Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:29: 6 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: ./KAlO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 67 39 11 2211 974 146 Max 68 40 12 2216 991 149 Sum 2431 1417 409 79663 35341 5329 bravais-lattice index = 14 lattice parameter (alat) = 10.4666 a.u. unit-cell volume = 810.7823 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.466619 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 1.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0121951 -0.0070409 0.0099573), wk = 0.0036496 k( 3) = ( 0.0243902 -0.0140817 0.0199145), wk = 0.0036496 k( 4) = ( 0.0365854 -0.0211226 0.0298718), wk = 0.0036496 k( 5) = ( 0.0487805 -0.0281634 0.0398291), wk = 0.0036496 k( 6) = ( 0.0609756 -0.0352043 0.0497864), wk = 0.0036496 k( 7) = ( 0.0731707 -0.0422451 0.0597437), wk = 0.0036496 k( 8) = ( 0.0853658 -0.0492860 0.0697009), wk = 0.0036496 k( 9) = ( 0.0975610 -0.0563269 0.0796582), wk = 0.0036496 k( 10) = ( 0.1097561 -0.0633677 0.0896155), wk = 0.0036496 k( 11) = ( 0.1219512 -0.0704086 0.0995728), wk = 0.0036496 k( 12) = ( 0.1341463 -0.0774494 0.1095300), wk = 0.0036496 k( 13) = ( 0.1463415 -0.0844903 0.1194873), wk = 0.0036496 k( 14) = ( 0.1585366 -0.0915311 0.1294446), wk = 0.0036496 k( 15) = ( 0.1707317 -0.0985720 0.1394019), wk = 0.0036496 k( 16) = ( 0.1829268 -0.1056129 0.1493591), wk = 0.0036496 k( 17) = ( 0.1951219 -0.1126537 0.1593164), wk = 0.0036496 k( 18) = ( 0.2073171 -0.1196946 0.1692737), wk = 0.0036496 k( 19) = ( 0.2195122 -0.1267354 0.1792310), wk = 0.0036496 k( 20) = ( 0.2317073 -0.1337763 0.1891882), wk = 0.0036496 k( 21) = ( 0.2439024 -0.1408171 0.1991455), wk = 0.0036496 k( 22) = ( 0.2560976 -0.1478580 0.2091028), wk = 0.0036496 k( 23) = ( 0.2682927 -0.1548989 0.2190601), wk = 0.0036496 k( 24) = ( 0.2804878 -0.1619397 0.2290173), wk = 0.0036496 k( 25) = ( 0.2926829 -0.1689806 0.2389746), wk = 0.0036496 k( 26) = ( 0.3048781 -0.1760214 0.2489319), wk = 0.0036496 k( 27) = ( 0.3170732 -0.1830623 0.2588892), wk = 0.0036496 k( 28) = ( 0.3292683 -0.1901031 0.2688464), wk = 0.0036496 k( 29) = ( 0.3414634 -0.1971440 0.2788037), wk = 0.0036496 k( 30) = ( 0.3536585 -0.2041849 0.2887610), wk = 0.0036496 k( 31) = ( 0.3658537 -0.2112257 0.2987183), wk = 0.0036496 k( 32) = ( 0.3780488 -0.2182666 0.3086755), wk = 0.0036496 k( 33) = ( 0.3902439 -0.2253074 0.3186328), wk = 0.0036496 k( 34) = ( 0.4024390 -0.2323483 0.3285901), wk = 0.0036496 k( 35) = ( 0.4146341 -0.2393891 0.3385474), wk = 0.0036496 k( 36) = ( 0.4268293 -0.2464300 0.3485046), wk = 0.0036496 k( 37) = ( 0.4390244 -0.2534708 0.3584619), wk = 0.0036496 k( 38) = ( 0.4512195 -0.2605117 0.3684192), wk = 0.0036496 k( 39) = ( 0.4634146 -0.2675526 0.3783765), wk = 0.0036496 k( 40) = ( 0.4756098 -0.2745934 0.3883337), wk = 0.0036496 k( 41) = ( 0.4878049 -0.2816343 0.3982910), wk = 0.0036496 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036496 k( 43) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036496 k( 44) = ( 0.5000000 -0.2749287 0.4179685), wk = 0.0036496 k( 45) = ( 0.5000000 -0.2611823 0.4276887), wk = 0.0036496 k( 46) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0036496 k( 47) = ( 0.5000000 -0.2336894 0.4471291), wk = 0.0036496 k( 48) = ( 0.5000000 -0.2199430 0.4568493), wk = 0.0036496 k( 49) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0036496 k( 50) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0036496 k( 51) = ( 0.5000000 -0.1787036 0.4860099), wk = 0.0036496 k( 52) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0036496 k( 53) = ( 0.5000000 -0.1512108 0.5054503), wk = 0.0036496 k( 54) = ( 0.5000000 -0.1374644 0.5151705), wk = 0.0036496 k( 55) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0036496 k( 56) = ( 0.5000000 -0.1099715 0.5346109), wk = 0.0036496 k( 57) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0036496 k( 58) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0036496 k( 59) = ( 0.5000000 -0.0687322 0.5637714), wk = 0.0036496 k( 60) = ( 0.5000000 -0.0549857 0.5734916), wk = 0.0036496 k( 61) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0036496 k( 62) = ( 0.5000000 -0.0274929 0.5929320), wk = 0.0036496 k( 63) = ( 0.5000000 -0.0137464 0.6026522), wk = 0.0036496 k( 64) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036496 k( 65) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036496 k( 66) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0036496 k( 67) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0036496 k( 68) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0036496 k( 69) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0036496 k( 70) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0036496 k( 71) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0036496 k( 72) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0036496 k( 73) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0036496 k( 74) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0036496 k( 75) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0036496 k( 76) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0036496 k( 77) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0036496 k( 78) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0036496 k( 79) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0036496 k( 80) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036496 k( 81) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036496 k( 82) = ( 0.3662791 0.2114713 0.5981312), wk = 0.0036496 k( 83) = ( 0.3575581 0.2064363 0.5838900), wk = 0.0036496 k( 84) = ( 0.3488372 0.2014013 0.5696488), wk = 0.0036496 k( 85) = ( 0.3401163 0.1963662 0.5554076), wk = 0.0036496 k( 86) = ( 0.3313953 0.1913312 0.5411663), wk = 0.0036496 k( 87) = ( 0.3226744 0.1862962 0.5269251), wk = 0.0036496 k( 88) = ( 0.3139535 0.1812611 0.5126839), wk = 0.0036496 k( 89) = ( 0.3052326 0.1762261 0.4984427), wk = 0.0036496 k( 90) = ( 0.2965116 0.1711911 0.4842015), wk = 0.0036496 k( 91) = ( 0.2877907 0.1661560 0.4699602), wk = 0.0036496 k( 92) = ( 0.2790698 0.1611210 0.4557190), wk = 0.0036496 k( 93) = ( 0.2703488 0.1560860 0.4414778), wk = 0.0036496 k( 94) = ( 0.2616279 0.1510509 0.4272366), wk = 0.0036496 k( 95) = ( 0.2529070 0.1460159 0.4129954), wk = 0.0036496 k( 96) = ( 0.2441860 0.1409809 0.3987541), wk = 0.0036496 k( 97) = ( 0.2354651 0.1359459 0.3845129), wk = 0.0036496 k( 98) = ( 0.2267442 0.1309108 0.3702717), wk = 0.0036496 k( 99) = ( 0.2180233 0.1258758 0.3560305), wk = 0.0036496 k( 100) = ( 0.2093023 0.1208408 0.3417893), wk = 0.0036496 k( 101) = ( 0.2005814 0.1158057 0.3275480), wk = 0.0036496 k( 102) = ( 0.1918605 0.1107707 0.3133068), wk = 0.0036496 k( 103) = ( 0.1831395 0.1057357 0.2990656), wk = 0.0036496 k( 104) = ( 0.1744186 0.1007006 0.2848244), wk = 0.0036496 k( 105) = ( 0.1656977 0.0956656 0.2705832), wk = 0.0036496 k( 106) = ( 0.1569767 0.0906306 0.2563420), wk = 0.0036496 k( 107) = ( 0.1482558 0.0855955 0.2421007), wk = 0.0036496 k( 108) = ( 0.1395349 0.0805605 0.2278595), wk = 0.0036496 k( 109) = ( 0.1308140 0.0755255 0.2136183), wk = 0.0036496 k( 110) = ( 0.1220930 0.0704904 0.1993771), wk = 0.0036496 k( 111) = ( 0.1133721 0.0654554 0.1851359), wk = 0.0036496 k( 112) = ( 0.1046512 0.0604204 0.1708946), wk = 0.0036496 k( 113) = ( 0.0959302 0.0553853 0.1566534), wk = 0.0036496 k( 114) = ( 0.0872093 0.0503503 0.1424122), wk = 0.0036496 k( 115) = ( 0.0784884 0.0453153 0.1281710), wk = 0.0036496 k( 116) = ( 0.0697674 0.0402803 0.1139298), wk = 0.0036496 k( 117) = ( 0.0610465 0.0352452 0.0996885), wk = 0.0036496 k( 118) = ( 0.0523256 0.0302102 0.0854473), wk = 0.0036496 k( 119) = ( 0.0436047 0.0251752 0.0712061), wk = 0.0036496 k( 120) = ( 0.0348837 0.0201401 0.0569649), wk = 0.0036496 k( 121) = ( 0.0261628 0.0151051 0.0427237), wk = 0.0036496 k( 122) = ( 0.0174419 0.0100701 0.0284824), wk = 0.0036496 k( 123) = ( 0.0087209 0.0050350 0.0142412), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 126) = ( 0.0142857 0.0082479 0.0058321), wk = 0.0036496 k( 127) = ( 0.0285714 0.0164957 0.0116642), wk = 0.0036496 k( 128) = ( 0.0428571 0.0247436 0.0174964), wk = 0.0036496 k( 129) = ( 0.0571429 0.0329914 0.0233285), wk = 0.0036496 k( 130) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0036496 k( 131) = ( 0.0857143 0.0494872 0.0349927), wk = 0.0036496 k( 132) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0036496 k( 133) = ( 0.1142857 0.0659829 0.0466569), wk = 0.0036496 k( 134) = ( 0.1285714 0.0742307 0.0524891), wk = 0.0036496 k( 135) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0036496 k( 136) = ( 0.1571429 0.0907265 0.0641533), wk = 0.0036496 k( 137) = ( 0.1714286 0.0989743 0.0699854), wk = 0.0036496 k( 138) = ( 0.1857143 0.1072222 0.0758175), wk = 0.0036496 k( 139) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0036496 k( 140) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0036496 k( 141) = ( 0.2285714 0.1319658 0.0933139), wk = 0.0036496 k( 142) = ( 0.2428571 0.1402136 0.0991460), wk = 0.0036496 k( 143) = ( 0.2571429 0.1484615 0.1049781), wk = 0.0036496 k( 144) = ( 0.2714286 0.1567094 0.1108102), wk = 0.0036496 k( 145) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0036496 k( 146) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0036496 k( 147) = ( 0.3142857 0.1814529 0.1283066), wk = 0.0036496 k( 148) = ( 0.3285714 0.1897008 0.1341387), wk = 0.0036496 k( 149) = ( 0.3428571 0.1979487 0.1399708), wk = 0.0036496 k( 150) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0036496 k( 151) = ( 0.3714286 0.2144444 0.1516351), wk = 0.0036496 k( 152) = ( 0.3857143 0.2226922 0.1574672), wk = 0.0036496 k( 153) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0036496 k( 154) = ( 0.4142857 0.2391880 0.1691314), wk = 0.0036496 k( 155) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0036496 k( 156) = ( 0.4428571 0.2556837 0.1807957), wk = 0.0036496 k( 157) = ( 0.4571429 0.2639316 0.1866278), wk = 0.0036496 k( 158) = ( 0.4714286 0.2721794 0.1924599), wk = 0.0036496 k( 159) = ( 0.4857143 0.2804273 0.1982920), wk = 0.0036496 k( 160) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036496 k( 161) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036496 k( 162) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0036496 k( 163) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0036496 k( 164) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0036496 k( 165) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0036496 k( 166) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0036496 k( 167) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0036496 k( 168) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0036496 k( 169) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0036496 k( 170) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0036496 k( 171) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0036496 k( 172) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0036496 k( 173) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0036496 k( 174) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0036496 k( 175) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0036496 k( 176) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0036496 k( 177) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0036496 k( 178) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0036496 k( 179) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0036496 k( 180) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0036496 k( 181) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0036496 k( 182) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0036496 k( 183) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0036496 k( 184) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0036496 k( 185) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0036496 k( 186) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036496 k( 187) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036496 k( 188) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0036496 k( 189) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0036496 k( 190) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0036496 k( 191) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0036496 k( 192) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0036496 k( 193) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0036496 k( 194) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0036496 k( 195) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0036496 k( 196) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0036496 k( 197) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0036496 k( 198) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0036496 k( 199) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0036496 k( 200) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0036496 k( 201) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0036496 k( 202) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036496 k( 203) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036496 k( 204) = ( 0.5000000 0.0099543 0.5982949), wk = 0.0036496 k( 205) = ( 0.5000000 0.0199086 0.5842174), wk = 0.0036496 k( 206) = ( 0.5000000 0.0298629 0.5701399), wk = 0.0036496 k( 207) = ( 0.5000000 0.0398173 0.5560623), wk = 0.0036496 k( 208) = ( 0.5000000 0.0497716 0.5419848), wk = 0.0036496 k( 209) = ( 0.5000000 0.0597259 0.5279073), wk = 0.0036496 k( 210) = ( 0.5000000 0.0696802 0.5138297), wk = 0.0036496 k( 211) = ( 0.5000000 0.0796345 0.4997522), wk = 0.0036496 k( 212) = ( 0.5000000 0.0895888 0.4856747), wk = 0.0036496 k( 213) = ( 0.5000000 0.0995432 0.4715972), wk = 0.0036496 k( 214) = ( 0.5000000 0.1094975 0.4575196), wk = 0.0036496 k( 215) = ( 0.5000000 0.1194518 0.4434421), wk = 0.0036496 k( 216) = ( 0.5000000 0.1294061 0.4293646), wk = 0.0036496 k( 217) = ( 0.5000000 0.1393604 0.4152870), wk = 0.0036496 k( 218) = ( 0.5000000 0.1493147 0.4012095), wk = 0.0036496 k( 219) = ( 0.5000000 0.1592690 0.3871320), wk = 0.0036496 k( 220) = ( 0.5000000 0.1692233 0.3730545), wk = 0.0036496 k( 221) = ( 0.5000000 0.1791777 0.3589770), wk = 0.0036496 k( 222) = ( 0.5000000 0.1891320 0.3448994), wk = 0.0036496 k( 223) = ( 0.5000000 0.1990863 0.3308219), wk = 0.0036496 k( 224) = ( 0.5000000 0.2090406 0.3167444), wk = 0.0036496 k( 225) = ( 0.5000000 0.2189949 0.3026668), wk = 0.0036496 k( 226) = ( 0.5000000 0.2289492 0.2885893), wk = 0.0036496 k( 227) = ( 0.5000000 0.2389036 0.2745118), wk = 0.0036496 k( 228) = ( 0.5000000 0.2488579 0.2604343), wk = 0.0036496 k( 229) = ( 0.5000000 0.2588122 0.2463567), wk = 0.0036496 k( 230) = ( 0.5000000 0.2687665 0.2322792), wk = 0.0036496 k( 231) = ( 0.5000000 0.2787208 0.2182017), wk = 0.0036496 k( 232) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036496 k( 233) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036496 k( 234) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0036496 k( 235) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0036496 k( 236) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0036496 k( 237) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0036496 k( 238) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0036496 k( 239) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0036496 k( 240) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0036496 k( 241) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0036496 k( 242) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0036496 k( 243) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0036496 k( 244) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0036496 k( 245) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0036496 k( 246) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0036496 k( 247) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0036496 k( 248) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0036496 k( 249) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0036496 k( 250) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0036496 k( 251) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0036496 k( 252) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0036496 k( 253) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0036496 k( 254) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0036496 k( 255) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0036496 k( 256) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0036496 k( 257) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0036496 k( 258) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036496 k( 259) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036496 k( 260) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0036496 k( 261) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0036496 k( 262) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0036496 k( 263) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0036496 k( 264) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0036496 k( 265) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0036496 k( 266) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0036496 k( 267) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0036496 k( 268) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0036496 k( 269) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0036496 k( 270) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0036496 k( 271) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0036496 k( 272) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0036496 k( 273) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0036496 k( 274) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0121951 -0.0000000 0.0121951), wk = 0.0036496 k( 3) = ( 0.0243902 -0.0000000 0.0243902), wk = 0.0036496 k( 4) = ( 0.0365854 -0.0000000 0.0365854), wk = 0.0036496 k( 5) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0036496 k( 6) = ( 0.0609756 -0.0000000 0.0609756), wk = 0.0036496 k( 7) = ( 0.0731707 -0.0000000 0.0731707), wk = 0.0036496 k( 8) = ( 0.0853658 -0.0000000 0.0853658), wk = 0.0036496 k( 9) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0036496 k( 10) = ( 0.1097561 0.0000000 0.1097561), wk = 0.0036496 k( 11) = ( 0.1219512 -0.0000000 0.1219512), wk = 0.0036496 k( 12) = ( 0.1341463 0.0000000 0.1341463), wk = 0.0036496 