4673 k = 0.4167 0.1443 0.6124 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0865 -20.0865 -20.0793 -20.0793 -20.0780 -20.0780 -10.6597 -10.6597 -10.3998 -10.3998 -10.3935 -10.3935 -3.4748 -3.4748 2.3105 2.3105 2.6221 2.6221 3.3098 3.3098 6.2675 6.2675 7.1616 7.1616 8.4151 8.4151 8.5257 8.5257 k = 0.4083 0.1588 0.6124 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0864 -20.0864 -20.0793 -20.0793 -20.0780 -20.0780 -10.6597 -10.6597 -10.3999 -10.3999 -10.3934 -10.3934 -3.4754 -3.4754 2.3031 2.3031 2.6162 2.6162 3.3437 3.3437 6.2043 6.2043 7.1589 7.1589 8.5143 8.5143 8.5868 8.5868 k = 0.4000 0.1732 0.6124 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6597 -10.6597 -10.4000 -10.4000 -10.3933 -10.3933 -3.4759 -3.4759 2.2973 2.2973 2.6115 2.6115 3.3716 3.3716 6.1535 6.1535 7.1566 7.1566 8.5980 8.5980 8.6584 8.6584 k = 0.3917 0.1876 0.6124 ( 7249 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2625 -20.2625 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6596 -10.6596 -10.4000 -10.4000 -10.3932 -10.3932 -3.4763 -3.4763 2.2931 2.2931 2.6080 2.6080 3.3926 3.3926 6.1162 6.1162 7.1549 7.1549 8.6549 8.6549 8.7458 8.7458 k = 0.3833 0.2021 0.6124 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2625 -20.2625 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4765 -3.4765 2.2906 2.2906 2.6059 2.6059 3.4055 3.4055 6.0935 6.0935 7.1539 7.1539 8.6900 8.6900 8.8314 8.8314 k = 0.3750 0.2165 0.6124 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.3750 0.2165 0.6124 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.3665 0.2116 0.5985 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0884 -20.0884 -20.0864 -20.0864 -20.0793 -20.0793 -20.0781 -20.0781 -10.6596 -10.6596 -10.4000 -10.4000 -10.3931 -10.3931 -3.4765 -3.4765 2.3045 2.3045 2.5648 2.5648 3.4167 3.4167 6.1407 6.1407 7.2976 7.2976 8.6181 8.6181 8.7838 8.7838 k = 0.3580 0.2067 0.5845 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0881 -20.0881 -20.0865 -20.0865 -20.0793 -20.0793 -20.0784 -20.0784 -10.6596 -10.6596 -10.4000 -10.4000 -10.3930 -10.3930 -3.4769 -3.4769 2.3113 2.3113 2.5373 2.5373 3.4245 3.4245 6.1981 6.1981 7.4397 7.4397 8.5370 8.5370 8.6909 8.6909 k = 0.3494 0.2017 0.5706 ( 7234 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2611 -20.2611 -20.0878 -20.0878 -20.0865 -20.0865 -20.0792 -20.0792 -20.0787 -20.0787 -10.6595 -10.6595 -10.4000 -10.4000 -10.3929 -10.3929 -3.4778 -3.4778 2.3064 2.3064 2.5269 2.5269 3.4332 3.4332 6.2578 6.2578 7.5763 7.5763 8.4620 8.4620 8.5985 8.5985 k = 0.3409 0.1968 0.5567 ( 7218 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2611 -20.2611 -20.0875 -20.0875 -20.0865 -20.0865 -20.0791 -20.0791 -20.0789 -20.0789 -10.6595 -10.6595 -10.4000 -10.4000 -10.3928 -10.3928 -3.4793 -3.4793 2.2900 2.2900 2.5337 2.5337 3.4428 3.4428 6.3196 6.3196 7.7009 7.7009 8.3991 8.3991 8.5067 8.5067 k = 0.3324 0.1919 0.5428 ( 7212 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0873 -20.0873 -20.0865 -20.0865 -20.0792 -20.0792 -20.0790 -20.0790 -10.6594 -10.6594 -10.4000 -10.4000 -10.3926 -10.3926 -3.4815 -3.4815 2.2665 2.2665 2.5534 2.5534 3.4534 3.4534 6.3831 6.3831 7.8008 7.8008 8.3599 8.3599 8.4162 8.4162 k = 0.3239 0.1870 0.5289 ( 7228 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0872 -20.0872 -20.0864 -20.0864 -20.0796 -20.0796 -20.0790 -20.0790 -10.6593 -10.6593 -10.4000 -10.4000 -10.3924 -10.3924 -3.4845 -3.4845 2.2408 2.2408 2.5813 2.5813 3.4648 3.4648 6.4481 6.4481 7.8567 7.8567 8.3261 8.3261 8.3638 8.3638 k = 0.3153 0.1821 0.5149 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2611 -20.2611 -20.0872 -20.0872 -20.0862 -20.0862 -20.0799 -20.0799 -20.0790 -20.0790 -10.6592 -10.6592 -10.4000 -10.4000 -10.3922 -10.3922 -3.4882 -3.4882 2.2161 2.2161 2.6145 2.6145 3.4772 3.4772 6.5140 6.5140 7.8587 7.8587 8.2385 8.2385 8.4178 8.4178 k = 0.3068 0.1771 0.5010 ( 7232 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2609 -20.2609 -20.0871 -20.0871 -20.0860 -20.0860 -20.0802 -20.0802 -20.0789 -20.0789 -10.6591 -10.6591 -10.3999 -10.3999 -10.3919 -10.3919 -3.4928 -3.4928 2.1939 2.1939 2.6513 2.6513 3.4904 3.4904 6.5802 6.5802 7.8218 7.8218 8.1523 8.1523 8.3878 8.3878 k = 0.2983 0.1722 0.4871 ( 7234 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2607 -20.2607 -20.0872 -20.0872 -20.0857 -20.0857 -20.0805 -20.0805 -20.0789 -20.0789 -10.6589 -10.6589 -10.3999 -10.3999 -10.3917 -10.3917 -3.4983 -3.4983 2.1754 2.1754 2.6910 2.6910 3.5046 3.5046 6.6456 6.6456 7.7659 7.7659 8.0680 8.0680 8.3082 8.3082 k = 0.2898 0.1673 0.4732 ( 7230 PWs) bands (ev): -48.2102 -48.2102 -48.2100 -48.2100 -26.9489 -26.9489 -20.2623 -20.2623 -20.2605 -20.2605 -20.0872 -20.0872 -20.0854 -20.0854 -20.0808 -20.0808 -20.0788 -20.0788 -10.6588 -10.6588 -10.3998 -10.3998 -10.3914 -10.3914 -3.5046 -3.5046 2.1611 2.1611 2.7328 2.7328 3.5197 3.5197 6.7090 6.7090 7.7030 7.7030 7.9859 7.9859 8.2303 8.2303 k = 0.2812 0.1624 0.4593 ( 7226 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2625 -20.2625 -20.2603 -20.2603 -20.0873 -20.0873 -20.0850 -20.0850 -20.0811 -20.0811 -20.0788 -20.0788 -10.6586 -10.6586 -10.3997 -10.3997 -10.3911 -10.3911 -3.5118 -3.5118 2.1514 2.1514 2.7765 2.7765 3.5357 3.5357 6.7684 6.7684 7.6400 7.6400 7.9060 7.9060 8.1540 8.1540 k = 0.2727 0.1575 0.4454 ( 7238 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2627 -20.2627 -20.2601 -20.2601 -20.0873 -20.0873 -20.0847 -20.0847 -20.0815 -20.0815 -20.0787 -20.0787 -10.6584 -10.6584 -10.3995 -10.3995 -10.3908 -10.3908 -3.5200 -3.5200 2.1465 2.1465 2.8217 2.8217 3.5527 3.5527 6.8211 6.8211 7.5815 7.5815 7.8286 7.8286 8.0795 8.0795 k = 0.2642 0.1525 0.4314 ( 7234 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2629 -20.2629 -20.2599 -20.2599 -20.0874 -20.0874 -20.0844 -20.0844 -20.0818 -20.0818 -20.0786 -20.0786 -10.6582 -10.6582 -10.3993 -10.3993 -10.3905 -10.3905 -3.5290 -3.5290 2.1466 2.1466 2.8682 2.8682 3.5706 3.5706 6.8630 6.8630 7.5325 7.5325 7.7540 7.7540 8.0069 8.0069 k = 0.2557 0.1476 0.4175 ( 7231 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9490 -26.9490 -20.2630 -20.2630 -20.2597 -20.2597 -20.0874 -20.0874 -20.0840 -20.0840 -20.0821 -20.0821 -20.0786 -20.0786 -10.6580 -10.6580 -10.3991 -10.3991 -10.3902 -10.3902 -3.5390 -3.5390 2.1518 2.1518 2.9158 2.9158 3.5895 3.5895 6.8889 6.8889 7.4978 7.4978 7.6828 7.6828 7.9363 7.9363 k = 0.2472 0.1427 0.4036 ( 7219 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2632 -20.2632 -20.2595 -20.2595 -20.0874 -20.0874 -20.0837 -20.0837 -20.0824 -20.0824 -20.0785 -20.0785 -10.6577 -10.6577 -10.3988 -10.3988 -10.3899 -10.3899 -3.5497 -3.5497 2.1621 2.1621 2.9644 2.9644 3.6093 3.6093 6.8942 6.8942 7.4806 7.4806 7.6162 7.6162 7.8677 7.8677 k = 0.2386 0.1378 0.3897 ( 7229 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2634 -20.2634 -20.2592 -20.2592 -20.0876 -20.0876 -20.0833 -20.0833 -20.0828 -20.0828 -20.0785 -20.0785 -10.6574 -10.6574 -10.3985 -10.3985 -10.3897 -10.3897 -3.5613 -3.5613 2.1776 2.1776 3.0138 3.0138 3.6300 3.6300 6.8776 6.8776 7.4757 7.4757 7.5605 7.5605 7.8011 7.8011 k = 0.2301 0.1329 0.3758 ( 7241 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2636 -20.2636 -20.2591 -20.2591 -20.0877 -20.0877 -20.0832 -20.0832 -20.0830 -20.0830 -20.0784 -20.0784 -10.6571 -10.6571 -10.3982 -10.3982 -10.3894 -10.3894 -3.5736 -3.5736 2.1983 2.1983 3.0637 3.0637 3.6517 3.6517 6.8419 6.8419 7.4528 7.4528 7.5423 7.5423 7.7366 7.7366 k = 0.2216 0.1279 0.3619 ( 7239 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2638 -20.2638 -20.2588 -20.2588 -20.0877 -20.0877 -20.0835 -20.0835 -20.0826 -20.0826 -20.0783 -20.0783 -10.6568 -10.6568 -10.3978 -10.3978 -10.3891 -10.3891 -3.5866 -3.5866 2.2242 2.2242 3.1140 3.1140 3.6743 3.6743 6.7925 6.7925 7.4028 7.4028 7.5648 7.5648 7.6743 7.6743 k = 0.2131 0.1230 0.3479 ( 7241 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2640 -20.2640 -20.2586 -20.2586 -20.0878 -20.0878 -20.0838 -20.0838 -20.0823 -20.0823 -20.0783 -20.0783 -10.6565 -10.6565 -10.3974 -10.3974 -10.3888 -10.3888 -3.6002 -3.6002 2.2551 2.2551 3.1645 3.1645 3.6978 3.6978 6.7339 6.7339 7.3480 7.3480 7.5991 7.5991 7.6150 7.6150 k = 0.2045 0.1181 0.3340 ( 7251 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2641 -20.2641 -20.2585 -20.2585 -20.0878 -20.0878 -20.0841 -20.0841 -20.0821 -20.0821 -20.0783 -20.0783 -10.6562 -10.6562 -10.3969 -10.3969 -10.3886 -10.3886 -3.6144 -3.6144 2.2910 2.2910 3.2150 3.2150 3.7223 3.7223 6.6695 6.6695 7.2944 7.2944 7.5558 7.5558 7.6375 7.6375 k = 0.1960 0.1132 0.3201 ( 7251 