k( 13) = ( 0.1463415 -0.0000000 0.1463415), wk = 0.0036496 k( 14) = ( 0.1585366 -0.0000000 0.1585366), wk = 0.0036496 k( 15) = ( 0.1707317 -0.0000000 0.1707317), wk = 0.0036496 k( 16) = ( 0.1829268 -0.0000000 0.1829268), wk = 0.0036496 k( 17) = ( 0.1951219 0.0000000 0.1951220), wk = 0.0036496 k( 18) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0036496 k( 19) = ( 0.2195122 0.0000000 0.2195122), wk = 0.0036496 k( 20) = ( 0.2317073 -0.0000000 0.2317073), wk = 0.0036496 k( 21) = ( 0.2439024 -0.0000000 0.2439024), wk = 0.0036496 k( 22) = ( 0.2560976 0.0000000 0.2560976), wk = 0.0036496 k( 23) = ( 0.2682927 0.0000000 0.2682927), wk = 0.0036496 k( 24) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0036496 k( 25) = ( 0.2926829 0.0000000 0.2926829), wk = 0.0036496 k( 26) = ( 0.3048781 0.0000000 0.3048781), wk = 0.0036496 k( 27) = ( 0.3170732 0.0000000 0.3170732), wk = 0.0036496 k( 28) = ( 0.3292683 -0.0000000 0.3292683), wk = 0.0036496 k( 29) = ( 0.3414634 -0.0000000 0.3414634), wk = 0.0036496 k( 30) = ( 0.3536585 -0.0000000 0.3536585), wk = 0.0036496 k( 31) = ( 0.3658537 -0.0000000 0.3658537), wk = 0.0036496 k( 32) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0036496 k( 33) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0036496 k( 34) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0036496 k( 35) = ( 0.4146341 -0.0000000 0.4146341), wk = 0.0036496 k( 36) = ( 0.4268293 -0.0000000 0.4268293), wk = 0.0036496 k( 37) = ( 0.4390244 -0.0000000 0.4390244), wk = 0.0036496 k( 38) = ( 0.4512195 -0.0000000 0.4512195), wk = 0.0036496 k( 39) = ( 0.4634146 -0.0000000 0.4634146), wk = 0.0036496 k( 40) = ( 0.4756098 -0.0000000 0.4756098), wk = 0.0036496 k( 41) = ( 0.4878049 -0.0000000 0.4878049), wk = 0.0036496 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 43) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 44) = ( 0.5000000 0.0119048 0.5119048), wk = 0.0036496 k( 45) = ( 0.5000000 0.0238095 0.5238095), wk = 0.0036496 k( 46) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0036496 k( 47) = ( 0.5000000 0.0476190 0.5476191), wk = 0.0036496 k( 48) = ( 0.5000000 0.0595238 0.5595238), wk = 0.0036496 k( 49) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0036496 k( 50) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0036496 k( 51) = ( 0.5000000 0.0952381 0.5952381), wk = 0.0036496 k( 52) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0036496 k( 53) = ( 0.5000000 0.1190476 0.6190476), wk = 0.0036496 k( 54) = ( 0.5000000 0.1309524 0.6309524), wk = 0.0036496 k( 55) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0036496 k( 56) = ( 0.5000000 0.1547619 0.6547619), wk = 0.0036496 k( 57) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0036496 k( 58) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0036496 k( 59) = ( 0.5000000 0.1904762 0.6904762), wk = 0.0036496 k( 60) = ( 0.5000000 0.2023810 0.7023810), wk = 0.0036496 k( 61) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0036496 k( 62) = ( 0.5000000 0.2261905 0.7261905), wk = 0.0036496 k( 63) = ( 0.5000000 0.2380952 0.7380952), wk = 0.0036496 k( 64) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036496 k( 65) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036496 k( 66) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0036496 k( 67) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0036496 k( 68) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0036496 k( 69) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0036496 k( 70) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0036496 k( 71) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0036496 k( 72) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0036496 k( 73) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0036496 k( 74) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0036496 k( 75) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0036496 k( 76) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0036496 k( 77) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0036496 k( 78) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0036496 k( 79) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0036496 k( 80) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036496 k( 81) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036496 k( 82) = ( 0.3662791 0.3662791 0.7325581), wk = 0.0036496 k( 83) = ( 0.3575581 0.3575581 0.7151163), wk = 0.0036496 k( 84) = ( 0.3488372 0.3488372 0.6976744), wk = 0.0036496 k( 85) = ( 0.3401163 0.3401163 0.6802326), wk = 0.0036496 k( 86) = ( 0.3313953 0.3313953 0.6627907), wk = 0.0036496 k( 87) = ( 0.3226744 0.3226744 0.6453488), wk = 0.0036496 k( 88) = ( 0.3139535 0.3139535 0.6279070), wk = 0.0036496 k( 89) = ( 0.3052326 0.3052326 0.6104651), wk = 0.0036496 k( 90) = ( 0.2965116 0.2965116 0.5930233), wk = 0.0036496 k( 91) = ( 0.2877907 0.2877907 0.5755814), wk = 0.0036496 k( 92) = ( 0.2790698 0.2790698 0.5581395), wk = 0.0036496 k( 93) = ( 0.2703488 0.2703488 0.5406977), wk = 0.0036496 k( 94) = ( 0.2616279 0.2616279 0.5232558), wk = 0.0036496 k( 95) = ( 0.2529070 0.2529070 0.5058140), wk = 0.0036496 k( 96) = ( 0.2441860 0.2441860 0.4883721), wk = 0.0036496 k( 97) = ( 0.2354651 0.2354651 0.4709302), wk = 0.0036496 k( 98) = ( 0.2267442 0.2267442 0.4534884), wk = 0.0036496 k( 99) = ( 0.2180233 0.2180233 0.4360465), wk = 0.0036496 k( 100) = ( 0.2093023 0.2093023 0.4186047), wk = 0.0036496 k( 101) = ( 0.2005814 0.2005814 0.4011628), wk = 0.0036496 k( 102) = ( 0.1918605 0.1918605 0.3837209), wk = 0.0036496 k( 103) = ( 0.1831395 0.1831395 0.3662791), wk = 0.0036496 k( 104) = ( 0.1744186 0.1744186 0.3488372), wk = 0.0036496 k( 105) = ( 0.1656977 0.1656977 0.3313954), wk = 0.0036496 k( 106) = ( 0.1569767 0.1569767 0.3139535), wk = 0.0036496 k( 107) = ( 0.1482558 0.1482558 0.2965116), wk = 0.0036496 k( 108) = ( 0.1395349 0.1395349 0.2790698), wk = 0.0036496 k( 109) = ( 0.1308140 0.1308140 0.2616279), wk = 0.0036496 k( 110) = ( 0.1220930 0.1220930 0.2441861), wk = 0.0036496 k( 111) = ( 0.1133721 0.1133721 0.2267442), wk = 0.0036496 k( 112) = ( 0.1046512 0.1046512 0.2093023), wk = 0.0036496 k( 113) = ( 0.0959302 0.0959302 0.1918605), wk = 0.0036496 k( 114) = ( 0.0872093 0.0872093 0.1744186), wk = 0.0036496 k( 115) = ( 0.0784884 0.0784884 0.1569767), wk = 0.0036496 k( 116) = ( 0.0697674 0.0697674 0.1395349), wk = 0.0036496 k( 117) = ( 0.0610465 0.0610465 0.1220930), wk = 0.0036496 k( 118) = ( 0.0523256 0.0523256 0.1046512), wk = 0.0036496 k( 119) = ( 0.0436047 0.0436047 0.0872093), wk = 0.0036496 k( 120) = ( 0.0348837 0.0348837 0.0697674), wk = 0.0036496 k( 121) = ( 0.0261628 0.0261628 0.0523256), wk = 0.0036496 k( 122) = ( 0.0174419 0.0174419 0.0348837), wk = 0.0036496 k( 123) = ( 0.0087209 0.0087209 0.0174419), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 126) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0036496 k( 127) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0036496 k( 128) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0036496 k( 129) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0036496 k( 130) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036496 k( 131) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0036496 k( 132) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036496 k( 133) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0036496 k( 134) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0036496 k( 135) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036496 k( 136) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0036496 k( 137) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0036496 k( 138) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0036496 k( 139) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036496 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036496 k( 141) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0036496 k( 142) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0036496 k( 143) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0036496 k( 144) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0036496 k( 145) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036496 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036496 k( 147) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0036496 k( 148) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0036496 k( 149) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0036496 k( 150) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036496 k( 151) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0036496 k( 152) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0036496 k( 153) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036496 k( 154) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0036496 k( 155) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036496 k( 156) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0036496 k( 157) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0036496 k( 158) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0036496 k( 159) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0036496 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 162) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0036496 k( 163) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0036496 k( 164) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0036496 k( 165) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0036496 k( 166) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0036496 k( 167) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0036496 k( 168) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0036496 k( 169) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0036496 k( 170) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0036496 k( 171) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0036496 k( 172) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0036496 k( 173) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0036496 k( 174) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0036496 k( 175) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0036496 k( 176) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0036496 k( 177) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0036496 k( 178) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0036496 k( 179) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0036496 k( 180) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0036496 k( 181) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0036496 k( 182) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0036496 k( 183) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0036496 k( 184) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0036496 k( 185) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0036496 k( 186) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036496 k( 187) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036496 k( 188) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0036496 k( 189) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0036496 k( 190) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0036496 k( 191) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0036496 k( 192) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0036496 k( 193) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0036496 k( 194) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0036496 k( 195) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0036496 k( 196) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0036496 k( 197) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0036496 k( 198) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0036496 k( 199) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0036496 k( 200) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0036496 k( 201) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0036496 k( 202) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036496 k( 203) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036496 k( 204) = ( 0.5000000 0.2586207 0.7413793), wk = 0.0036496 k( 205) = ( 0.5000000 0.2672414 0.7327586), wk = 0.0036496 k( 206) = ( 0.5000000 0.2758621 0.7241379), wk = 0.0036496 k( 207) = ( 0.5000000 0.2844828 0.7155172), wk = 0.0036496 k( 208) = ( 0.5000000 0.2931034 0.7068966), wk = 0.0036496 k( 209) = ( 0.5000000 0.3017241 0.6982759), wk = 0.0036496 k( 210) = ( 0.5000000 0.3103448 0.6896552), wk = 0.0036496 k( 211) = ( 0.5000000 0.3189655 0.6810345), wk = 0.0036496 k( 212) = ( 0.5000000 0.3275862 0.6724138), wk = 0.0036496 k( 213) = ( 0.5000000 0.3362069 0.6637931), wk = 0.0036496 k( 214) = ( 0.5000000 0.3448276 0.6551724), wk = 0.0036496 k( 215) = ( 0.5000000 0.3534483 0.6465517), wk = 0.0036496 k( 216) = ( 0.5000000 0.3620690 0.6379310), wk = 0.0036496 k( 217) = ( 0.5000000 0.3706897 0.6293103), wk = 0.0036496 k( 218) = ( 0.5000000 0.3793103 0.6206897), wk = 0.0036496 k( 219) = ( 0.5000000 0.3879310 0.6120690), wk = 0.0036496 k( 220) = ( 0.5000000 0.3965517 0.6034483), wk = 0.0036496 k( 221) = ( 0.5000000 0.4051724 0.5948276), wk = 0.0036496 k( 222) = ( 0.5000000 0.4137931 0.5862069), wk = 0.0036496 k( 223) = ( 0.5000000 0.4224138 0.5775862), wk = 0.0036496 k( 224) = ( 0.5000000 0.4310345 0.5689655), wk = 0.0036496 k( 225) = ( 0.5000000 0.4396552 0.5603448), wk = 0.0036496 k( 226) = ( 0.5000000 0.4482759 0.5517241), wk = 0.0036496 k( 227) = ( 0.5000000 0.4568966 0.5431035), wk = 0.0036496 k( 228) = ( 0.5000000 0.4655172 0.5344828), wk = 0.0036496 k( 229) = ( 0.5000000 0.4741379 0.5258621), wk = 0.0036496 k( 230) = ( 0.5000000 0.4827586 0.5172414), wk = 0.0036496 k( 231) = ( 0.5000000 0.4913793 0.5086207), wk = 0.0036496 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 234) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0036496 k( 235) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0036496 k( 236) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0036496 k( 237) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0036496 k( 238) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0036496 k( 239) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0036496 k( 240) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0036496 k( 241) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0036496 k( 242) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0036496 k( 243) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0036496 k( 244) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0036496 k( 245) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0036496 k( 246) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0036496 k( 247) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0036496 k( 248) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0036496 k( 249) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0036496 k( 250) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0036496 k( 251) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0036496 k( 252) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0036496 k( 253) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0036496 k( 254) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0036496 k( 255) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0036496 k( 256) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0036496 k( 257) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0036496 k( 258) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036496 k( 259) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036496 k( 260) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0036496 k( 261) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0036496 k( 262) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0036496 k( 263) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0036496 k( 264) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0036496 k( 265) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0036496 k( 266) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0036496 k( 267) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0036496 k( 268) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0036496 k( 269) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0036496 k( 270) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0036496 k( 271) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0036496 k( 272) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0036496 k( 273) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0036496 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 Dense grid: 79663 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 35341 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 256, 58) NL pseudopotentials 0.38 Mb ( 128, 192) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2215) G-vector shells 0.00 Mb ( 517) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 256, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.34 Mb ( 192, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KAlO2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.6 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.4 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.3 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 14.3 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.2 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.2 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.1 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 22.1 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.0 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 26.0 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.9 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.9 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.8 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.7 secs Computing kpt #: 19 total cpu time spent up to now is 35.0 secs Computing kpt #: 20 total cpu time spent up to now is 36.5 secs Computing kpt #: 21 total cpu time spent up to now is 37.7 secs Computing kpt #: 22 total cpu time spent up to now is 38.8 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.7 secs Computing kpt #: 24 total cpu time spent up to now is 41.5 secs Computing kpt #: 25 total cpu time spent up to now is 42.4 secs Computing kpt #: 26 total cpu time spent up to now is 43.5 secs Computing kpt #: 27 