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2643 -20.2643 -20.2583 -20.2583 -20.0878 -20.0878 -20.0844 -20.0844 -20.0817 -20.0817 -20.0783 -20.0783 -10.6559 -10.6559 -10.3964 -10.3964 -10.3883 -10.3883 -3.6290 -3.6290 2.3318 2.3318 3.2653 3.2653 3.7475 3.7475 6.6016 6.6016 7.2434 7.2434 7.5002 7.5002 7.6720 7.6720 k = 0.1875 0.1083 0.3062 ( 7247 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2644 -20.2644 -20.2581 -20.2581 -20.0879 -20.0879 -20.0847 -20.0847 -20.0814 -20.0814 -20.0782 -20.0782 -10.6555 -10.6555 -10.3959 -10.3959 -10.3881 -10.3881 -3.6439 -3.6439 2.3774 2.3774 3.3151 3.3151 3.7737 3.7737 6.5314 6.5314 7.1953 7.1953 7.4467 7.4467 7.7008 7.7008 k = 0.1790 0.1033 0.2923 ( 7243 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9491 -26.9491 -20.2646 -20.2646 -20.2579 -20.2579 -20.0879 -20.0879 -20.0850 -20.0850 -20.0811 -20.0811 -20.0781 -20.0781 -10.6551 -10.6551 -10.3953 -10.3953 -10.3879 -10.3879 -3.6591 -3.6591 2.4276 2.4276 3.3643 3.3643 3.8007 3.8007 6.4598 6.4598 7.1504 7.1504 7.3955 7.3955 7.7215 7.7215 k = 0.1705 0.0984 0.2784 ( 7259 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2647 -20.2647 -20.2578 -20.2578 -20.0879 -20.0879 -20.0853 -20.0853 -20.0809 -20.0809 -20.0781 -20.0781 -10.6548 -10.6548 -10.3948 -10.3948 -10.3877 -10.3877 -3.6745 -3.6745 2.4823 2.4823 3.4127 3.4127 3.8284 3.8284 6.3871 6.3871 7.1089 7.1089 7.3466 7.3466 7.7322 7.7322 k = 0.1619 0.0935 0.2644 ( 7259 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2649 -20.2649 -20.2576 -20.2576 -20.0880 -20.0880 -20.0856 -20.0856 -20.0805 -20.0805 -20.0780 -20.0780 -10.6544 -10.6544 -10.3942 -10.3942 -10.3875 -10.3875 -3.6899 -3.6899 2.5414 2.5414 3.4600 3.4600 3.8568 3.8568 6.3137 6.3137 7.0708 7.0708 7.3000 7.3000 7.7316 7.7316 k = 0.1534 0.0886 0.2505 ( 7255 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2650 -20.2650 -20.2575 -20.2575 -20.0880 -20.0880 -20.0858 -20.0858 -20.0803 -20.0803 -20.0780 -20.0780 -10.6540 -10.6540 -10.3936 -10.3936 -10.3873 -10.3873 -3.7052 -3.7052 2.6045 2.6045 3.5060 3.5060 3.8858 3.8858 6.2397 6.2397 7.0361 7.0361 7.2557 7.2557 7.7187 7.7187 k = 0.1449 0.0837 0.2366 ( 7257 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2652 -20.2652 -20.2573 -20.2573 -20.0881 -20.0881 -20.0861 -20.0861 -20.0800 -20.0800 -20.0779 -20.0779 -10.6537 -10.6537 -10.3929 -10.3929 -10.3871 -10.3871 -3.7204 -3.7204 2.6715 2.6715 3.5507 3.5507 3.9152 3.9152 6.1648 6.1648 7.0049 7.0049 7.2138 7.2138 7.6929 7.6929 k = 0.1364 0.0787 0.2227 ( 7265 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2653 -20.2653 -20.2572 -20.2572 -20.0881 -20.0881 -20.0864 -20.0864 -20.0797 -20.0797 -20.0779 -20.0779 -10.6533 -10.6533 -10.3923 -10.3923 -10.3870 -10.3870 -3.7354 -3.7354 2.7422 2.7422 3.5938 3.5938 3.9450 3.9450 6.0891 6.0891 6.9772 6.9772 7.1742 7.1742 7.6546 7.6546 k = 0.1278 0.0738 0.2088 ( 7261 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2655 -20.2655 -20.2570 -20.2570 -20.0881 -20.0881 -20.0866 -20.0866 -20.0794 -20.0794 -20.0779 -20.0779 -10.6529 -10.6529 -10.3917 -10.3917 -10.3868 -10.3868 -3.7500 -3.7500 2.8162 2.8162 3.6354 3.6354 3.9749 3.9749 6.0123 6.0123 6.9529 6.9529 7.1369 7.1369 7.6046 7.6046 k = 0.1193 0.0689 0.1948 ( 7269 PWs) bands (ev): -48.2107 -48.2107 -48.2097 -48.2097 -26.9491 -26.9491 -20.2655 -20.2655 -20.2569 -20.2569 -20.0881 -20.0881 -20.0868 -20.0868 -20.0793 -20.0793 -20.0779 -20.0779 -10.6526 -10.6526 -10.3911 -10.3911 -10.3867 -10.3867 -3.7641 -3.7641 2.8931 2.8931 3.6754 3.6754 4.0047 4.0047 5.9342 5.9342 6.9319 6.9319 7.1021 7.1021 7.5448 7.5448 k = 0.1108 0.0640 0.1809 ( 7259 PWs) bands (ev): -48.2107 -48.2107 -48.2097 -48.2097 -26.9492 -26.9492 -20.2656 -20.2656 -20.2568 -20.2568 -20.0881 -20.0881 -20.0869 -20.0869 -20.0790 -20.0790 -20.0779 -20.0779 -10.6522 -10.6522 -10.3905 -10.3905 -10.3866 -10.3866 -3.7777 -3.7777 2.9725 2.9725 3.7140 3.7140 4.0341 4.0341 5.8544 5.8544 6.9142 6.9142 7.0696 7.0696 7.4777 7.4777 k = 0.1023 0.0590 0.1670 ( 7271 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2657 -20.2657 -20.2567 -20.2567 -20.0882 -20.0882 -20.0871 -20.0871 -20.0789 -20.0789 -20.0779 -20.0779 -10.6519 -10.6519 -10.3899 -10.3899 -10.3865 -10.3865 -3.7907 -3.7907 3.0539 3.0539 3.7514 3.7514 4.0629 4.0629 5.7728 5.7728 6.8996 6.8996 7.0395 7.0395 7.4062 7.4062 k = 0.0938 0.0541 0.1531 ( 7279 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2658 -20.2658 -20.2566 -20.2566 -20.0882 -20.0882 -20.0873 -20.0873 -20.0787 -20.0787 -20.0779 -20.0779 -10.6516 -10.6516 -10.3893 -10.3893 -10.3864 -10.3864 -3.8030 -3.8030 3.1365 3.1365 3.7878 3.7878 4.0908 4.0908 5.6891 5.6891 6.8880 6.8880 7.0118 7.0118 7.3330 7.3330 k = 0.0852 0.0492 0.1392 ( 7271 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2659 -20.2659 -20.2565 -20.2565 -20.0882 -20.0882 -20.0875 -20.0875 -20.0785 -20.0785 -20.0778 -20.0778 -10.6513 -10.6513 -10.3888 -10.3888 -10.3863 -10.3863 -3.8144 -3.8144 3.2195 3.2195 3.8239 3.8239 4.1174 4.1174 5.6032 5.6032 6.8790 6.8790 6.9864 6.9864 7.2605 7.2605 k = 0.0767 0.0443 0.1253 ( 7283 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2565 -20.2565 -20.0882 -20.0882 -20.0876 -20.0876 -20.0784 -20.0784 -20.0778 -20.0778 -10.6510 -10.6510 -10.3883 -10.3883 -10.3862 -10.3862 -3.8251 -3.8251 3.3015 3.3015 3.8604 3.8604 4.1424 4.1424 5.5152 5.5152 6.8724 6.8724 6.9635 6.9635 7.1910 7.1910 k = 0.0682 0.0394 0.1113 ( 7279 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2564 -20.2564 -20.0882 -20.0882 -20.0877 -20.0877 -20.0783 -20.0783 -20.0778 -20.0778 -10.6508 -10.6508 -10.3878 -10.3878 -10.3861 -10.3861 -3.8347 -3.8347 3.3810 3.3810 3.8985 3.8985 4.1656 4.1656 5.4251 5.4251 6.8678 6.8678 6.9430 6.9430 7.1260 7.1260 k = 0.0597 0.0344 0.0974 ( 7287 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2564 -20.2564 -20.0882 -20.0882 -20.0878 -20.0878 -20.0782 -20.0782 -20.0778 -20.0778 -10.6506 -10.6506 -10.3874 -10.3874 -10.3861 -10.3861 -3.8434 -3.8434 3.4559 3.4559 3.9394 3.9394 4.1867 4.1867 5.3336 5.3336 6.8651 6.8651 6.9249 6.9249 7.0669 7.0669 k = 0.0511 0.0295 0.0835 ( 7291 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2563 -20.2563 -20.0882 -20.0882 -20.0879 -20.0879 -20.0781 -20.0781 -20.0778 -20.0778 -10.6504 -10.6504 -10.3870 -10.3870 -10.3860 -10.3860 -3.8510 -3.8510 3.5238 3.5238 3.9847 3.9847 4.2054 4.2054 5.2414 5.2414 6.8637 6.8637 6.9092 6.9092 7.0145 7.0145 k = 0.0426 0.0246 0.0696 ( 7291 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0882 -20.0882 -20.0880 -20.0880 -20.0780 -20.0780 -20.0778 -20.0778 -10.6502 -10.6502 -10.3867 -10.3867 -10.3860 -10.3860 -3.8576 -3.8576 3.5822 3.5822 4.0353 4.0353 4.2216 4.2216 5.1498 5.1498 6.8634 6.8634 6.8959 6.8959 6.9695 6.9695 k = 0.0341 0.0197 0.0557 ( 7307 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0882 -20.0882 -20.0881 -20.0881 -20.0780 -20.0780 -20.0778 -20.0778 -10.6501 -10.6501 -10.3864 -10.3864 -10.3859 -10.3859 -3.8630 -3.8630 3.6296 3.6296 4.0911 4.0911 4.2351 4.2351 5.0609 5.0609 6.8637 6.8637 6.8850 6.8850 6.9323 6.9323 k = 0.0256 0.0148 0.0418 ( 7313 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2563 -20.2563 -20.0882 -20.0882 -20.0882 -20.0882 -20.0780 -20.0780 -20.0778 -20.0778 -10.6500 -10.6500 -10.3862 -10.3862 -10.3859 -10.3859 -3.8672 -3.8672 3.6653 3.6653 4.1490 4.1490 4.2457 4.2457 4.9782 4.9782 6.8643 6.8643 6.8765 6.8765 6.9032 6.9032 k = 0.0170 0.0098 0.0278 ( 7309 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0883 -20.0883 -20.0882 -20.0882 -20.0779 -20.0779 -20.0778 -20.0778 -10.6499 -10.6499 -10.3860 -10.3860 -10.3859 -10.3859 -3.8703 -3.8703 3.6898 3.6898 4.2033 4.2033 4.2534 4.2534 4.9071 4.9071 6.8650 6.8650 6.8705 6.8705 6.8824 6.8824 k = 0.0085 0.0049 0.0139 ( 7303 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0883 -20.0883 -20.0882 -20.0882 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8721 -3.8721 3.7040 3.7040 4.2440 4.2440 4.2580 4.2580 4.8568 4.8568 6.8655 6.8655 6.8668 6.8668 6.8698 6.8698 k = 0.0000 0.0000 0.0000 ( 7343 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2665 -20.2665 -20.2562 -20.2562 -20.0884 -20.0884 -20.0884 -20.0884 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8727 -3.8727 3.7087 3.7087 4.2596 4.2596 4.2596 4.2596 4.8381 4.8381 6.8656 6.8656 6.8656 6.8656 6.8658 6.8658 k = 0.0000 0.0000 0.0000 ( 7343 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2665 -20.2665 -20.2562 -20.2562 -20.0884 -20.0884 -20.0884 -20.0884 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8727 -3.8727 3.7087 3.7087 4.2596 4.2596 4.2596 4.2596 4.8381 4.8381 6.8656 6.8656 6.8656 6.8656 6.8658 6.8658 k = 0.0139 0.0080 0.0057 ( 7291 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0882 -20.0882 -20.0882 -20.0882 -20.0778 -20.0778 -20.0778 -20.0778 -10.6498 -10.6498 -10.3859 -10.3859 -10.3859 -10.3859 -3.8721 -3.8721 3.7040 3.7040 4.2439 4.2439 4.2581 4.2581 4.8567 4.8567 6.8664 6.8664 6.8678 6.8678 6.8679 6.8679 k = 0.0278 0.0160 0.0113 ( 7303 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2663 -20.2663 -20.2562 -20.2562 -20.0882 -20.0882 -20.0882 -20.0882 -20.0779 -20.0779 -20.0778 -20.0778 -10.6499 -10.6499 -10.3860 -10.3860 -10.3859 -10.3859 -3.8703 -3.8703 3.6898 3.6898 4.2031 4.2031 4.2540 4.2540 4.9067 4.9067 6.8689 6.8689 6.8743 6.8743 6.8745 6.8745 k = 0.0417 0.0241 0.0170 ( 7309 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0882 -20.0882 -20.0882 -20.0882 -20.0779 -20.0779 -20.0779 -20.0779 -10.6500 -10.6500 -10.3862 -10.3862 -10.3859 -10.3859 -3.8672 -3.8672 3.6652 3.6652 4.1487 4.1487 4.2471 4.2471 4.9772 4.9772 6.8734 6.8734 6.8850 6.8850 6.8855 6.8855 k = 0.0556 0.0321 0.0227 ( 7303 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0882 -20.0882 -20.0881 -20.0881 -20.0780 -20.0780 -20.0779 -20.0779 -10.6501 -10.6501 -10.3864 -10.3864 -10.3859 -10.3859 -3.8630 -3.8630 3.6291 3.6291 4.0909 4.0909 4.2376 4.2376 5.0588 5.0588 6.8805 6.8805 6.8998 6.8998 6.9008 6.9008 k = 0.0694 0.0401 0.0284 ( 7291 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2662 -20.2662 -20.2563 -20.2563 -20.0881 -20.0881 -20.0881 -20.0881 -20.0780 -20.0780 -20.0778 -20.0778 -10.6502 -10.6502 -10.3867 -10.3867 -10.3859 -10.3859 -3.8576 -3.8576 3.5808 3.5808 4.0358 4.0358 4.2257 4.2257 5.1457 5.1457 6.8908 6.8908 6.9186 6.9186 6.9200 6.9200 k = 0.0833 0.0481 0.0340 ( 7291 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2563 -20.2563 -20.0881 -20.0881 -20.0880 -20.0880 -20.0780 -20.0780 -20.0779 -20.0779 -10.6504 -10.6504 -10.3870 -10.3870 -10.3860 -10.3860 -3.8511 -3.8511 3.5205 3.5205 3.9867 3.9867 4.2115 4.2115 5.2340 5.2340 6.9054 6.9054 6.9412 6.9412 6.9430 6.9430 k = 0.0972 0.0561 0.0397 ( 7285 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2661 -20.2661 -20.2564 -20.2564 -20.0880 -20.0880 -20.0880 -20.0880 -20.0781 -20.0781 -20.0779 -20.0779 -10.6506 -10.6506 -10.3874 -10.3874 -10.3860 -10.3860 -3.8435 -3.8435 3.4500 3.4500 3.9439 3.9439 4.1952 4.1952 5.3209 5.3209 6.9251 6.9251 6.9675 6.9675 6.9695 6.9695 k = 0.1111 0.0642 0.0454 ( 7285 PWs) bands (ev): -48.2108 -48.2108 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2564 -20.2564 -20.0880 -20.0880 -20.0879 -20.0879 -20.0782 -20.0782 -20.0780 -20.0780 -10.6508 -10.6508 -10.3879 -10.3879 -10.3860 -10.3860 -3.8348 -3.8348 3.3715 3.3715 3.9066 3.9066 4.1772 4.1772 5.4044 5.4044 6.9511 6.9511 6.9973 6.9973 6.9992 6.9992 k = 0.1250 0.0722 0.0510 ( 7279 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2660 -20.2660 -20.2565 -20.2565 -20.0880 -20.0880 -20.0878 -20.0878 -20.0782 -20.0782 -20.0780 -20.0780 -10.6510 -10.6510 -10.3884 -10.3884 -10.3861 -10.3861 -3.8251 -3.8251 3.2874 3.2874 3.8735 3.8735 4.1576 4.1576 5.4828 5.4828 6.9842 6.9842 7.0306 7.0306 7.0318 7.0318 k = 0.1389 0.0802 0.0567 ( 7252 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2658 -20.2658 -20.2565 -20.2565 -20.0878 -20.0878 -20.0877 -20.0877 -20.0782 -20.0782 -20.0780 -20.0780 -10.6513 -10.6513 -10.3889 -10.3889 -10.3861 -10.3861 -3.8145 -3.8145 3.2000 3.2000 3.8431 3.8431 4.1366 4.1366 5.5548 5.5548 7.0249 7.0249 7.0669 7.0669 7.0678 7.0678 k = 0.1528 0.0882 0.0624 ( 7264 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2658 -20.2658 -20.2566 -20.2566 -20.0878 -20.0878 -20.0876 -20.0876 -20.0784 -20.0784 -20.0781 -20.0781 -10.6516 -10.6516 -10.3895 -10.3895 -10.3862 -10.3862 -3.8031 -3.8031 3.1107 3.1107 3.8148 3.8148 4.1146 4.1146 5.6192 5.6192 7.0717 7.0717 7.1043 7.1043 7.1108 7.1108 k = 0.1667 0.0962 0.0680 ( 7264 PWs) bands (ev): -48.2107 -48.2107 -48.2096 -48.2096 -26.9492 -26.9492 -20.2657 -20.2657 -20.2567 -20.2567 -20.0877 -20.0877 -20.0876 -20.0876 -20.0785 -20.0785 -20.0782 -20.0782 -10.6519 -10.6519 -10.3901 -10.3901 -10.3862 -10.3862 -3.7908 -3.7908 3.0207 3.0207 3.7877 3.7877 4.0917 4.0917 5.6757 5.6757 7.1204 7.1204 7.1435 7.1435 7.1642 7.1642 k = 0.1806 0.1042 0.0737 ( 7261 PWs) bands (ev): -48.2107 -48.2107 -48.2097 -48.2097 -26.9492 -26.9492 -20.2656 -20.2656 -20.2568 -20.2568 -20.0876 -20.0876 -20.0874 -20.0874 -20.0786 -20.0786 -20.0783 -20.0783 -10.6522 -10.6522 -10.3907 -10.3907 -10.3863 -10.3863 -3.7778 -3.7778 2.9310 2.9310 3.7616 3.7616 4.0682 4.0682 5.7240 5.7240 7.1668 7.1668 7.1843 7.1843 7.2317 7.2317 k = 0.1944 0.1123 0.0794 ( 7255 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2655 -20.2655 -20.2569 -20.2569 -20.0876 -20.0876 -20.0874 -20.0874 -20.0786 -20.0786 -20.0784 -20.0784 -10.6526 -10.6526 -10.3914 -10.3914 -10.3863 -10.3863 -3.7641 -3.7641 2.8423 2.8423 3.7361 3.7361 4.0444 4.0444 5.7646 5.7646 7.2116 7.2116 7.2263 7.2263 7.3118 7.3118 k = 0.2083 0.1203 0.0851 ( 7267 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2654 -20.2654 -20.2570 -20.2570 -20.0875 -20.0875 -20.0872 -20.0872 -20.0788 -20.0788 -20.0786 -20.0786 -10.6529 -10.6529 -10.3921 -10.3921 -10.3864 -10.3864 -3.7499 -3.7499 2.7551 2.7551 3.7114 3.7114 4.0203 4.0203 5.7981 5.7981 7.2562 7.2562 7.2693 7.2693 7.4021 7.4021 k = 0.2222 0.1283 0.0907 ( 7267 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2653 -20.2653 -20.2572 -20.2572 -20.0873 -20.0873 -20.0871 -20.0871 -20.0790 -20.0790 -20.0788 -20.0788 -10.6533 -10.6533 -10.3928 -10.3928 -10.3864 -10.3864 -3.7352 -3.7352 2.6698 2.6698 3.6872 3.6872 3.9963 3.9963 5.8254 5.8254 7.3010 7.3010 7.3129 7.3129 7.5009 7.5009 k = 0.2361 0.1363 0.0964 ( 7267 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2651 -20.2651 -20.2574 -20.2574 -20.0872 -20.0872 -20.0869 -20.0869 -20.0791 -20.0791 -20.0790 -20.0790 -10.6536 -10.6536 -10.3935 -10.3935 -10.3865 -10.3865 -3.7202 -3.7202 2.5867 2.5867 3.6636 3.6636 3.9724 3.9724 5.8476 5.8476 7.3459 7.3459 7.3570 7.3570 7.6066 7.6066 k = 0.2500 0.1443 0.1021 ( 7267 PWs) bands (ev): -48.2106 -48.2106 -48.2097 -48.2097 -26.9491 -26.9491 -20.2650 -20.2650 -20.2575 -20.2575 -20.0871 -20.0871 -20.0868 -20.0868 -20.0793 -20.0793 -20.0791 -20.0791 -10.6540 -10.6540 -10.3942 -10.3942 -10.3865 -10.3865 -3.7049 -3.7049 2.5063 2.5063 3.6407 3.6407 3.9489 3.9489 5.8655 5.8655 7.3909 7.3909 7.4011 7.4011 7.7180 7.7180 k = 0.2639 0.1524 0.1077 ( 7267 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2648 -20.2648 -20.2577 -20.2577 -20.0869 -20.0869 -20.0866 -20.0866 -20.0795 -20.0795 -20.0793 -20.0793 -10.6544 -10.6544 -10.3949 -10.3949 -10.3866 -10.3866 -3.6895 -3.6895 2.4287 2.4287 3.6185 3.6185 3.9259 3.9259 5.8800 5.8800 7.4358 7.4358 7.4451 7.4451 7.8335 7.8335 k = 0.2778 0.1604 0.1134 ( 7276 PWs) bands (ev): -48.2106 -48.2106 -48.2098 -48.2098 -26.9491 -26.9491 -20.2647 -20.2647 -20.2579 -20.2579 -20.0868 -20.0868 -20.0865 -20.0865 -20.0796 -20.0796 -20.0795 -20.0795 -10.6548 -10.6548 -10.3956 -10.3956 -10.3867 -10.3867 -3.6741 -3.6741 2.3542 2.3542 3.5971 3.5971 3.9036 3.9036 5.8919 5.8919 7.4802 7.4802 7.4887 7.4887 7.9518 7.9518 k = 0.2917 0.1684 0.1191 ( 7282 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9491 -26.9491 -20.2646 -20.2646 -20.2580 -20.2580 -20.0866 -20.0866 -20.0863 -20.0863 -20.0798 -20.0798 -20.0797 -20.0797 -10.6551 -10.6551 -10.3963 -10.3963 -10.3867 -10.3867 -3.6588 -3.6588 2.2830 2.2830 3.5765 3.5765 3.8821 3.8821 5.9019 5.9019 7.5240 7.5240 7.5318 7.5318 8.0715 8.0715 k = 0.3056 0.1764 0.1247 ( 7261 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9491 -26.9491 -20.2643 -20.2643 -20.2582 -20.2582 -20.0863 -20.0863 -20.0861 -20.0861 -20.0800 -20.0800 -20.0798 -20.0798 -10.6555 -10.6555 -10.3970 -10.3970 -10.3868 -10.3868 -3.6436 -3.6436 2.2154 2.2154 3.5569 3.5569 3.8615 3.8615 5.9103 5.9103 7.5668 7.5668 7.5739 7.5739 8.1909 8.1909 k = 0.3194 0.1844 0.1304 ( 7255 PWs) bands (ev): -48.2105 -48.2105 -48.2098 -48.2098 -26.9490 -26.9490 -20.2641 -20.2641 -20.2584 -20.2584 -20.0861 -20.0861 -20.0859 -20.0859 -20.0802 -20.0802 -20.0800 -20.0800 -10.6558 -10.6558 -10.3976 -10.3976 -10.3868 -10.3868 -3.6289 -3.6289 2.1515 2.1515 3.5384 3.5384 3.8419 3.8419 5.9177 5.9177 7.6086 7.6086 7.6150 7.6150 8.3077 8.3077 k = 0.3333 0.1925 0.1361 ( 7273 PWs) bands (ev): -48.2105 -48.2105 -48.2099 -48.2099 -26.9490 -26.9490 -20.2639 -20.2639 -20.2587 -20.2587 -20.0859 -20.0859 -20.0857 -20.0857 -20.0805 -20.0805 -20.0803 -20.0803 -10.6562 -10.6562 -10.3982 -10.3982 -10.3869 -10.3869 -3.6146 -3.6146 2.0915 2.0915 3.5209 3.5209 3.8234 3.8234 5.9242 5.9242 7.6489 7.6489 7.6548 7.6548 8.4190 8.4190 k = 0.3472 0.2005 0.1418 ( 7246 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2637 -20.2637 -20.2588 -20.2588 -20.0857 -20.0857 -20.0855 -20.0855 -20.0806 -20.0806 -20.0805 -20.0805 -10.6565 -10.6565 -10.3988 -10.3988 -10.3869 -10.3869 -3.6008 -3.6008 2.0356 2.0356 3.5045 3.5045 3.8061 3.8061 5.9302 5.9302 7.6875 7.6875 7.6930 7.6930 8.5210 8.5210 k = 0.3611 0.2085 0.1474 ( 7252 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2636 -20.2636 -20.2590 -20.2590 -20.0856 -20.0856 -20.0853 -20.0853 -20.0808 -20.0808 -20.0807 -20.0807 -10.6568 -10.6568 -10.3993 -10.3993 -10.3870 -10.3870 -3.5878 -3.5878 1.9840 1.9840 3.4894 3.4894 3.7900 3.7900 5.9357 5.9357 7.7242 7.7242 7.7294 7.7294 8.6084 8.6084 k = 0.3750 0.2165 0.1531 ( 7255 PWs) bands (ev): -48.2104 -48.2104 -48.2099 -48.2099 -26.9490 -26.9490 -20.2633 -20.2633 -20.2592 -20.2592 -20.0854 -20.0854 -20.0851 -20.0851 -20.0810 -20.0810 -20.0809 -20.0809 -10.6571 -10.6571 -10.3998 -10.3998 -10.3870 -10.3870 -3.5756 -3.5756 1.9368 1.9368 3.4756 3.4756 3.7753 3.7753 5.9409 5.9409 7.7587 7.7587 7.7636 7.7636 8.6758 8.6758 k = 0.3889 0.2245 0.1588 ( 7243 PWs) bands (ev): -48.2104 -48.2104 -48.2100 -48.2100 -26.9490 -26.9490 -20.2631 -20.2631 -20.2594 -20.2594 -20.0851 -20.0851 -20.0849 -20.0849 -20.0812 -20.0812 -20.0811 -20.0811 -10.6573 -10.6573 -10.4003 -10.4003 -10.3870 -10.3870 -3.5644 -3.5644 1.8941 1.8941 3.4630 3.4630 3.7620 3.7620 5.9457 5.9457 7.7906 7.7906 7.7953 7.7953 8.7201 8.7201 k = 0.4028 0.2325 0.1644 ( 7246 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9490 -26.9490 -20.2629 -20.2629 -20.2596 -20.2596 -20.0849 -20.0849 -20.0847 -20.0847 -20.0814 -20.0814 -20.0813 -20.0813 -10.6575 -10.6575 -10.4007 -10.4007 -10.3871 -10.3871 -3.5542 -3.5542 1.8561 1.8561 3.4519 3.4519 3.7502 3.7502 5.9501 5.9501 7.8198 7.8198 7.8244 7.8244 8.7411 8.7411 k = 0.4167 0.2406 0.1701 ( 7246 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9490 -26.9490 -20.2627 -20.2627 -20.2599 -20.2599 -20.0847 -20.0847 -20.0845 -20.0845 -20.0817 -20.0817 -20.0816 -20.0816 -10.6577 -10.6577 -10.4011 -10.4011 -10.3871 -10.3871 -3.5451 -3.5451 1.8229 1.8229 3.4421 3.4421 3.7398 3.7398 5.9541 5.9541 7.8458 7.8458 7.8504 7.8504 8.7429 8.7429 k = 0.4306 0.2486 0.1758 ( 7252 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9490 -26.9490 -20.2625 -20.2625 -20.2601 -20.2601 -20.0844 -20.0844 -20.0842 -20.0842 -20.0819 -20.0819 -20.0818 -20.0818 -10.6579 -10.6579 -10.4014 -10.4014 -10.3871 -10.3871 -3.5373 -3.5373 1.7947 1.7947 3.4338 3.4338 3.7310 3.7310 5.9576 5.9576 7.8685 7.8685 7.8731 7.8731 8.7335 8.7335 k = 0.4444 0.2566 0.1814 ( 7246 PWs) bands (ev): -48.2103 -48.2103 -48.2101 -48.2101 -26.9490 -26.9490 -20.2623 -20.2623 -20.2603 -20.2603 -20.0842 -20.0842 -20.0840 -20.0840 -20.0822 -20.0822 -20.0820 -20.0820 -10.6581 -10.6581 -10.4016 -10.4016 -10.3871 -10.3871 -3.5307 -3.5307 1.7714 1.7714 3.4270 3.4270 3.7237 3.7237 5.9607 5.9607 7.8874 7.8874 7.8921 7.8921 8.7199 8.7199 k = 0.4583 0.2646 0.1871 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2620 -20.2620 -20.2606 -20.2606 -20.0840 -20.0840 -20.0838 -20.0838 -20.0824 -20.0824 -20.0823 -20.0823 -10.6582 -10.6582 -10.4018 -10.4018 -10.3872 -10.3872 -3.5256 -3.5256 1.7532 1.7532 3.4217 3.4217 3.7180 3.7180 5.9631 5.9631 7.9025 7.9025 7.9072 7.9072 8.7065 8.7065 k = 0.4722 0.2726 0.1928 ( 7231 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2618 -20.2618 -20.2608 -20.2608 -20.0837 -20.0837 -20.0835 -20.0835 -20.0826 -20.0826 -20.0825 -20.0825 -10.6583 -10.6583 -10.4020 -10.4020 -10.3872 -10.3872 -3.5219 -3.5219 1.7402 1.7402 3.4178 3.4178 3.7140 3.7140 5.9649 5.9649 7.9134 7.9134 7.9182 7.9182 8.6958 8.6958 k = 0.4861 0.2807 0.1985 ( 7249 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2616 -20.2616 -20.2610 -20.2610 -20.0836 -20.0836 -20.0834 -20.0834 -20.0829 -20.0829 -20.0827 -20.0827 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5196 -3.5196 1.7324 1.7324 3.4155 3.4155 3.7115 3.7115 5.9660 5.9660 7.9200 7.9200 7.9248 7.9248 8.6889 8.6889 k = 0.5000 0.2887 0.2041 ( 7270 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2616 -20.2616 -20.2612 -20.2612 -20.0836 -20.0836 -20.0832 -20.0832 -20.0831 -20.0831 -20.0828 -20.0828 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5189 -3.5189 1.7298 1.7298 3.4148 3.4148 3.7107 3.7107 5.9664 5.9664 7.9222 7.9222 7.9271 7.9271 8.6866 8.6866 k = 0.5000 0.2887 0.2041 ( 7270 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2616 -20.2616 -20.2612 -20.2612 -20.0836 -20.0836 -20.0832 -20.0832 -20.0831 -20.0831 -20.0828 -20.0828 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5189 -3.5189 1.7298 1.7298 3.4148 3.4148 3.7107 3.7107 5.9664 5.9664 7.9222 7.9222 7.9271 7.9271 8.6866 8.6866 k = 0.5050 0.2742 0.2123 ( 7250 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0836 -20.0836 -20.0832 -20.0832 -20.0830 -20.0830 -20.0827 -20.0827 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5187 -3.5187 1.7311 1.7311 3.4124 3.4124 3.7079 3.7079 5.9727 5.9727 7.9104 7.9104 7.9273 7.9273 8.7007 8.7007 k = 0.5100 0.2598 0.2205 ( 7248 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0838 -20.0838 -20.0834 -20.0834 -20.0827 -20.0827 -20.0824 -20.0824 -10.6583 -10.6583 -10.4021 -10.4021 -10.3873 -10.3873 -3.5183 -3.5183 1.7353 1.7353 3.4052 3.4052 3.6996 3.6996 5.9915 5.9915 7.8722 7.8722 7.9340 7.9340 8.7397 8.7397 k = 0.5150 0.2454 0.2286 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0841 -20.0841 -20.0836 -20.0836 -20.0825 -20.0825 -20.0822 -20.0822 -10.6584 -10.6584 -10.4020 -10.4020 -10.3874 -10.3874 -3.5176 -3.5176 1.7422 1.7422 3.3928 3.3928 3.6868 3.6868 6.0221 6.0221 7.8162 7.8162 7.9455 7.9455 8.7952 8.7952 k = 0.5200 0.2309 0.2368 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0843 -20.0843 -20.0839 -20.0839 -20.0823 -20.0823 -20.0820 -20.0820 -10.6584 -10.6584 -10.4020 -10.4020 -10.3875 -10.3875 -3.5166 -3.5166 1.7518 1.7518 3.3751 3.3751 3.6705 3.6705 6.0634 6.0634 7.7495 7.7495 7.9617 7.9617 8.8552 8.8552 k = 0.5250 0.2165 0.2449 ( 7243 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0846 -20.0846 -20.0841 -20.0841 -20.0820 -20.0820 -20.0818 -20.0818 -10.6584 -10.6584 -10.4019 -10.4019 -10.3877 -10.3877 -3.5153 -3.5153 1.7641 1.7641 3.3515 3.3515 3.6521 3.6521 6.1138 6.1138 7.6778 7.6778 7.9823 7.9823 8.8810 8.8810 k = 0.5300 0.2021 0.2531 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0848 -20.0848 -20.0843 -20.0843 -20.0818 -20.0818 -20.0815 -20.0815 -10.6585 -10.6585 -10.4018 -10.4018 -10.3879 -10.3879 -3.5138 -3.5138 1.7791 1.7791 3.3220 3.3220 3.6329 3.6329 6.1717 6.1717 7.6050 7.6050 8.0073 8.0073 8.8583 8.8583 k = 0.5350 0.1876 0.2613 ( 7247 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2616 -20.2616 -20.2611 -20.2611 -20.0851 -20.0851 -20.0845 -20.0845 -20.0815 -20.0815 -20.0813 -20.0813 -10.6585 -10.6585 -10.4017 -10.4017 -10.3882 -10.3882 -3.5121 -3.5121 1.7967 1.7967 3.2867 3.2867 3.6138 3.6138 6.2348 6.2348 7.5346 7.5346 8.0366 8.0366 8.8192 8.8192 k = 0.5400 0.1732 0.2694 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2611 -20.2611 -20.0853 -20.0853 -20.0847 -20.0847 -20.0813 -20.0813 -20.0811 -20.0811 -10.6586 -10.6586 -10.4016 -10.4016 -10.3885 -10.3885 -3.5101 -3.5101 1.8168 1.8168 3.2460 3.2460 3.5955 3.5955 6.3003 6.3003 7.4698 7.4698 8.0700 8.0700 8.7677 8.7677 k = 0.5450 0.1588 0.2776 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0855 -20.0855 -20.0849 -20.0849 -20.0811 -20.0811 -20.0809 -20.0809 -10.6586 -10.6586 -10.4015 -10.4015 -10.3888 -10.3888 -3.5080 -3.5080 1.8394 1.8394 3.2009 3.2009 3.5783 3.5783 6.3647 6.3647 7.4139 7.4139 8.1074 8.1074 8.7049 8.7049 k = 0.5500 0.1443 0.2858 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0858 -20.0858 -20.0851 -20.0851 -20.0808 -20.0808 -20.0807 -20.0807 -10.6587 -10.6587 -10.4014 -10.4014 -10.3891 -10.3891 -3.5057 -3.5057 1.8645 1.8645 3.1520 3.1520 3.5621 3.5621 6.4235 6.4235 7.3714 7.3714 8.1487 8.1487 8.6322 8.6322 k = 0.5550 0.1299 0.2939 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0860 -20.0860 -20.0853 -20.0853 -20.0806 -20.0806 -20.0805 -20.0805 -10.6588 -10.6588 -10.4013 -10.4013 -10.3895 -10.3895 -3.5032 -3.5032 1.8918 1.8918 3.1006 3.1006 3.5469 3.5469 6.4713 6.4713 7.3472 7.3472 8.1936 8.1936 8.5513 8.5513 k = 0.5600 0.1155 0.3021 ( 7247 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0862 -20.0862 -20.0855 -20.0855 -20.0804 -20.0804 -20.0803 -20.0803 -10.6588 -10.6588 -10.4011 -10.4011 -10.3898 -10.3898 -3.5007 -3.5007 1.9213 1.9213 3.0474 3.0474 3.5325 3.5325 6.5027 6.5027 7.3463 7.3463 8.2420 8.2420 8.4645 8.4645 k = 0.5650 0.1010 0.3103 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0864 -20.0864 -20.0856 -20.0856 -20.0803 -20.0803 -20.0801 -20.0801 -10.6589 -10.6589 -10.4010 -10.4010 -10.3902 -10.3902 -3.4980 -3.4980 1.9529 1.9529 2.9932 2.9932 3.5189 3.5189 6.5144 6.5144 7.3712 7.3712 8.2934 8.2934 8.3740 8.3740 k = 0.5700 0.0866 0.3184 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2611 -20.2611 -20.0866 -20.0866 -20.0857 -20.0857 -20.0801 -20.0801 -20.0799 -20.0799 -10.6590 -10.6590 -10.4009 -10.4009 -10.3906 -10.3906 -3.4954 -3.4954 1.9864 1.9864 2.9389 2.9389 3.5059 3.5059 6.5070 6.5070 7.4203 7.4203 8.2810 8.2810 8.3489 8.3489 k = 0.5750 0.0722 0.3266 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2611 -20.2611 -20.0868 -20.0868 -20.0859 -20.0859 -20.0800 -20.0800 -20.0797 -20.0797 -10.6591 -10.6591 -10.4007 -10.4007 -10.3909 -10.3909 -3.4927 -3.4927 2.0216 2.0216 2.8851 2.8851 3.4936 3.4936 6.4842 6.4842 7.4880 7.4880 8.1904 8.1904 8.4061 8.4061 k = 0.5800 0.0577 0.3348 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2611 -20.2611 -20.0870 -20.0870 -20.0860 -20.0860 -20.0798 -20.0798 -20.0795 -20.0795 -10.6591 -10.6591 -10.4006 -10.4006 -10.3913 -10.3913 -3.4901 -3.4901 2.0582 2.0582 2.8325 2.8325 3.4818 3.4818 6.4507 6.4507 7.5652 7.5652 8.1057 8.1057 8.4661 8.4661 k = 0.5850 0.0433 0.3429 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2611 -20.2611 -20.0872 -20.0872 -20.0861 -20.0861 -20.0797 -20.0797 -20.0793 -20.0793 -10.6592 -10.6592 -10.4005 -10.4005 -10.3917 -10.3917 -3.4876 -3.4876 2.0959 2.0959 2.7816 2.7816 3.4707 3.4707 6.4107 6.4107 7.6370 7.6370 8.0387 8.0387 8.5283 8.5283 k = 0.5900 0.0289 0.3511 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2610 -20.2610 -20.0874 -20.0874 -20.0862 -20.0862 -20.0796 -20.0796 -20.0791 -20.0791 -10.6593 -10.6593 -10.4003 -10.4003 -10.3920 -10.3920 -3.4853 -3.4853 2.1341 2.1341 2.7334 2.7334 3.4603 3.4603 6.3672 6.3672 7.6735 7.6735 8.0162 8.0162 8.5926 8.5926 k = 0.5950 0.0144 0.3593 ( 7238 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2610 -20.2610 -20.0876 -20.0876 -20.0863 -20.0863 -20.0795 -20.0795 -20.0789 -20.0789 -10.6594 -10.6594 -10.4002 -10.4002 -10.3923 -10.3923 -3.4831 -3.4831 2.1722 2.1722 2.6886 2.6886 3.4505 3.4505 6.3225 6.3225 7.6490 7.6490 8.0620 8.0620 8.6585 8.6585 k = 0.6000 0.0000 0.3674 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2610 -20.2610 -20.0878 -20.0878 -20.0863 -20.0863 -20.0795 -20.0795 -20.0787 -20.0787 -10.6594 -10.6594 -10.4002 -10.4002 -10.3925 -10.3925 -3.4812 -3.4812 2.2091 2.2091 2.6485 2.6485 3.4415 3.4415 6.2781 6.2781 7.5833 7.5833 8.1545 8.1545 8.7257 8.7257 k = 0.6050-0.0144 0.3756 ( 7233 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2609 -20.2609 -20.0879 -20.0879 -20.0863 -20.0863 -20.0794 -20.0794 -20.0785 -20.0785 -10.6595 -10.6595 -10.4001 -10.4001 -10.3927 -10.3927 -3.4795 -3.4795 2.2428 2.2428 2.6150 2.6150 3.4333 3.4333 6.2349 6.2349 7.5017 7.5017 8.2672 8.2672 8.7935 8.7935 k = 0.6100-0.0289 0.3838 ( 7235 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2608 -20.2608 -20.0881 -20.0881 -20.0864 -20.0864 -20.0794 -20.0794 -20.0784 -20.0784 -10.6595 -10.6595 -10.4001 -10.4001 -10.3929 -10.3929 -3.4782 -3.4782 2.2707 2.2707 2.5910 2.5910 3.4260 3.4260 6.1936 6.1936 7.4148 7.4148 8.3877 8.3877 8.8572 8.8572 k = 0.6150-0.0433 0.3919 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0883 -20.0883 -20.0864 -20.0864 -20.0794 -20.0794 -20.0782 -20.0782 -10.6596 -10.6596 -10.4001 -10.4001 -10.3930 -10.3930 -3.4772 -3.4772 2.2891 2.2891 2.5801 2.5801 3.4196 3.4196 6.1548 6.1548 7.3267 7.3267 8.5092 8.5092 8.8568 8.8568 k = 0.6200-0.0577 0.4001 ( 7238 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0864 -20.0864 -20.0794 -20.0794 -20.0780 -20.0780 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4767 -3.4767 2.2952 2.2952 2.5851 2.5851 3.4142 3.4142 6.1188 6.1188 7.2393 7.2393 8.6224 8.6224 8.8509 8.8509 k = 0.6250-0.0722 0.4082 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.6250-0.0722 0.4082 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.6167-0.0674 0.4219 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2625 -20.2625 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4765 -3.4765 2.2906 2.2906 2.6059 2.6059 3.4055 3.4055 6.0935 6.0935 7.1539 7.1539 8.6900 8.6900 8.8314 8.8314 k = 0.6083-0.0625 0.4355 ( 7249 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2625 -20.2625 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6596 -10.6596 -10.4000 -10.4000 -10.3932 -10.3932 -3.4763 -3.4763 2.2931 2.2931 2.6080 2.6080 3.3926 3.3926 6.1162 6.1162 7.1549 7.1549 8.6549 8.6549 8.7458 8.7458 k = 0.6000-0.0577 0.4491 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0886 -20.0886 -20.0864 -20.0864 -20.0794 -20.0794 -20.0779 -20.0779 -10.6597 -10.6597 -10.4000 -10.4000 -10.3933 -10.3933 -3.4759 -3.4759 2.2973 2.2973 2.6115 2.6115 3.3716 3.3716 6.1535 6.1535 7.1566 7.1566 8.5980 8.5980 8.6584 8.6584 k = 0.5917-0.0529 0.4627 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0864 -20.0864 -20.0793 -20.0793 -20.0780 -20.0780 -10.6597 -10.6597 -10.3999 -10.3999 -10.3934 -10.3934 -3.4754 -3.4754 2.3031 2.3031 2.6162 2.6162 3.3437 3.3437 6.2043 6.2043 7.1589 7.1589 8.5143 8.5143 8.5868 8.5868 k = 0.5833-0.0481 0.4763 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0865 -20.0865 -20.0793 -20.0793 -20.0780 -20.0780 -10.6597 -10.6597 -10.3998 -10.3998 -10.3935 -10.3935 -3.4748 -3.4748 2.3105 2.3105 2.6221 2.6221 3.3098 3.3098 6.2675 6.2675 7.1616 7.1616 8.4151 8.4151 8.5257 8.5257 k = 0.5750-0.0433 0.4899 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0885 -20.0885 -20.0865 -20.0865 -20.0792 -20.0792 -20.0780 -20.0780 -10.6597 -10.6597 -10.3997 -10.3997 -10.3936 -10.3936 -3.4741 -3.4741 2.3194 2.3194 2.6289 2.6289 3.2716 3.2716 6.3418 6.3418 7.1648 7.1648 8.3115 8.3115 8.4673 8.4673 k = 0.5667-0.0385 0.5035 ( 7236 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0884 -20.0884 -20.0866 -20.0866 -20.0792 -20.0792 -20.0780 -20.0780 -10.6597 -10.6597 -10.3996 -10.3996 -10.3938 -10.3938 -3.4733 -3.4733 2.3297 2.3297 2.6363 2.6363 3.2303 3.2303 6.4256 6.4256 7.1682 7.1682 8.2066 8.2066 8.4105 8.4105 k = 0.5583-0.0337 0.5171 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0883 -20.0883 -20.0866 -20.0866 -20.0791 -20.0791 -20.0781 -20.0781 -10.6597 -10.6597 -10.3995 -10.3995 -10.3939 -10.3939 -3.4725 -3.4725 2.3411 2.3411 2.6440 2.6440 3.1876 3.1876 6.5175 6.5175 7.1719 7.1719 8.1016 8.1016 8.3557 8.3557 k = 0.5500-0.0289 0.5307 ( 7231 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2609 -20.2609 -20.0883 -20.0883 -20.0867 -20.0867 -20.0791 -20.0791 -20.0781 -20.0781 -10.6597 -10.6597 -10.3994 -10.3994 -10.3941 -10.3941 -3.4716 -3.4716 2.3536 2.3536 2.6515 2.6515 3.1452 3.1452 6.6156 6.6156 7.1760 7.1760 7.9971 7.9971 8.3039 8.3039 k = 0.5417-0.0241 0.5443 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2610 -20.2610 -20.0882 -20.0882 -20.0868 -20.0868 -20.0790 -20.0790 -20.0782 -20.0782 -10.6597 -10.6597 -10.3993 -10.3993 -10.3943 -10.3943 -3.4708 -3.4708 2.3668 2.3668 2.6580 2.6580 3.1049 3.1049 6.7174 6.7174 7.1812 7.1812 7.8935 7.8935 8.2560 8.2560 k = 0.5333-0.0192 0.5579 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2611 -20.2611 -20.0882 -20.0882 -20.0869 -20.0869 -20.0789 -20.0789 -20.0782 -20.0782 -10.6598 -10.6598 -10.3992 -10.3992 -10.3945 -10.3945 -3.4700 -3.4700 2.3801 2.3801 2.6629 2.6629 3.0686 3.0686 6.8194 6.8194 7.1892 7.1892 7.7912 7.7912 8.2130 8.2130 k = 0.5250-0.0144 0.5715 ( 7235 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2611 -20.2611 -20.0881 -20.0881 -20.0869 -20.0869 -20.0789 -20.0789 -20.0783 -20.0783 -10.6598 -10.6598 -10.3990 -10.3990 -10.3946 -10.3946 -3.4693 -3.4693 2.3930 2.3930 2.6654 2.6654 3.0385 3.0385 6.9144 6.9144 7.2049 7.2049 7.6905 7.6905 8.1763 8.1763 k = 0.5167-0.0096 0.5852 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2612 -20.2612 -20.0881 -20.0881 -20.0870 -20.0870 -20.0788 -20.0788 -20.0784 -20.0784 -10.6598 -10.6598 -10.3990 -10.3990 -10.3947 -10.3947 -3.4688 -3.4688 2.4042 2.4042 2.6654 2.6654 3.0162 3.0162 6.9894 6.9894 7.2390 7.2390 7.5918 7.5918 8.1474 8.1474 k = 0.5083-0.0048 0.5988 ( 7237 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0787 -20.0787 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4684 -3.4684 2.4123 2.4123 2.6637 2.6637 3.0029 3.0029 7.0305 7.0305 7.3013 7.3013 7.4969 7.4969 8.1282 8.1282 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0786 -20.0786 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4683 -3.4683 2.4154 2.4154 2.6625 2.6625 2.9987 2.9987 7.0413 7.0413 7.3623 7.3623 7.4287 7.4287 8.1211 8.1211 k = 0.5000 0.0000 0.6124 ( 7228 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0786 -20.0786 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4683 -3.4683 2.4154 2.4154 2.6625 2.6625 2.9987 2.9987 7.0413 7.0413 7.3623 7.3623 7.4287 7.4287 8.1211 8.1211 k = 0.5000 0.0100 0.5983 ( 7240 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0786 -20.0786 -20.0785 -20.0785 -10.6598 -10.6598 -10.3989 -10.3989 -10.3948 -10.3948 -3.4684 -3.4684 2.4135 2.4135 2.6598 2.6598 3.0050 3.0050 7.0363 7.0363 7.3639 7.3639 7.4333 7.4333 8.1246 8.1246 k = 0.5000 0.0199 0.5842 ( 7240 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0880 -20.0880 -20.0871 -20.0871 -20.0787 -20.0787 -20.0786 -20.0786 -10.6598 -10.6598 -10.3990 -10.3990 -10.3947 -10.3947 -3.4689 -3.4689 2.4071 2.4071 2.6535 2.6535 3.0228 3.0228 7.0230 7.0230 7.3619 7.3619 7.4522 7.4522 8.1348 8.1348 k = 0.5000 0.0299 0.5701 ( 7232 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0879 -20.0879 -20.0870 -20.0870 -20.0787 -20.0787 -20.0786 -20.0786 -10.6597 -10.6597 -10.3990 -10.3990 -10.3946 -10.3946 -3.4697 -3.4697 2.3953 2.3953 2.6473 2.6473 3.0493 3.0493 7.0053 7.0053 7.3493 7.3493 7.4892 7.4892 8.1513 8.1513 k = 0.5000 0.0398 0.5561 ( 7234 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0879 -20.0879 -20.0870 -20.0870 -20.0787 -20.0787 -20.0786 -20.0786 -10.6597 -10.6597 -10.3991 -10.3991 -10.3944 -10.3944 -3.4707 -3.4707 2.3771 2.3771 2.6449 2.6449 3.0817 3.0817 6.9868 6.9868 7.3272 7.3272 7.5401 7.5401 8.1731 8.1731 k = 0.5000 0.0498 0.5420 ( 7228 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2612 -20.2612 -20.0878 -20.0878 -20.0869 -20.0869 -20.0788 -20.0788 -20.0787 -20.0787 -10.6597 -10.6597 -10.3993 -10.3993 -10.3941 -10.3941 -3.4720 -3.4720 2.3524 2.3524 2.6488 2.6488 3.1176 3.1176 6.9700 6.9700 7.2979 7.2979 7.6008 7.6008 8.1992 8.1992 k = 0.5000 0.0597 0.5279 ( 7234 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0877 -20.0877 -20.0869 -20.0869 -20.0788 -20.0788 -20.0787 -20.0787 -10.6596 -10.6596 -10.3994 -10.3994 -10.3939 -10.3939 -3.4736 -3.4736 2.3220 2.3220 2.6596 2.6596 3.1553 3.1553 6.9566 6.9566 7.2629 7.2629 7.6686 7.6686 8.2288 8.2288 k = 0.5000 0.0697 0.5138 ( 7238 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0877 -20.0877 -20.0868 -20.0868 -20.0789 -20.0789 -20.0788 -20.0788 -10.6596 -10.6596 -10.3995 -10.3995 -10.3936 -10.3936 -3.4754 -3.4754 2.2875 2.2875 2.6768 2.6768 3.1936 3.1936 6.9477 6.9477 7.2230 7.2230 7.7420 7.7420 8.2609 8.2609 k = 0.5000 0.0796 0.4998 ( 7250 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0876 -20.0876 -20.0867 -20.0867 -20.0791 -20.0791 -20.0790 -20.0790 -10.6595 -10.6595 -10.3997 -10.3997 -10.3933 -10.3933 -3.4774 -3.4774 2.2502 2.2502 2.6998 2.6998 3.2317 3.2317 6.9439 6.9439 7.1788 7.1788 7.8200 7.8200 8.2946 8.2946 k = 0.5000 0.0896 0.4857 ( 7256 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2618 -20.2618 -20.2613 -20.2613 -20.0875 -20.0875 -20.0866 -20.0866 -20.0792 -20.0792 -20.0791 -20.0791 -10.6594 -10.6594 -10.3998 -10.3998 -10.3929 -10.3929 -3.4797 -3.4797 2.2114 2.2114 2.7278 2.7278 3.2690 3.2690 6.9456 6.9456 7.1308 7.1308 7.9018 7.9018 8.3288 8.3288 k = 0.5000 0.0995 0.4716 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2618 -20.2618 -20.2612 -20.2612 -20.0873 -20.0873 -20.0865 -20.0865 -20.0793 -20.0793 -20.0792 -20.0792 -10.6594 -10.6594 -10.4000 -10.4000 -10.3926 -10.3926 -3.4821 -3.4821 2.1720 2.1720 2.7601 2.7601 3.3050 3.3050 6.9526 6.9526 7.0797 7.0797 7.9868 7.9868 8.3622 8.3622 k = 0.5000 0.1095 0.4575 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0872 -20.0872 -20.0864 -20.0864 -20.0794 -20.0794 -20.0793 -20.0793 -10.6593 -10.6593 -10.4002 -10.4002 -10.3922 -10.3922 -3.4846 -3.4846 2.1326 2.1326 2.7963 2.7963 3.3394 3.3394 6.9618 6.9618 7.0289 7.0289 8.0744 8.0744 8.3929 8.3929 k = 0.5000 0.1195 0.4434 ( 7248 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0871 -20.0871 -20.0863 -20.0863 -20.0796 -20.0796 -20.0795 -20.0795 -10.6592 -10.6592 -10.4003 -10.4003 -10.3918 -10.3918 -3.4872 -3.4872 2.0938 2.0938 2.8358 2.8358 3.3721 3.3721 6.9456 6.9456 7.0062 7.0062 8.1638 8.1638 8.4174 8.4174 k = 0.5000 0.1294 0.4294 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0869 -20.0869 -20.0861 -20.0861 -20.0797 -20.0797 -20.0796 -20.0796 -10.6591 -10.6591 -10.4005 -10.4005 -10.3914 -10.3914 -3.4899 -3.4899 2.0559 2.0559 2.8782 2.8782 3.4028 3.4028 6.8896 6.8896 7.0261 7.0261 8.2545 8.2545 8.4291 8.4291 k = 0.5000 0.1394 0.4153 ( 7240 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0867 -20.0867 -20.0860 -20.0860 -20.0799 -20.0799 -20.0797 -20.0797 -10.6591 -10.6591 -10.4007 -10.4007 -10.3910 -10.3910 -3.4926 -3.4926 2.0194 2.0194 2.9229 2.9229 3.4316 3.4316 6.8243 6.8243 7.0584 7.0584 8.3455 8.3455 8.4191 8.4191 k = 0.5000 0.1493 0.4012 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0865 -20.0865 -20.0858 -20.0858 -20.0801 -20.0801 -20.0799 -20.0799 -10.6590 -10.6590 -10.4008 -10.4008 -10.3906 -10.3906 -3.4954 -3.4954 1.9843 1.9843 2.9695 2.9695 3.4585 3.4585 6.7547 6.7547 7.0981 7.0981 8.3842 8.3842 8.4360 8.4360 k = 0.5000 0.1593 0.3871 ( 7248 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0864 -20.0864 -20.0857 -20.0857 -20.0802 -20.0802 -20.0801 -20.0801 -10.6589 -10.6589 -10.4010 -10.4010 -10.3902 -10.3902 -3.4981 -3.4981 1.9511 1.9511 3.0174 3.0174 3.4837 3.4837 6.6821 6.6821 7.1442 7.1442 8.3333 8.3333 8.5242 8.5242 k = 0.5000 0.1692 0.3731 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0862 -20.0862 -20.0855 -20.0855 -20.0804 -20.0804 -20.0803 -20.0803 -10.6588 -10.6588 -10.4011 -10.4011 -10.3898 -10.3898 -3.5007 -3.5007 1.9197 1.9197 3.0660 3.0660 3.5073 3.5073 6.6074 6.6074 7.1963 7.1963 8.2769 8.2769 8.6081 8.6081 k = 0.5000 0.1792 0.3590 ( 7236 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0859 -20.0859 -20.0853 -20.0853 -20.0806 -20.0806 -20.0805 -20.0805 -10.6587 -10.6587 -10.4013 -10.4013 -10.3895 -10.3895 -3.5033 -3.5033 1.8904 1.8904 3.1144 3.1144 3.5296 3.5296 6.5313 6.5313 7.2538 7.2538 8.2211 8.2211 8.6838 8.6838 k = 0.5000 0.1891 0.3449 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0857 -20.0857 -20.0851 -20.0851 -20.0808 -20.0808 -20.0807 -20.0807 -10.6587 -10.6587 -10.4014 -10.4014 -10.3891 -10.3891 -3.5057 -3.5057 1.8633 1.8633 3.1620 3.1620 3.5510 3.5510 6.4550 6.4550 7.3163 7.3163 8.1687 8.1687 8.7458 8.7458 k = 0.5000 0.1991 0.3308 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0855 -20.0855 -20.0849 -20.0849 -20.0811 -20.0811 -20.0809 -20.0809 -10.6586 -10.6586 -10.4015 -10.4015 -10.3888 -10.3888 -3.5081 -3.5081 1.8385 1.8385 3.2076 3.2076 3.5716 3.5716 6.3795 6.3795 7.3833 7.3833 8.1210 8.1210 8.7920 8.7920 k = 0.5000 0.2090 0.3167 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2611 -20.2611 -20.0853 -20.0853 -20.0847 -20.0847 -20.0813 -20.0813 -20.0811 -20.0811 -10.6586 -10.6586 -10.4016 -10.4016 -10.3885 -10.3885 -3.5102 -3.5102 1.8160 1.8160 3.2504 3.2504 3.5920 3.5920 6.3061 6.3061 7.4539 7.4539 8.0786 8.0786 8.8271 8.8271 k = 0.5000 0.2190 0.3027 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2615 -20.2615 -20.2611 -20.2611 -20.0850 -20.0850 -20.0845 -20.0845 -20.0815 -20.0815 -20.0813 -20.0813 -10.6585 -10.6585 -10.4017 -10.4017 -10.3882 -10.3882 -3.5121 -3.5121 1.7961 1.7961 3.2894 3.2894 3.6123 3.6123 6.2363 6.2363 7.5274 7.5274 8.0415 8.0415 8.8556 8.8556 k = 0.5000 0.2289 0.2886 ( 7236 PWs) bands (ev): -48.2101 -48.2101 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0848 -20.0848 -20.0843 -20.0843 -20.0818 -20.0818 -20.0815 -20.0815 -10.6585 -10.6585 -10.4018 -10.4018 -10.3879 -10.3879 -3.5139 -3.5139 1.7786 1.7786 3.3235 3.3235 3.6325 3.6325 6.1714 6.1714 7.6024 7.6024 8.0098 8.0098 8.8783 8.8783 k = 0.5000 0.2389 0.2745 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0846 -20.0846 -20.0841 -20.0841 -20.0820 -20.0820 -20.0818 -20.0818 -10.6584 -10.6584 -10.4019 -10.4019 -10.3877 -10.3877 -3.5154 -3.5154 1.7638 1.7638 3.3523 3.3523 3.6522 3.6522 6.1130 6.1130 7.6774 7.6774 7.9834 7.9834 8.8898 8.8898 k = 0.5000 0.2489 0.2604 ( 7240 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0843 -20.0843 -20.0839 -20.0839 -20.0822 -20.0822 -20.0820 -20.0820 -10.6584 -10.6584 -10.4020 -10.4020 -10.3875 -10.3875 -3.5166 -3.5166 1.7516 1.7516 3.3755 3.3755 3.6707 3.6707 6.0626 6.0626 7.7500 7.7500 7.9620 7.9620 8.8554 8.8554 k = 0.5000 0.2588 0.2464 ( 7238 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0841 -20.0841 -20.0836 -20.0836 -20.0825 -20.0825 -20.0822 -20.0822 -10.6584 -10.6584 -10.4020 -10.4020 -10.3874 -10.3874 -3.5176 -3.5176 1.7421 1.7421 3.3931 3.3931 3.6870 3.6870 6.0216 6.0216 7.8168 7.8168 7.9456 7.9456 8.7945 8.7946 k = 0.5000 0.2688 0.2323 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0838 -20.0838 -20.0834 -20.0834 -20.0827 -20.0827 -20.0824 -20.0824 -10.6583 -10.6583 -10.4021 -10.4021 -10.3873 -10.3873 -3.5183 -3.5183 1.7352 1.7352 3.4053 3.4053 3.6997 3.6997 5.9913 5.9913 7.8726 7.8726 7.9340 7.9340 8.7393 8.7393 k = 0.5000 0.2787 0.2182 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0836 -20.0836 -20.0832 -20.0832 -20.0829 -20.0829 -20.0826 -20.0826 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5187 -3.5187 1.7311 1.7311 3.4124 3.4124 3.7079 3.7079 5.9727 5.9727 7.9106 7.9106 7.9273 7.9273 8.7006 8.7006 k = 0.5000 0.2887 0.2041 ( 7270 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2616 -20.2616 -20.2612 -20.2612 -20.0836 -20.0836 -20.0832 -20.0832 -20.0831 -20.0831 -20.0828 -20.0828 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5189 -3.5189 1.7298 1.7298 3.4148 3.4148 3.7107 3.7107 5.9664 5.9664 7.9222 7.9222 7.9271 7.9271 8.6866 8.6866 k = 0.5000 0.2887 0.2041 ( 7270 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2616 -20.2616 -20.2612 -20.2612 -20.0836 -20.0836 -20.0832 -20.0832 -20.0831 -20.0831 -20.0828 -20.0828 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5189 -3.5189 1.7298 1.7298 3.4148 3.4148 3.7107 3.7107 5.9664 5.9664 7.9222 7.9222 7.9271 7.9271 8.6866 8.6866 k = 0.4950 0.2858 0.2205 ( 7250 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0836 -20.0836 -20.0832 -20.0832 -20.0830 -20.0830 -20.0827 -20.0827 -10.6583 -10.6583 -10.4021 -10.4021 -10.3872 -10.3872 -3.5187 -3.5187 1.7311 1.7311 3.4124 3.4124 3.7079 3.7079 5.9727 5.9727 7.9104 7.9104 7.9273 7.9273 8.7007 8.7007 k = 0.4900 0.2829 0.2368 ( 7248 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0838 -20.0838 -20.0834 -20.0834 -20.0827 -20.0827 -20.0824 -20.0824 -10.6583 -10.6583 -10.4021 -10.4021 -10.3873 -10.3873 -3.5183 -3.5183 1.7353 1.7353 3.4052 3.4052 3.6996 3.6996 5.9915 5.9915 7.8722 7.8722 7.9340 7.9340 8.7397 8.7397 k = 0.4850 0.2800 0.2531 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0841 -20.0841 -20.0836 -20.0836 -20.0825 -20.0825 -20.0822 -20.0822 -10.6584 -10.6584 -10.4020 -10.4020 -10.3874 -10.3874 -3.5176 -3.5176 1.7422 1.7422 3.3928 3.3928 3.6868 3.6868 6.0221 6.0221 7.8162 7.8162 7.9455 7.9455 8.7952 8.7952 k = 0.4800 0.2771 0.2694 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0843 -20.0843 -20.0839 -20.0839 -20.0823 -20.0823 -20.0820 -20.0820 -10.6584 -10.6584 -10.4020 -10.4020 -10.3875 -10.3875 -3.5166 -3.5166 1.7518 1.7518 3.3751 3.3751 3.6705 3.6705 6.0634 6.0634 7.7495 7.7495 7.9617 7.9617 8.8552 8.8552 k = 0.4750 0.2742 0.2858 ( 7243 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0846 -20.0846 -20.0841 -20.0841 -20.0820 -20.0820 -20.0818 -20.0818 -10.6584 -10.6584 -10.4019 -10.4019 -10.3877 -10.3877 -3.5153 -3.5153 1.7641 1.7641 3.3515 3.3515 3.6521 3.6521 6.1138 6.1138 7.6778 7.6778 7.9823 7.9823 8.8810 8.8810 k = 0.4700 0.2714 0.3021 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9490 -26.9490 -20.2615 -20.2615 -20.2611 -20.2611 -20.0848 -20.0848 -20.0843 -20.0843 -20.0818 -20.0818 -20.0815 -20.0815 -10.6585 -10.6585 -10.4018 -10.4018 -10.3879 -10.3879 -3.5138 -3.5138 1.7791 1.7791 3.3220 3.3220 3.6329 3.6329 6.1717 6.1717 7.6050 7.6050 8.0073 8.0073 8.8583 8.8583 k = 0.4650 0.2685 0.3184 ( 7247 PWs) bands (ev): -48.2102 -48.2102 -48.2102 -48.2102 -26.9489 -26.9489 -20.2616 -20.2616 -20.2611 -20.2611 -20.0851 -20.0851 -20.0845 -20.0845 -20.0815 -20.0815 -20.0813 -20.0813 -10.6585 -10.6585 -10.4017 -10.4017 -10.3882 -10.3882 -3.5121 -3.5121 1.7967 1.7967 3.2867 3.2867 3.6138 3.6138 6.2348 6.2348 7.5346 7.5346 8.0366 8.0366 8.8192 8.8192 k = 0.4600 0.2656 0.3348 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2611 -20.2611 -20.0853 -20.0853 -20.0847 -20.0847 -20.0813 -20.0813 -20.0811 -20.0811 -10.6586 -10.6586 -10.4016 -10.4016 -10.3885 -10.3885 -3.5101 -3.5101 1.8168 1.8168 3.2460 3.2460 3.5955 3.5955 6.3003 6.3003 7.4698 7.4698 8.0700 8.0700 8.7677 8.7677 k = 0.4550 0.2627 0.3511 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0855 -20.0855 -20.0849 -20.0849 -20.0811 -20.0811 -20.0809 -20.0809 -10.6586 -10.6586 -10.4015 -10.4015 -10.3888 -10.3888 -3.5080 -3.5080 1.8394 1.8394 3.2009 3.2009 3.5783 3.5783 6.3647 6.3647 7.4139 7.4139 8.1074 8.1074 8.7049 8.7049 k = 0.4500 0.2598 0.3674 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0858 -20.0858 -20.0851 -20.0851 -20.0808 -20.0808 -20.0807 -20.0807 -10.6587 -10.6587 -10.4014 -10.4014 -10.3891 -10.3891 -3.5057 -3.5057 1.8645 1.8645 3.1520 3.1520 3.5621 3.5621 6.4235 6.4235 7.3714 7.3714 8.1487 8.1487 8.6322 8.6322 k = 0.4450 0.2569 0.3838 ( 7244 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2616 -20.2616 -20.2612 -20.2612 -20.0860 -20.0860 -20.0853 -20.0853 -20.0806 -20.0806 -20.0805 -20.0805 -10.6588 -10.6588 -10.4013 -10.4013 -10.3895 -10.3895 -3.5032 -3.5032 1.8918 1.8918 3.1006 3.1006 3.5469 3.5469 6.4713 6.4713 7.3472 7.3472 8.1936 8.1936 8.5513 8.5513 k = 0.4400 0.2540 0.4001 ( 7247 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0862 -20.0862 -20.0855 -20.0855 -20.0804 -20.0804 -20.0803 -20.0803 -10.6588 -10.6588 -10.4011 -10.4011 -10.3898 -10.3898 -3.5007 -3.5007 1.9213 1.9213 3.0474 3.0474 3.5325 3.5325 6.5027 6.5027 7.3463 7.3463 8.2420 8.2420 8.4645 8.4645 k = 0.4350 0.2511 0.4164 ( 7245 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2612 -20.2612 -20.0864 -20.0864 -20.0856 -20.0856 -20.0803 -20.0803 -20.0801 -20.0801 -10.6589 -10.6589 -10.4010 -10.4010 -10.3902 -10.3902 -3.4980 -3.4980 1.9529 1.9529 2.9932 2.9932 3.5189 3.5189 6.5144 6.5144 7.3712 7.3712 8.2934 8.2934 8.3740 8.3740 k = 0.4300 0.2483 0.4327 ( 7246 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2617 -20.2617 -20.2611 -20.2611 -20.0866 -20.0866 -20.0857 -20.0857 -20.0801 -20.0801 -20.0799 -20.0799 -10.6590 -10.6590 -10.4009 -10.4009 -10.3906 -10.3906 -3.4954 -3.4954 1.9864 1.9864 2.9389 2.9389 3.5059 3.5059 6.5070 6.5070 7.4203 7.4203 8.2810 8.2810 8.3489 8.3489 k = 0.4250 0.2454 0.4491 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2611 -20.2611 -20.0868 -20.0868 -20.0859 -20.0859 -20.0800 -20.0800 -20.0797 -20.0797 -10.6591 -10.6591 -10.4007 -10.4007 -10.3909 -10.3909 -3.4927 -3.4927 2.0216 2.0216 2.8851 2.8851 3.4936 3.4936 6.4842 6.4842 7.4880 7.4880 8.1904 8.1904 8.4061 8.4061 k = 0.4200 0.2425 0.4654 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2618 -20.2618 -20.2611 -20.2611 -20.0870 -20.0870 -20.0860 -20.0860 -20.0798 -20.0798 -20.0795 -20.0795 -10.6591 -10.6591 -10.4006 -10.4006 -10.3913 -10.3913 -3.4901 -3.4901 2.0582 2.0582 2.8325 2.8325 3.4818 3.4818 6.4507 6.4507 7.5652 7.5652 8.1057 8.1057 8.4661 8.4661 k = 0.4150 0.2396 0.4817 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2611 -20.2611 -20.0872 -20.0872 -20.0861 -20.0861 -20.0797 -20.0797 -20.0793 -20.0793 -10.6592 -10.6592 -10.4005 -10.4005 -10.3917 -10.3917 -3.4876 -3.4876 2.0959 2.0959 2.7816 2.7816 3.4707 3.4707 6.4107 6.4107 7.6370 7.6370 8.0387 8.0387 8.5283 8.5283 k = 0.4100 0.2367 0.4981 ( 7239 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2619 -20.2619 -20.2610 -20.2610 -20.0874 -20.0874 -20.0862 -20.0862 -20.0796 -20.0796 -20.0791 -20.0791 -10.6593 -10.6593 -10.4003 -10.4003 -10.3920 -10.3920 -3.4853 -3.4853 2.1341 2.1341 2.7334 2.7334 3.4603 3.4603 6.3672 6.3672 7.6735 7.6735 8.0162 8.0162 8.5926 8.5926 k = 0.4050 0.2338 0.5144 ( 7238 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2620 -20.2620 -20.2610 -20.2610 -20.0876 -20.0876 -20.0863 -20.0863 -20.0795 -20.0795 -20.0789 -20.0789 -10.6594 -10.6594 -10.4002 -10.4002 -10.3923 -10.3923 -3.4831 -3.4831 2.1722 2.1722 2.6886 2.6886 3.4505 3.4505 6.3225 6.3225 7.6490 7.6490 8.0620 8.0620 8.6585 8.6585 k = 0.4000 0.2309 0.5307 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2610 -20.2610 -20.0878 -20.0878 -20.0863 -20.0863 -20.0795 -20.0795 -20.0787 -20.0787 -10.6594 -10.6594 -10.4002 -10.4002 -10.3925 -10.3925 -3.4812 -3.4812 2.2091 2.2091 2.6485 2.6485 3.4415 3.4415 6.2781 6.2781 7.5833 