total cpu time spent up to now is 44.6 secs Computing kpt #: 28 total cpu time spent up to now is 45.6 secs Computing kpt #: 29 total cpu time spent up to now is 46.6 secs Computing kpt #: 30 total cpu time spent up to now is 47.6 secs Computing kpt #: 31 total cpu time spent up to now is 48.5 secs Computing kpt #: 32 total cpu time spent up to now is 49.5 secs Computing kpt #: 33 total cpu time spent up to now is 50.4 secs Computing kpt #: 34 total cpu time spent up to now is 51.4 secs Computing kpt #: 35 total cpu time spent up to now is 52.6 secs Computing kpt #: 36 total cpu time spent up to now is 53.4 secs Computing kpt #: 37 total cpu time spent up to now is 54.3 secs Computing kpt #: 38 total cpu time spent up to now is 55.1 secs Computing kpt #: 39 total cpu time spent up to now is 56.0 secs Computing kpt #: 40 total cpu time spent up to now is 56.8 secs Computing kpt #: 41 total cpu time spent up to now is 57.6 secs Computing kpt #: 42 total cpu time spent up to now is 58.4 secs Computing kpt #: 43 total cpu time spent up to now is 59.1 secs Computing kpt #: 44 total cpu time spent up to now is 60.0 secs Computing kpt #: 45 total cpu time spent up to now is 60.8 secs Computing kpt #: 46 total cpu time spent up to now is 61.7 secs Computing kpt #: 47 total cpu time spent up to now is 62.5 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.3 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.2 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.0 secs Computing kpt #: 51 total cpu time spent up to now is 68.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.6 secs Computing kpt #: 54 total cpu time spent up to now is 74.0 secs Computing kpt #: 55 total cpu time spent up to now is 74.8 secs Computing kpt #: 56 total cpu time spent up to now is 75.6 secs Computing kpt #: 57 total cpu time spent up to now is 76.5 secs Computing kpt #: 58 total cpu time spent up to now is 77.4 secs Computing kpt #: 59 total cpu time spent up to now is 78.9 secs Computing kpt #: 60 total cpu time spent up to now is 79.7 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.6 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.4 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.2 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.1 secs Computing kpt #: 65 total cpu time spent up to now is 87.9 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 67 total cpu time spent up to now is 90.7 secs Computing kpt #: 68 total cpu time spent up to now is 91.7 secs Computing kpt #: 69 total cpu time spent up to now is 92.5 secs Computing kpt #: 70 total cpu time spent up to now is 93.4 secs Computing kpt #: 71 total cpu time spent up to now is 94.4 secs Computing kpt #: 72 total cpu time spent up to now is 95.3 secs Computing kpt #: 73 total cpu time spent up to now is 96.1 secs Computing kpt #: 74 total cpu time spent up to now is 97.0 secs Computing kpt #: 75 total cpu time spent up to now is 97.8 secs Computing kpt #: 76 total cpu time spent up to now is 98.6 secs Computing kpt #: 77 total cpu time spent up to now is 99.5 secs Computing kpt #: 78 total cpu time spent up to now is 100.2 secs Computing kpt #: 79 total cpu time spent up to now is 101.0 secs Computing kpt #: 80 total cpu time spent up to now is 101.9 secs Computing kpt #: 81 total cpu time spent up to now is 102.7 secs Computing kpt #: 82 total cpu time spent up to now is 103.4 secs Computing kpt #: 83 total cpu time spent up to now is 104.2 secs Computing kpt #: 84 total cpu time spent up to now is 105.0 secs Computing kpt #: 85 total cpu time spent up to now is 105.8 secs Computing kpt #: 86 total cpu time spent up to now is 106.6 secs Computing kpt #: 87 total cpu time spent up to now is 107.4 secs Computing kpt #: 88 total cpu time spent up to now is 108.1 secs Computing kpt #: 89 total cpu time spent up to now is 108.9 secs Computing kpt #: 90 total cpu time spent up to now is 109.7 secs Computing kpt #: 91 total cpu time spent up to now is 110.5 secs Computing kpt #: 92 total cpu time spent up to now is 111.2 secs Computing kpt #: 93 total cpu time spent up to now is 112.0 secs Computing kpt #: 94 total cpu time spent up to now is 112.8 secs Computing kpt #: 95 total cpu time spent up to now is 113.6 secs Computing kpt #: 96 total cpu time spent up to now is 114.4 secs Computing kpt #: 97 total cpu time spent up to now is 115.3 secs Computing kpt #: 98 total cpu time spent up to now is 116.1 secs Computing kpt #: 99 total cpu time spent up to now is 117.0 secs Computing kpt #: 100 total cpu time spent up to now is 117.8 secs Computing kpt #: 101 total cpu time spent up to now is 118.7 secs Computing kpt #: 102 total cpu time spent up to now is 119.6 secs Computing kpt #: 103 total cpu time spent up to now is 120.4 secs Computing kpt #: 104 total cpu time spent up to now is 121.1 secs Computing kpt #: 105 total cpu time spent up to now is 121.8 secs Computing kpt #: 106 total cpu time spent up to now is 122.5 secs Computing kpt #: 107 total cpu time spent up to now is 123.2 secs Computing kpt #: 108 total cpu time spent up to now is 124.3 secs Computing kpt #: 109 total cpu time spent up to now is 125.5 secs Computing kpt #: 110 total cpu time spent up to now is 127.3 secs Computing kpt #: 111 total cpu time spent up to now is 128.6 secs Computing kpt #: 112 total cpu time spent up to now is 130.4 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.3 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.1 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.9 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.8 secs Computing kpt #: 121 total cpu time spent up to now is 146.6 secs Computing kpt #: 122 total cpu time spent up to now is 147.4 secs Computing kpt #: 123 total cpu time spent up to now is 148.1 secs Computing kpt #: 124 total cpu time spent up to now is 148.9 secs Computing kpt #: 125 total cpu time spent up to now is 149.7 secs Computing kpt #: 126 total cpu time spent up to now is 150.4 secs Computing kpt #: 127 total cpu time spent up to now is 151.1 secs Computing kpt #: 128 total cpu time spent up to now is 152.0 secs Computing kpt #: 129 total cpu time spent up to now is 152.7 secs Computing kpt #: 130 total cpu time spent up to now is 153.5 secs Computing kpt #: 131 total cpu time spent up to now is 154.4 secs Computing kpt #: 132 total cpu time spent up to now is 155.2 secs Computing kpt #: 133 total cpu time spent up to now is 156.1 secs Computing kpt #: 134 total cpu time spent up to now is 156.9 secs Computing kpt #: 135 total cpu time spent up to now is 157.8 secs Computing kpt #: 136 total cpu time spent up to now is 158.7 secs Computing kpt #: 137 total cpu time spent up to now is 159.5 secs Computing kpt #: 138 total cpu time spent up to now is 160.2 secs Computing kpt #: 139 total cpu time spent up to now is 160.9 secs Computing kpt #: 140 total cpu time spent up to now is 161.6 secs Computing kpt #: 141 total cpu time spent up to now is 162.2 secs Computing kpt #: 142 total cpu time spent up to now is 162.9 secs Computing kpt #: 143 total cpu time spent up to now is 163.5 secs Computing kpt #: 144 total cpu time spent up to now is 164.2 secs Computing kpt #: 145 total cpu time spent up to now is 164.9 secs Computing kpt #: 146 total cpu time spent up to now is 165.6 secs Computing kpt #: 147 total cpu time spent up to now is 166.2 secs Computing kpt #: 148 total cpu time spent up to now is 167.0 secs Computing kpt #: 149 total cpu time spent up to now is 167.7 secs Computing kpt #: 150 total cpu time spent up to now is 168.5 secs Computing kpt #: 151 total cpu time spent up to now is 169.3 secs Computing kpt #: 152 total cpu time spent up to now is 170.2 secs Computing kpt #: 153 total cpu time spent up to now is 171.2 secs Computing kpt #: 154 total cpu time spent up to now is 172.2 secs Computing kpt #: 155 total cpu time spent up to now is 173.0 secs Computing kpt #: 156 total cpu time spent up to now is 173.8 secs Computing kpt #: 157 total cpu time spent up to now is 174.8 secs Computing kpt #: 158 total cpu time spent up to now is 175.9 secs Computing kpt #: 159 total cpu time spent up to now is 176.9 secs Computing kpt #: 160 total cpu time spent up to now is 177.6 secs Computing kpt #: 161 total cpu time spent up to now is 178.3 secs Computing kpt #: 162 total cpu time spent up to now is 179.2 secs Computing kpt #: 163 total cpu time spent up to now is 180.2 secs Computing kpt #: 164 total cpu time spent up to now is 181.3 secs Computing kpt #: 165 total cpu time spent up to now is 182.1 secs Computing kpt #: 166 total cpu time spent up to now is 183.0 secs Computing kpt #: 167 total cpu time spent up to now is 184.1 secs Computing kpt #: 168 total cpu time spent up to now is 185.0 secs Computing kpt #: 169 total cpu time spent up to now is 185.9 secs Computing kpt #: 170 total cpu time spent up to now is 186.7 secs Computing kpt #: 171 total cpu time spent up to now is 187.6 secs Computing kpt #: 172 total cpu time spent up to now is 188.4 secs Computing kpt #: 173 total cpu time spent up to now is 189.3 secs Computing kpt #: 174 total cpu time spent up to now is 190.1 secs Computing kpt #: 175 total cpu time spent up to now is 191.0 secs Computing kpt #: 176 total cpu time spent up to now is 191.8 secs Computing kpt #: 177 total cpu time spent up to now is 192.6 secs Computing kpt #: 178 total cpu time spent up to now is 193.4 secs Computing kpt #: 179 total cpu time spent up to now is 194.2 secs Computing kpt #: 180 total cpu time spent up to now is 195.1 secs Computing kpt #: 181 total cpu time spent up to now is 195.8 secs Computing kpt #: 182 total cpu time spent up to now is 196.6 secs Computing kpt #: 183 total cpu time spent up to now is 197.5 secs Computing kpt #: 184 total cpu time spent up to now is 198.3 secs Computing kpt #: 185 total cpu time spent up to now is 199.0 secs Computing kpt #: 186 total cpu time spent up to now is 199.9 secs Computing kpt #: 187 total cpu time spent up to now is 200.6 secs Computing kpt #: 188 total cpu time spent up to now is 201.4 secs Computing kpt #: 189 total cpu time spent up to now is 202.3 secs Computing kpt #: 190 total cpu time spent up to now is 203.1 secs Computing kpt #: 191 total cpu time spent up to now is 203.9 secs Computing kpt #: 192 total cpu time spent up to now is 204.7 secs Computing kpt #: 193 total cpu time spent up to now is 205.6 secs Computing kpt #: 194 total cpu time spent up to now is 206.4 secs Computing kpt #: 195 total cpu time spent up to now is 207.3 secs Computing kpt #: 196 total cpu time spent up to now is 208.1 secs Computing kpt #: 197 total cpu time spent up to now is 208.9 secs Computing kpt #: 198 total cpu time spent up to now is 209.8 secs Computing kpt #: 199 total cpu time spent up to now is 210.6 secs Computing kpt #: 200 total cpu time spent up to now is 211.5 secs Computing kpt #: 201 total cpu time spent up to now is 212.3 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.1 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.0 secs Computing kpt #: 204 total cpu time spent up to now is 216.8 secs Computing kpt #: 205 total cpu time spent up to now is 217.7 secs Computing kpt #: 206 total cpu time spent up to now is 218.5 secs Computing kpt #: 207 total cpu time spent up to now is 219.4 secs Computing kpt #: 208 total cpu time spent up to now is 220.3 secs Computing kpt #: 209 total cpu time spent up to now is 221.1 secs Computing kpt #: 210 total cpu time spent up to now is 222.1 secs Computing kpt #: 211 total cpu time spent up to now is 223.0 secs Computing kpt #: 212 total cpu time spent up to now is 223.9 secs Computing kpt #: 213 total cpu time spent up to now is 224.8 secs Computing kpt #: 214 total cpu time spent up to now is 225.6 secs Computing kpt #: 215 total cpu time spent up to now is 226.6 secs Computing kpt #: 216 total cpu time spent up to now is 227.5 secs Computing kpt #: 217 total cpu time spent up to now is 228.3 secs Computing kpt #: 218 total cpu time spent up to now is 229.1 secs Computing kpt #: 219 total cpu time spent up to now is 230.0 secs Computing kpt #: 220 total cpu time spent up to now is 230.8 secs Computing kpt #: 221 total cpu time spent up to now is 231.6 secs Computing kpt #: 222 total cpu time spent up to now is 232.4 secs Computing kpt #: 223 total cpu time spent up to now is 233.4 secs Computing kpt #: 224 total cpu time spent up to now is 234.3 secs Computing kpt #: 225 total cpu time spent up to now is 235.1 secs Computing kpt #: 226 total cpu time spent up to now is 236.0 secs Computing kpt #: 227 total cpu time spent up to now is 236.9 secs Computing kpt #: 228 total cpu time spent up to now is 237.9 secs Computing kpt #: 229 total cpu time spent up to now is 238.9 secs Computing kpt #: 230 total cpu time spent up to now is 240.0 secs Computing kpt #: 231 total cpu time spent up to now is 240.9 secs Computing kpt #: 232 total cpu time spent up to now is 241.6 secs Computing kpt #: 233 total cpu time spent up to now is 242.4 secs Computing kpt #: 234 total cpu time spent up to now is 243.5 secs Computing kpt #: 235 total cpu time spent up to now is 244.6 secs Computing kpt #: 236 total cpu time spent up to now is 245.6 secs Computing kpt #: 237 total cpu time spent up to now is 246.7 secs Computing kpt #: 238 total cpu time spent up to now is 247.8 secs Computing kpt #: 239 total cpu time spent up to now is 248.6 secs Computing kpt #: 240 total cpu time spent up to now is 249.4 secs Computing kpt #: 241 total cpu time spent up to now is 250.3 secs Computing kpt #: 242 total cpu time spent up to now is 251.3 secs Computing kpt #: 243 total cpu time spent up to now is 252.2 secs Computing kpt #: 244 total cpu time spent up to now is 253.2 secs Computing kpt #: 245 total cpu time spent up to now is 254.1 secs Computing kpt #: 246 total cpu time spent up to now is 255.0 secs Computing kpt #: 247 total cpu time spent up to now is 255.8 secs Computing kpt #: 248 total cpu time spent up to now is 256.6 secs Computing kpt #: 249 total cpu time spent up to now is 257.5 secs Computing kpt #: 250 total cpu time spent up to now is 258.4 secs Computing kpt #: 251 total cpu time spent up to now is 259.2 secs Computing kpt #: 252 total cpu time spent up to now is 260.1 secs Computing kpt #: 253 total cpu time spent up to now is 260.9 secs Computing kpt #: 254 total cpu time spent up to now is 261.7 secs Computing kpt #: 255 total cpu time spent up to now is 262.5 secs Computing kpt #: 256 total cpu time spent up to now is 263.3 secs Computing kpt #: 257 total cpu time spent up to now is 264.1 secs Computing kpt #: 258 total cpu time spent up to now is 265.0 secs Computing kpt #: 259 total cpu time spent up to now is 265.7 secs Computing kpt #: 260 total cpu time spent up to now is 266.6 secs Computing kpt #: 261 total cpu time spent up to now is 267.3 secs Computing kpt #: 262 total cpu time spent up to now is 268.2 secs Computing kpt #: 263 total cpu time spent up to now is 269.1 secs Computing kpt #: 264 total cpu time spent up to now is 269.9 secs Computing kpt #: 265 total cpu time spent up to now is 270.8 secs Computing kpt #: 266 total cpu time spent up to now is 271.8 secs Computing kpt #: 267 total cpu time spent up to now is 273.2 secs Computing kpt #: 268 total cpu time spent up to now is 274.5 secs Computing kpt #: 269 total cpu time spent up to now is 275.3 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.2 secs Computing kpt #: 271 total cpu time spent up to now is 278.5 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.3 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.2 secs Computing kpt #: 274 total cpu time spent up to now is 283.0 secs ethr = 2.08E-08, avg # of iterations = 46.6 total cpu time spent up to now is 283.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -24.8384 -24.8384 -24.7029 -24.7029 -12.7369 -12.7369 -11.4614 -11.4614 -11.4571 -11.4571 -11.4569 -11.4569 -8.5882 -8.5882 -8.3280 -8.3280 -8.3280 -8.3280 -8.3122 -8.3122 -8.0434 -8.0434 -8.0434 -8.0434 -1.6190 -1.6190 0.9820 0.9820 0.9879 0.9879 0.9880 0.9880 2.4875 2.4875 2.4875 2.4875 3.4088 3.4088 3.4428 3.4428 3.4429 3.4429 4.8055 4.8055 4.8230 4.8230 4.8232 4.8232 8.1133 8.1133 11.3503 11.3503 11.3613 11.3613 11.3613 11.3613 12.5356 12.5356 k = 0.0122-0.0070 0.0100 ( 4477 PWs) bands (ev): -24.8383 -24.8383 -24.7029 -24.7029 -12.7366 -12.7366 -11.4617 -11.4617 -11.4574 -11.4574 -11.4570 -11.4570 -8.5882 -8.5882 -8.3307 -8.3307 -8.3280 -8.3280 -8.3095 -8.3095 -8.0433 -8.0433 -8.0433 -8.0433 -1.6178 -1.6178 0.9822 0.9822 0.9878 0.9878 0.9887 0.9887 2.4877 2.4877 2.4882 2.4882 3.4079 3.4079 3.4414 3.4414 3.4424 3.4424 4.8045 4.8045 4.8220 4.8220 4.8222 4.8222 8.1166 8.1166 11.3504 11.3504 11.3608 11.3608 11.3628 11.3628 12.5360 12.5365 k = 0.0244-0.0141 0.0199 ( 4453 PWs) bands (ev): -24.8382 -24.8382 -24.7031 -24.7031 -12.7356 -12.7356 -11.4625 -11.4625 -11.4583 -11.4583 -11.4572 -11.4572 -8.5882 -8.5882 -8.3364 -8.3364 -8.3280 -8.3280 -8.3039 -8.3039 -8.0431 -8.0431 -8.0429 -8.0429 -1.6142 -1.6142 0.9819 0.9819 0.9885 0.9885 0.9909 0.9909 2.4883 2.4883 2.4904 2.4904 3.4049 3.4049 3.4374 3.4374 3.4412 3.4412 4.8016 4.8016 4.8190 4.8190 4.8192 4.8192 8.1265 8.1265 11.3480 11.3480 11.3621 11.3621 11.3671 11.3671 12.5377 12.5391 k = 0.0366-0.0211 0.0299 ( 4433 PWs) bands (ev): -24.8379 -24.8379 -24.7033 -24.7033 -12.7338 -12.7338 -11.4645 -11.4645 -11.4593 -11.4593 -11.4574 -11.4574 -8.5882 -8.5882 -8.3429 -8.3429 -8.3281 -8.3281 -8.2974 -8.2974 -8.0426 -8.0426 -8.0423 -8.0423 -1.6082 -1.6082 0.9795 0.9795 0.9915 0.9915 0.9947 0.9947 2.4892 2.4892 2.4941 2.4941 3.3994 3.3994 3.4314 3.4314 3.4392 3.4392 4.7966 4.7966 4.8140 4.8140 4.8143 4.8143 8.1428 8.1428 11.3403 11.3403 11.3680 11.3680 11.3743 11.3743 12.5390 12.5395 k = 0.0488-0.0282 0.0398 ( 4433 PWs) bands (ev): -24.8375 -24.8375 -24.7036 -24.7036 -12.7314 -12.7314 -11.4680 -11.4680 -11.4600 -11.4600 -11.4577 -11.4577 -8.5882 -8.5882 -8.3496 -8.3496 -8.3283 -8.3283 -8.2908 -8.2908 -8.0421 -8.0421 -8.0415 -8.0415 -1.5998 -1.5998 0.9754 0.9754 0.9964 0.9964 0.9999 0.9999 2.4905 2.4905 2.4991 2.4991 3.3902 3.3902 3.4244 3.4244 3.4363 3.4363 4.7897 4.7897 4.8070 4.8070 4.8075 4.8075 