7.5833 8.1545 8.1545 8.7257 8.7257 k = 0.3950 0.2281 0.5471 ( 7233 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2621 -20.2621 -20.2609 -20.2609 -20.0879 -20.0879 -20.0863 -20.0863 -20.0794 -20.0794 -20.0785 -20.0785 -10.6595 -10.6595 -10.4001 -10.4001 -10.3927 -10.3927 -3.4795 -3.4795 2.2428 2.2428 2.6150 2.6150 3.4333 3.4333 6.2349 6.2349 7.5017 7.5017 8.2672 8.2672 8.7935 8.7935 k = 0.3900 0.2252 0.5634 ( 7235 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2622 -20.2622 -20.2608 -20.2608 -20.0881 -20.0881 -20.0864 -20.0864 -20.0794 -20.0794 -20.0784 -20.0784 -10.6595 -10.6595 -10.4001 -10.4001 -10.3929 -10.3929 -3.4782 -3.4782 2.2707 2.2707 2.5910 2.5910 3.4260 3.4260 6.1936 6.1936 7.4148 7.4148 8.3877 8.3877 8.8572 8.8572 k = 0.3850 0.2223 0.5797 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2623 -20.2623 -20.2608 -20.2608 -20.0883 -20.0883 -20.0864 -20.0864 -20.0794 -20.0794 -20.0782 -20.0782 -10.6596 -10.6596 -10.4001 -10.4001 -10.3930 -10.3930 -3.4772 -3.4772 2.2891 2.2891 2.5801 2.5801 3.4196 3.4196 6.1548 6.1548 7.3267 7.3267 8.5092 8.5092 8.8568 8.8568 k = 0.3800 0.2194 0.5960 ( 7238 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2607 -20.2607 -20.0885 -20.0885 -20.0864 -20.0864 -20.0794 -20.0794 -20.0780 -20.0780 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4767 -3.4767 2.2952 2.2952 2.5851 2.5851 3.4142 3.4142 6.1188 6.1188 7.2393 7.2393 8.6224 8.6224 8.8509 8.8509 k = 0.3750 0.2165 0.6124 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.6250-0.0722 0.4082 ( 7218 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2624 -20.2624 -20.2606 -20.2606 -20.0886 -20.0886 -20.0863 -20.0863 -20.0793 -20.0793 -20.0778 -20.0778 -10.6596 -10.6596 -10.4001 -10.4001 -10.3931 -10.3931 -3.4766 -3.4766 2.2898 2.2898 2.6051 2.6051 3.4099 3.4099 6.0858 6.0858 7.1535 7.1535 8.7025 8.7025 8.8766 8.8766 k = 0.6167-0.0866 0.4082 ( 7242 PWs) bands (ev): -48.2102 -48.2102 -48.2101 -48.2101 -26.9489 -26.9489 -20.2626 -20.2626 -20.2605 -20.2605 -20.0888 -20.0888 -20.0863 -20.0863 -20.0794 -20.0794 -20.0777 -20.0777 -10.6597 -10.6597 -10.4001 -10.4001 -10.3931 -10.3931 -3.4771 -3.4771 2.2716 2.2716 2.6528 2.6528 3.4042 3.4042 6.0347 6.0347 7.0129 7.0129 8.7865 8.7865 8.9666 8.9666 k = 0.6083-0.1010 0.4082 ( 7228 PWs) bands (ev): -48.2102 -48.2102 -48.2100 -48.2100 -26.9489 -26.9489 -20.2627 -20.2627 -20.2604 -20.2604 -20.0890 -20.0890 -20.0862 -20.0862 -20.0794 -20.0794 -20.0774 -20.0774 -10.6597 -10.6597 -10.4002 -10.4002 -10.3931 -10.3931 -3.4779 -3.4779 2.2520 2.2520 2.7058 2.7058 3.3995 3.3995 5.9862 5.9862 6.8741 6.8741 8.8707 8.8707 9.0542 9.0542 k = 0.6000-0.1155 0.4082 ( 7222 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2628 -20.2628 -20.2603 -20.2603 -20.0892 -20.0892 -20.0862 -20.0862 -20.0794 -20.0794 -20.0772 -20.0772 -10.6597 -10.6597 -10.4003 -10.4003 -10.3930 -10.3930 -3.4790 -3.4790 2.2323 2.2323 2.7622 2.7622 3.3960 3.3960 5.9402 5.9402 6.7384 6.7384 8.9544 8.9544 9.1311 9.1311 k = 0.5917-0.1299 0.4082 ( 7226 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2630 -20.2630 -20.2601 -20.2601 -20.0894 -20.0894 -20.0861 -20.0861 -20.0795 -20.0795 -20.0770 -20.0770 -10.6597 -10.6597 -10.4004 -10.4004 -10.3929 -10.3929 -3.4803 -3.4803 2.2132 2.2132 2.8205 2.8205 3.3936 3.3936 5.8967 5.8967 6.6070 6.6070 9.0367 9.0367 9.1739 9.1739 k = 0.5833-0.1443 0.4082 ( 7228 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2631 -20.2631 -20.2600 -20.2600 -20.0896 -20.0896 -20.0861 -20.0861 -20.0795 -20.0795 -20.0768 -20.0768 -10.6597 -10.6597 -10.4005 -10.4005 -10.3928 -10.3928 -3.4817 -3.4817 2.1951 2.1951 2.8795 2.8795 3.3928 3.3928 5.8557 5.8557 6.4812 6.4812 9.1165 9.1165 9.1991 9.1991 k = 0.5750-0.1588 0.4082 ( 7222 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2632 -20.2632 -20.2599 -20.2599 -20.0898 -20.0898 -20.0860 -20.0860 -20.0796 -20.0796 -20.0766 -20.0766 -10.6597 -10.6597 -10.4006 -10.4006 -10.3927 -10.3927 -3.4831 -3.4831 2.1784 2.1784 2.9377 2.9377 3.3937 3.3937 5.8168 5.8168 6.3622 6.3622 9.1894 9.1894 9.2246 9.2246 k = 0.5667-0.1732 0.4082 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2633 -20.2633 -20.2598 -20.2598 -20.0899 -20.0899 -20.0860 -20.0860 -20.0796 -20.0796 -20.0765 -20.0765 -10.6597 -10.6597 -10.4007 -10.4007 -10.3925 -10.3925 -3.4846 -3.4846 2.1632 2.1632 2.9938 2.9938 3.3967 3.3967 5.7797 5.7797 6.2517 6.2517 9.2295 9.2295 9.2778 9.2778 k = 0.5583-0.1876 0.4082 ( 7210 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2634 -20.2634 -20.2597 -20.2597 -20.0901 -20.0901 -20.0859 -20.0859 -20.0796 -20.0796 -20.0763 -20.0763 -10.6597 -10.6597 -10.4008 -10.4008 -10.3924 -10.3924 -3.4860 -3.4860 2.1496 2.1496 3.0460 3.0460 3.4023 3.4023 5.7439 5.7439 6.1514 6.1514 9.2491 9.2491 9.3458 9.3458 k = 0.5500-0.2021 0.4082 ( 7210 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2634 -20.2634 -20.2597 -20.2597 -20.0902 -20.0902 -20.0859 -20.0859 -20.0796 -20.0796 -20.0762 -20.0762 -10.6597 -10.6597 -10.4009 -10.4009 -10.3923 -10.3923 -3.4874 -3.4874 2.1376 2.1376 3.0925 3.0925 3.4108 3.4108 5.7090 5.7090 6.0632 6.0632 9.2652 9.2652 9.4106 9.4106 k = 0.5417-0.2165 0.4082 ( 7220 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2635 -20.2635 -20.2597 -20.2597 -20.0903 -20.0903 -20.0859 -20.0859 -20.0797 -20.0797 -20.0761 -20.0761 -10.6597 -10.6597 -10.4009 -10.4009 -10.3922 -10.3922 -3.4886 -3.4886 2.1275 2.1275 3.1318 3.1318 3.4223 3.4223 5.6746 5.6746 5.9892 5.9892 9.2790 9.2790 9.4694 9.4694 k = 0.5333-0.2309 0.4082 ( 7200 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2635 -20.2635 -20.2596 -20.2596 -20.0903 -20.0903 -20.0858 -20.0858 -20.0796 -20.0796 -20.0760 -20.0760 -10.6597 -10.6597 -10.4010 -10.4010 -10.3921 -10.3921 -3.4896 -3.4896 2.1191 2.1191 3.1628 3.1628 3.4363 3.4363 5.6412 5.6412 5.9304 5.9304 9.2907 9.2907 9.5206 9.5206 k = 0.5250-0.2454 0.4082 ( 7204 PWs) bands (ev): -48.2103 -48.2103 -48.2099 -48.2099 -26.9489 -26.9489 -20.2636 -20.2636 -20.2596 -20.2596 -20.0904 -20.0904 -20.0858 -20.0858 -20.0796 -20.0796 -20.0759 -20.0759 -10.6597 -10.6597 -10.4011 -10.4011 -10.3920 -10.3920 -3.4905 -3.4905 2.1126 2.1126 3.1855 3.1855 3.4510 3.4510 5.6105 5.6105 5.8870 5.8870 9.3000 9.3000 9.5626 9.5626 k = 0.5167-0.2598 0.4082 ( 7200 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2636 -20.2636 -20.2595 -20.2595 -20.0904 -20.0904 -20.0858 -20.0858 -20.0797 -20.0797 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4911 -3.4911 2.1079 2.1079 3.2005 3.2005 3.4641 3.4641 5.5854 5.5854 5.8577 5.8577 9.3068 9.3068 9.5941 9.5941 k = 0.5083-0.2742 0.4082 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0905 -20.0905 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4914 -3.4914 2.1051 2.1051 3.2090 3.2090 3.4731 3.4731 5.5688 5.5688 5.8410 5.8410 9.3110 9.3110 9.6136 9.6136 k = 0.5000-0.2887 0.4082 ( 7216 PWs) bands (ev): -48.2103 -48.2103 -48.2100 -48.2100 -26.9489 -26.9489 -20.2637 -20.2637 -20.2595 -20.2595 -20.0906 -20.0906 -20.0857 -20.0857 -20.0798 -20.0798 -20.0758 -20.0758 -10.6597 -10.6597 -10.4011 -10.4011 -10.3919 -10.3919 -3.4916 -3.4916 2.1041 2.1041 3.2117 3.2117 3.4764 3.4764 5.5630 5.5630 5.8356 5.8356 9.3124 9.3124 9.6202 9.6202 Writing output data file KNa2Sb.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 134.09s CPU 135.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 134.08s CPU 135.71s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 276 calls) cegterg : 122.37s CPU 123.56s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 84.42s CPU 85.40s WALL ( 6394 calls) s_psi : 3.29s CPU 3.31s WALL ( 6394 calls) g_psi : 0.31s CPU 0.25s WALL ( 5742 calls) cdiaghg : 29.79s CPU 30.27s WALL ( 6018 calls) cegterg:over : 4.57s CPU 4.63s WALL ( 5742 calls) cegterg:upda : 4.95s CPU 4.97s WALL ( 5742 calls) cegterg:last : 2.16s CPU 2.19s WALL ( 928 calls) cdiaghg:chol : 1.82s CPU 1.77s WALL ( 6018 calls) cdiaghg:inve : 0.88s CPU 0.94s WALL ( 6018 calls) cdiaghg:para : 1.74s CPU 1.73s WALL ( 12036 calls) Called by h_psi: h_psi:vloc : 78.10s CPU 79.02s WALL ( 6394 calls) h_psi:vnl : 6.10s CPU 6.15s WALL ( 6394 calls) add_vuspsi : 3.08s CPU 3.06s WALL ( 6394 calls) General routines calbec : 3.00s CPU 3.07s WALL ( 6394 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.71s CPU 74.89s WALL ( 484256 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 552 calls) Parallel routines fft_scatter : 23.47s CPU 24.06s WALL ( 484279 calls) PWSCF : 2m29.60s CPU 2m42.34s WALL This run was terminated on: 19:40:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=