8.1656 8.1656 11.3283 11.3283 11.3775 11.3775 11.3843 11.3843 12.5417 12.5426 k = 0.0610-0.0352 0.0498 ( 4429 PWs) bands (ev): -24.8371 -24.8371 -24.7040 -24.7040 -12.7282 -12.7282 -11.4728 -11.4728 -11.4606 -11.4606 -11.4580 -11.4580 -8.5882 -8.5882 -8.3565 -8.3565 -8.3284 -8.3284 -8.2842 -8.2842 -8.0414 -8.0414 -8.0405 -8.0405 -1.5890 -1.5890 0.9699 0.9699 1.0030 1.0030 1.0066 1.0066 2.4920 2.4920 2.5057 2.5057 3.3766 3.3766 3.4175 3.4175 3.4325 3.4325 4.7809 4.7809 4.7980 4.7980 4.7988 4.7988 8.1947 8.1947 11.3128 11.3128 11.3899 11.3899 11.3968 11.3968 12.5452 12.5476 k = 0.0732-0.0422 0.0597 ( 4429 PWs) bands (ev): -24.8365 -24.8365 -24.7046 -24.7046 -12.7244 -12.7244 -11.4788 -11.4788 -11.4611 -11.4611 -11.4585 -11.4585 -8.5883 -8.5883 -8.3633 -8.3633 -8.3286 -8.3286 -8.2775 -8.2775 -8.0405 -8.0405 -8.0392 -8.0392 -1.5759 -1.5759 0.9630 0.9630 1.0112 1.0112 1.0147 1.0147 2.4939 2.4939 2.5136 2.5136 3.3586 3.3586 3.4107 3.4107 3.4279 3.4279 4.7703 4.7703 4.7871 4.7871 4.7885 4.7885 8.2298 8.2298 11.2942 11.2942 11.4049 11.4049 11.4119 11.4119 12.5497 12.5518 k = 0.0854-0.0493 0.0697 ( 4436 PWs) bands (ev): -24.8359 -24.8359 -24.7052 -24.7052 -12.7199 -12.7199 -11.4859 -11.4859 -11.4616 -11.4616 -11.4590 -11.4590 -8.5883 -8.5883 -8.3702 -8.3702 -8.3289 -8.3289 -8.2710 -8.2710 -8.0396 -8.0396 -8.0378 -8.0378 -1.5605 -1.5605 0.9549 0.9549 1.0208 1.0208 1.0243 1.0243 2.4959 2.4959 2.5230 2.5230 3.3366 3.3366 3.4038 3.4038 3.4224 3.4224 4.7579 4.7579 4.7744 4.7744 4.7765 4.7765 8.2708 8.2708 11.2728 11.2728 11.4222 11.4222 11.4293 11.4293 12.5541 12.5551 k = 0.0976-0.0563 0.0797 ( 4428 PWs) bands (ev): -24.8352 -24.8352 -24.7059 -24.7059 -12.7147 -12.7147 -11.4941 -11.4941 -11.4622 -11.4622 -11.4596 -11.4596 -8.5883 -8.5883 -8.3770 -8.3770 -8.3290 -8.3290 -8.2645 -8.2645 -8.0385 -8.0385 -8.0362 -8.0362 -1.5428 -1.5428 0.9456 0.9456 1.0319 1.0319 1.0353 1.0353 2.4982 2.4982 2.5338 2.5338 3.3112 3.3112 3.3966 3.3966 3.4160 3.4160 4.7437 4.7437 4.7600 4.7600 4.7629 4.7629 8.3174 8.3174 11.2490 11.2490 11.4416 11.4416 11.4488 11.4488 12.5598 12.5599 k = 0.1098-0.0634 0.0896 ( 4436 PWs) bands (ev): -24.8343 -24.8343 -24.7068 -24.7068 -12.7087 -12.7087 -11.5035 -11.5035 -11.4629 -11.4629 -11.4602 -11.4602 -8.5882 -8.5882 -8.3837 -8.3837 -8.3292 -8.3292 -8.2583 -8.2583 -8.0373 -8.0373 -8.0345 -8.0345 -1.5228 -1.5228 0.9351 0.9351 1.0444 1.0444 1.0476 1.0476 2.5006 2.5006 2.5461 2.5461 3.2828 3.2828 3.3887 3.3887 3.4087 3.4087 4.7279 4.7279 4.7440 4.7440 4.7480 4.7480 8.3693 8.3693 11.2230 11.2230 11.4629 11.4629 11.4701 11.4701 12.5665 12.5667 k = 0.1220-0.0704 0.0996 ( 4440 PWs) bands (ev): -24.8334 -24.8334 -24.7077 -24.7077 -12.7021 -12.7021 -11.5138 -11.5138 -11.4636 -11.4636 -11.4609 -11.4609 -8.5881 -8.5881 -8.3903 -8.3903 -8.3292 -8.3292 -8.2521 -8.2521 -8.0360 -8.0360 -8.0327 -8.0327 -1.5007 -1.5007 0.9235 0.9235 1.0583 1.0583 1.0614 1.0614 2.5030 2.5030 2.5597 2.5597 3.2517 3.2517 3.3800 3.3800 3.4003 3.4003 4.7103 4.7103 4.7266 4.7266 4.7318 4.7318 8.4264 8.4264 11.1952 11.1952 11.4858 11.4858 11.4929 11.4929 12.5735 12.5741 k = 0.1341-0.0774 0.1095 ( 4444 PWs) bands (ev): -24.8324 -24.8324 -24.7087 -24.7087 -12.6948 -12.6948 -11.5252 -11.5252 -11.4643 -11.4643 -11.4617 -11.4617 -8.5880 -8.5880 -8.3968 -8.3968 -8.3292 -8.3292 -8.2462 -8.2462 -8.0346 -8.0346 -8.0307 -8.0307 -1.4763 -1.4763 0.9108 0.9108 1.0735 1.0735 1.0765 1.0765 2.5054 2.5054 2.5747 2.5747 3.2183 3.2183 3.3704 3.3704 3.3910 3.3910 4.6910 4.6910 4.7082 4.7082 4.7145 4.7145 8.4882 8.4882 11.1661 11.1661 11.5098 11.5098 11.5170 11.5170 12.5818 12.5874 k = 0.1463-0.0845 0.1195 ( 4452 PWs) bands (ev): -24.8312 -24.8312 -24.7098 -24.7098 -12.6868 -12.6868 -11.5376 -11.5376 -11.4651 -11.4651 -11.4626 -11.4626 -8.5878 -8.5878 -8.4032 -8.4032 -8.3291 -8.3291 -8.2405 -8.2405 -8.0332 -8.0332 -8.0287 -8.0287 -1.4498 -1.4498 0.8969 0.8969 1.0901 1.0901 1.0928 1.0928 2.5077 2.5077 2.5911 2.5911 3.1829 3.1829 3.3600 3.3600 3.3806 3.3806 4.6698 4.6698 4.6888 4.6888 4.6963 4.6963 8.5545 8.5545 11.1360 11.1360 11.5347 11.5347 11.5419 11.5419 12.5906 12.5912 k = 0.1585-0.0915 0.1294 ( 4436 PWs) bands (ev): -24.8300 -24.8300 -24.7110 -24.7110 -12.6781 -12.6781 -11.5510 -11.5510 -11.4659 -11.4659 -11.4634 -11.4634 -8.5875 -8.5875 -8.4095 -8.4095 -8.3288 -8.3288 -8.2350 -8.2350 -8.0317 -8.0317 -8.0265 -8.0265 -1.4212 -1.4212 0.8819 0.8819 1.1079 1.1079 1.1105 1.1105 2.5098 2.5098 2.6089 2.6089 3.1458 3.1458 3.3486 3.3486 3.3692 3.3692 4.6467 4.6467 4.6689 4.6689 4.6773 4.6773 8.6250 8.6250 11.1053 11.1053 11.5599 11.5599 11.5672 11.5672 12.6003 12.6071 k = 0.1707-0.0986 0.1394 ( 4428 PWs) bands (ev): -24.8287 -24.8287 -24.7123 -24.7123 -12.6686 -12.6686 -11.5654 -11.5654 -11.4668 -11.4668 -11.4644 -11.4644 -8.5871 -8.5871 -8.4156 -8.4156 -8.3283 -8.3283 -8.2297 -8.2297 -8.0302 -8.0302 -8.0244 -8.0244 -1.3907 -1.3907 0.8658 0.8658 1.1269 1.1269 1.1293 1.1293 2.5118 2.5118 2.6280 2.6280 3.1074 3.1074 3.3361 3.3361 3.3567 3.3567 4.6218 4.6218 4.6487 4.6487 4.6577 4.6577 8.6994 8.6994 11.0745 11.0745 11.5852 11.5852 11.5925 11.5925 12.6159 12.6217 k = 0.1829-0.1056 0.1494 ( 4432 PWs) bands (ev): -24.8273 -24.8273 -24.7136 -24.7136 -12.6585 -12.6585 -11.5806 -11.5806 -11.4677 -11.4677 -11.4654 -11.4654 -8.5866 -8.5866 -8.4216 -8.4216 -8.3277 -8.3277 -8.2247 -8.2247 -8.0287 -8.0287 -8.0223 -8.0223 -1.3581 -1.3581 0.8486 0.8486 1.1471 1.1471 1.1493 1.1493 2.5134 2.5134 2.6484 2.6484 3.0678 3.0678 3.3226 3.3226 3.3431 3.3431 4.5951 4.5951 4.6281 4.6281 4.6377 4.6377 8.7774 8.7774 11.0439 11.0439 11.6099 11.6099 11.6172 11.6172 12.6168 12.6183 k = 0.1951-0.1127 0.1593 ( 4424 PWs) bands (ev): -24.8259 -24.8259 -24.7151 -24.7151 -12.6477 -12.6477 -11.5968 -11.5968 -11.4687 -11.4687 -11.4664 -11.4664 -8.5860 -8.5860 -8.4275 -8.4275 -8.3268 -8.3268 -8.2200 -8.2200 -8.0271 -8.0271 -8.0201 -8.0201 -1.3236 -1.3236 0.8303 0.8303 1.1684 1.1684 1.1704 1.1704 2.5147 2.5147 2.6701 2.6701 3.0275 3.0275 3.3080 3.3080 3.3283 3.3283 4.5667 4.5667 4.6075 4.6075 4.6174 4.6174 8.8587 8.8587 11.0139 11.0139 11.6337 11.6337 11.6410 11.6410 12.6052 12.6057 k = 0.2073-0.1197 0.1693 ( 4424 PWs) bands (ev): -24.8243 -24.8243 -24.7166 -24.7166 -12.6362 -12.6362 -11.6139 -11.6139 -11.4696 -11.4696 -11.4674 -11.4674 -8.5853 -8.5853 -8.4332 -8.4332 -8.3257 -8.3257 -8.2155 -8.2155 -8.0256 -8.0256 -8.0180 -8.0180 -1.2873 -1.2873 0.8109 0.8109 1.1908 1.1908 1.1926 1.1926 2.5155 2.5155 2.6932 2.6932 2.9867 2.9867 3.2923 3.2923 3.3124 3.3124 4.5367 4.5367 4.5869 4.5869 4.5969 4.5969 8.9430 8.9430 10.9850 10.9850 11.6559 11.6559 11.6633 11.6633 12.5883 12.5883 k = 0.2195-0.1267 0.1792 ( 4408 PWs) bands (ev): -24.8227 -24.8227 -24.7182 -24.7182 -12.6240 -12.6240 -11.6318 -11.6318 -11.4706 -11.4706 -11.4685 -11.4685 -8.5845 -8.5845 -8.4387 -8.4387 -8.3244 -8.3244 -8.2114 -8.2114 -8.0241 -8.0241 -8.0159 -8.0159 -1.2492 -1.2492 0.7904 0.7904 1.2142 1.2142 1.2157 1.2157 2.5159 2.5159 2.7175 2.7175 2.9457 2.9457 3.2756 3.2756 3.2954 3.2954 4.5052 4.5052 4.5665 4.5665 4.5765 4.5765 9.0299 9.0299 10.9575 10.9575 11.6762 11.6762 11.6837 11.6837 12.5659 12.5659 k = 0.2317-0.1338 0.1892 ( 4408 PWs) bands (ev): -24.8209 -24.8209 -24.7199 -24.7199 -12.6111 -12.6111 -11.6505 -11.6505 -11.4716 -11.4716 -11.4696 -11.4696 -8.5835 -8.5835 -8.4442 -8.4442 -8.3228 -8.3228 -8.2077 -8.2077 -8.0226 -8.0226 -8.0138 -8.0138 -1.2094 -1.2094 0.7686 0.7686 1.2385 1.2385 1.2398 1.2398 2.5156 2.5156 2.7430 2.7430 2.9048 2.9048 3.2577 3.2577 3.2772 3.2772 4.4724 4.4724 4.5463 4.5463 4.5563 4.5563 9.1193 9.1193 10.9317 10.9317 11.6942 11.6942 11.7017 11.7017 12.5383 12.5383 k = 0.2439-0.1408 0.1991 ( 4432 PWs) bands (ev): -24.8192 -24.8192 -24.7216 -24.7216 -12.5976 -12.5976 -11.6700 -11.6700 -11.4727 -11.4727 -11.4707 -11.4707 -8.5825 -8.5825 -8.4495 -8.4495 -8.3211 -8.3211 -8.2043 -8.2043 -8.0212 -8.0212 -8.0119 -8.0119 -1.1680 -1.1680 0.7457 0.7457 1.2636 1.2636 1.2646 1.2646 2.5148 2.5148 2.7697 2.7697 2.8642 2.8642 3.2388 3.2388 3.2579 3.2579 4.4382 4.4382 4.5266 4.5266 4.5365 4.5365 9.2108 9.2108 10.9079 10.9079 11.7094 11.7094 11.7169 11.7169 12.5058 12.5058 k = 0.2561-0.1479 0.2091 ( 4432 PWs) bands (ev): -24.8173 -24.8173 -24.7235 -24.7235 -12.5833 -12.5833 -11.6902 -11.6902 -11.4737 -11.4737 -11.4718 -11.4718 -8.5812 -8.5812 -8.4546 -8.4546 -8.3189 -8.3189 -8.2013 -8.2013 -8.0198 -8.0198 -8.0100 -8.0100 -1.1250 -1.1250 0.7215 0.7215 1.2894 1.2894 1.2902 1.2902 2.5134 2.5134 2.7977 2.7977 2.8242 2.8242 3.2189 3.2189 3.2375 3.2375 4.4028 4.4028 4.5073 4.5073 4.5171 4.5171 9.3041 9.3041 10.8866 10.8866 11.7218 11.7218 11.7293 11.7293 12.4689 12.4689 k = 0.2683-0.1549 0.2191 ( 4408 PWs) bands (ev): -24.8154 -24.8154 -24.7253 -24.7253 -12.5684 -12.5684 -11.7110 -11.7110 -11.4747 -11.4747 -11.4729 -11.4729 -8.5799 -8.5799 -8.4596 -8.4596 -8.3165 -8.3165 -8.1986 -8.1986 -8.0184 -8.0184 -8.0082 -8.0082 -1.0805 -1.0805 0.6960 0.6960 1.3159 1.3159 1.3165 1.3165 2.5113 2.5113 2.7851 2.7851 2.8268 2.8268 3.1980 3.1980 3.2161 3.2161 4.3662 4.3662 4.4888 4.4888 4.4982 4.4982 9.3991 9.3991 10.8680 10.8680 11.7313 11.7313 11.7387 11.7387 12.4283 12.4284 k = 0.2805-0.1619 0.2290 ( 4424 PWs) bands (ev): -24.8134 -24.8134 -24.7273 -24.7273 -12.5528 -12.5528 -11.7326 -11.7326 -11.4757 -11.4757 -11.4740 -11.4740 -8.5784 -8.5784 -8.4644 -8.4644 -8.3139 -8.3139 -8.1964 -8.1964 -8.0171 -8.0171 -8.0065 -8.0065 -1.0346 -1.0346 0.6690 0.6690 1.3430 1.3430 1.3433 1.3433 2.5086 2.5086 2.7471 2.7471 2.8571 2.8571 3.1762 3.1762 3.1938 3.1938 4.3286 4.3286 4.4709 4.4709 4.4801 4.4801 9.4954 9.4954 10.8522 10.8522 11.7379 11.7379 11.7452 11.7452 12.3770 12.3770 k = 0.2927-0.1690 0.2390 ( 4420 PWs) bands (ev): -24.8113 -24.8113 -24.7293 -24.7293 -12.5365 -12.5365 -11.7547 -11.7547 -11.4767 -11.4767 -11.4751 -11.4751 -8.5768 -8.5768 -8.4692 -8.4692 -8.3109 -8.3109 -8.1946 -8.1946 -8.0158 -8.0158 -8.0050 -8.0050 -0.9874 -0.9874 0.6407 0.6407 1.3704 1.3704 1.3706 1.3706 2.5052 2.5052 2.7105 2.7105 2.8884 2.8884 3.1536 3.1536 3.1706 3.1706 4.2899 4.2899 4.4538 4.4538 4.4627 4.4627 9.5927 9.5927 10.8396 10.8396 11.7417 11.7417 11.7489 11.7489 12.3052 12.3052 k = 0.3049-0.1760 0.2489 ( 4420 PWs) bands (ev): -24.8092 -24.8092 -24.7314 -24.7314 -12.5197 -12.5197 -11.7773 -11.7773 -11.4777 -11.4777 -11.4761 -11.4761 -8.5750 -8.5750 -8.4737 -8.4737 -8.3076 -8.3076 -8.1933 -8.1933 -8.0146 -8.0146 -8.0036 -8.0036 -0.9389 -0.9389 0.6109 0.6109 1.3981 1.3981 1.3983 1.3983 2.5011 2.5011 2.6755 2.6755 2.9209 2.9209 3.1303 3.1303 3.1467 3.1467 4.2504 4.2504 4.4377 4.4377 4.4461 4.4461 9.6909 9.6909 10.8304 10.8304 11.7432 11.7432 11.7501 11.7501 12.2333 12.2333 k = 0.3171-0.1831 0.2589 ( 4420 PWs) bands (ev): -24.8070 -24.8070 -24.7336 -24.7336 -12.5021 -12.5021 -11.8005 -11.8005 -11.4786 -11.4786 -11.4772 -11.4772 -8.5732 -8.5732 -8.4782 -8.4782 -8.3041 -8.3041 -8.1924 -8.1924 -8.0133 -8.0133 -8.0023 -8.0023 -0.8894 -0.8894 0.5795 0.5795 1.4258 1.4258 1.4262 1.4262 2.4964 2.4964 2.6422 2.6422 2.9543 2.9543 3.1065 3.1065 3.1222 3.1222 4.2100 4.2100 4.4224 4.4224 4.4305 4.4305 9.7896 9.7896 10.8247 10.8247 11.7426 11.7426 11.7492 11.7492 12.1613 12.1613 k = 0.3293-0.1901 0.2688 ( 4420 PWs) bands (ev): -24.8048 -24.8048 -24.7358 -24.7358 -12.4840 -12.4840 -11.8241 -11.8241 -11.4795 -11.4795 -11.4782 -11.4782 -8.5712 -8.5712 -8.4825 -8.4825 -8.3002 -8.3002 -8.1919 -8.1919 -8.0122 -8.0122 -8.0012 -8.0012 -0.8387 -0.8387 0.5466 0.5466 1.4535 1.4535 1.4541 1.4541 2.4911 2.4911 2.6109 2.6109 2.9888 2.9888 3.0823 3.0823 3.0973 3.0973 4.1688 4.1688 4.4082 4.4082 4.4158 4.4158 9.8887 9.8887 10.8226 10.8226 11.7403 11.7403 11.7466 11.7466 12.0896 12.0896 k = 0.3415-0.1971 0.2788 ( 4396 PWs) bands (ev): -24.8025 -24.8025 -24.7380 -24.7380 -12.4652 -12.4652 -11.8481 -11.8481 -11.4804 -11.4804 -11.4791 -11.4791 -8.5690 -8.5690 -8.4867 -8.4867 -8.2961 -8.2961 -8.1919 -8.1919 -8.0110 -8.0110 -8.0001 -8.0001 -0.7871 -0.7871 0.5120 0.5120 1.4811 1.4811 1.4818 1.4818 2.4854 2.4854 2.5817 2.5817 3.0242 3.0242 3.0580 3.0580 3.0722 3.0722 4.1270 4.1270 4.3949 4.3949 4.4021 4.4021 9.9878 9.9878 10.8242 10.8242 11.7367 11.7367 11.7426 11.7426 12.0181 12.0181 k = 0.3537-0.2042 0.2888 ( 4396 PWs) bands (ev): -24.8002 -24.8002 -24.7403 -24.7403 -12.4459 -12.4459 -11.8725 -11.8725 -11.4812 -11.4812 -11.4800 -11.4800 -8.5668 -8.5668 -8.4908 -8.4908 -8.2917 -8.2917 -8.1924 -8.1924 -8.0099 -8.0099 -7.9993 -7.9993 -0.7346 -0.7346 0.4757 0.4757 1.5082 1.5082 1.5092 1.5092 2.4791 2.4791 2.5547 2.5547 3.0334 3.0334 3.0470 3.0470 3.0608 3.0608 4.0845 4.0845 4.3827 4.3827 4.3894 4.3894 10.0869 10.0869 10.8297 10.8297 11.7320 11.7320 11.7376 11.7376 11.9472 11.9472 k = 0.3659-0.2112 0.2987 ( 4404 PWs) bands (ev): -24.7979 -24.7979 -24.7426 -24.7426 -12.4259 -12.4259 -11.8972 -11.8972 -11.4820 -11.4820 -11.4809 -11.4809 -8.5645 -8.5645 -8.4948 -8.4948 -8.2872 -8.2872 -8.1934 -8.1934 -8.0088 -8.0088 -7.9986 -7.9986 -0.6814 -0.6814 0.4378 0.4378 1.5348 1.5348 1.5359 1.5359 2.4725 2.4725 2.5301 2.5301 3.0094 3.0094 3.0220 3.0220 3.0980 3.0980 4.0415 4.0415 4.3715 4.3715 4.3777 4.3777 10.1855 10.1855 10.8390 10.8390 11.7268 11.7268 11.7320 11.7320 11.8768 11.8768 k = 0.3780-0.2183 0.3087 ( 4404 PWs) bands (ev): -24.7955 -24.7955 -24.7450 -24.7450 -12.4055 -12.4055 -11.9221 -11.9221 -11.4828 -11.4828 -11.4817 -11.4817 -8.5620 -8.5620 -8.4987 -8.4987 -8.2824 -8.2824 -8.1948 -8.1948 -8.0078 -8.0078 -7.9980 -7.9980 -0.6276 -0.6276 0.3981 0.3981 1.5606 1.5606 1.5618 1.5618 2.4657 2.4657 2.5079 2.5079 2.9858 2.9858 2.9975 2.9975 3.1361 3.1361 3.9980 3.9980 4.3614 4.3614 4.3671 4.3671 10.2837 10.2837 10.8522 10.8522 11.7212 11.7212 11.7260 11.7260 11.8074 11.8074 k = 0.3902-0.2253 0.3186 ( 4412 PWs) bands (ev): -24.7931 -24.7931 -24.7474 -24.7474 -12.3844 -12.3844 -11.9473 -11.9473 -11.4834 -11.4834 -11.4825 -11.4825 -8.5595 -8.5595 -8.5025 -8.5025 -8.2775 -8.2775 -8.1967 -8.1967 -8.0068 -8.0068 -7.9976 -7.9976 -0.5732 -0.5732 0.3569 0.3569 1.5853 1.5853 1.5866 1.5866 2.4587 2.4587 2.4881 2.4881 2.9630 2.9630 2.9738 2.9738 3.1750 3.1750 3.9542 3.9542 4.3523 4.3523 4.3574 4.3574 10.3810 10.3810 10.8693 10.8693 11.7155 11.7155 11.7198 11.7198 11.7389 11.7389 k = 0.4024-0.2323 0.3286 ( 4404 PWs) bands (ev): -24.7906 -24.7906 -24.7498 -24.7498 -12.3629 -12.3629 -11.9726 -11.9726 -11.4840 -11.4840 -11.4832 -11.4832 -8.5569 -8.5569 -8.5063 -8.5063 -8.2724 -8.2724 -8.1990 -8.1990 -8.0058 -8.0058 -7.9972 -7.9972 -0.5183 -0.5183 0.3139 0.3139 1.6087 1.6087 1.6100 1.6100 2.4517 2.4517 2.4708 2.4708 2.9414 2.9414 2.9512 2.9512 3.2147 3.2147 3.9100 3.9100 4.3443 4.3443 4.3488 4.3488 10.4775 10.4775 10.8901 10.8901 11.6716 11.6716 11.7098 11.7098 11.7139 11.7139 k = 0.4146-0.2394 0.3385 ( 4416 PWs) bands (ev): -24.7881 -24.7881 -24.7523 -24.7523 -12.3409 -12.3409 -11.9980 -11.9980 -11.4846 -11.4846 -11.4838 -11.4838 -8.5542 -8.5542 -8.5099 -8.5099 -8.2672 -8.2672 -8.2017 -8.2017 -8.0048 -8.0048 -7.9971 -7.9971 -0.4632 -0.4632 0.2694 0.2694 1.6304 1.6304 1.6317 1.6317 2.4448 2.4448 2.4560 2.4560 2.9212 2.9212 2.9299 2.9299 3.2551 3.2551 3.8656 3.8656 4.3372 4.3372 4.3412 4.3412 10.5727 10.5727 10.9147 10.9147 11.6058 11.6058 11.7042 11.7042 11.7082 11.7082 k = 0.4268-0.2464 0.3485 ( 4408 PWs) bands (ev): -24.7856 -24.7856 -24.7548 -24.7548 -12.3183 -12.3183 -12.0235 -12.0235 -11.4850 -11.4850 -11.4844 -11.4844 -8.5515 -8.5515 -8.5135 -8.5135 -8.2619 -8.2619 -8.2048 -8.2048 -8.0038 -8.0038 -7.9970 -7.9970 -0.4079 -0.4079 0.2234 0.2234 1.6501 1.6501 1.6514 1.6514 2.4382 2.4382 2.4436 2.4436 2.9029 2.9029 2.9105 2.9105 3.2961 3.2961 3.8210 3.8210 4.3312 4.3312 4.3347 4.3347 10.6666 10.6666 10.9430 10.9430 11.5416 11.5416 11.6722 11.6722 11.7010 11.7025 k = 0.4390-0.2535 0.3585 ( 4404 PWs) bands (ev): -24.7831 -24.7831 -24.7573 -24.7573 -12.2954 -12.2954 -12.0490 -12.0490 -11.4854 -11.4854 -11.4849 -11.4849 -8.5486 -8.5486 -8.5170 -8.5170 -8.2565 -8.2565 -8.2083 -8.2083 -8.0029 -8.0029 -7.9971 -7.9971 -0.3525 -0.3525 0.1760 0.1760 1.6676 1.6676 1.6687 1.6687 2.4320 2.4320 2.4335 2.4335 2.8867 2.8867 2.8931 2.8931 3.3378 3.3378 3.7763 3.7763 4.3262 4.3262 4.3291 4.3291 10.7589 10.7589 10.9747 10.9747 11.4793 11.4793 11.6010 11.6010 11.6965 11.6973 k = 0.4512-0.2605 0.3684 ( 4404 PWs) bands (ev): -24.7805 -24.7805 -24.7599 -24.7599 -12.2720 -12.2720 -12.0744 -12.0744 -11.4858 -11.4858 -11.4853 -11.4853 -8.5457 -8.5457 -8.5204 -8.5204 -8.2512 -8.2512 -8.2122 -8.2122 -8.0021 -8.0021 -7.9973 -7.9973 -0.2971 -0.2971 0.1272 0.1272 1.6824 1.6824 1.6834 1.6834 2.4256 2.4256 2.4265 2.4265 2.8730 2.8730 2.8782 2.8782 3.3800 3.3800 3.7316 3.7316 4.3222 4.3222 4.3245 4.3245 10.8492 10.8492 11.0096 11.0096 11.4194 11.4194 11.5276 11.5276 11.6929 11.6941 k = 0.4634-0.2676 0.3784 ( 4384 PWs) bands (ev): -24.7779 -24.7779 -24.7624 -24.7624 -12.2483 -12.2483 -12.0998 -12.0998 -11.4860 -11.4860 -11.4856 -11.4856 -8.5427 -8.5427 -8.5238 -8.5238 -8.2458 -8.2458 -8.2163 -8.2163 -8.0012 -8.0012 -7.9976 -7.9976 -0.2420 -0.2420 0.0772 0.0772 1.6944 1.6944 1.6952 1.6952 2.4199 2.4199 2.4218 2.4218 2.8621 2.8621 2.8660 2.8660 3.4228 3.4228 3.6869 3.6869 4.3191 4.3191 4.3208 4.3208 10.9372 10.9372 11.0473 11.0473 11.3623 11.3623 11.4528 11.4528 11.6899 11.6907 k = 0.4756-0.2746 0.3883 ( 4380 PWs) bands (ev): -24.7753 -24.7753 -24.7650 -24.7650 -12.2242 -12.2242 -12.1251 -12.1251 -11.4862 -11.4862 -11.4859 -11.4859 -8.5397 -8.5397 -8.5271 -8.5271 -8.2405 -8.2405 -8.2207 -8.2207 -8.0004 -8.0004 -7.9980 -7.9980 -0.1872 -0.1872 0.0260 0.0260 1.7032 1.7032 1.7037 1.7037 2.4162 2.4162 2.4180 2.4180 2.8543 2.8543 2.8570 2.8570 3.4660 3.4660 3.6423 3.6423 4.3170 4.3170 4.3182 4.3182 11.0216 11.0216 11.0867 11.0867 11.3093 11.3093 11.3775 11.3775 11.6879 11.6885 k = 0.4878-0.2816 0.3983 ( 4380 PWs) bands (ev): -24.7728 -24.7728 -24.7676 -24.7676 -12.1998 -12.1998 -12.1502 -12.1502 -11.4863 -11.4863 -11.4860 -11.4860 -8.5366 -8.5366 -8.5303 -8.5303 -8.2353 -8.2353 -8.2254 -8.2254 -7.9997 -7.9997 -7.9984 -7.9984 -0.1329 -0.1329 -0.0261 -0.0261 1.7086 1.7086 1.7089 1.7089 2.4143 2.4143 2.4154 2.4154 2.8498 2.8498 2.8511 2.8511 3.5096 3.5096 3.5978 3.5978 4.3159 4.3159 4.3165 4.3165 11.0981 11.0981 11.1246 11.1246 11.2649 11.2649 11.3049 11.3049 11.6868 11.6871 k = 0.5000-0.2887 0.4082 ( 4360 PWs) bands (ev): -24.7701 -24.7701 -24.7701 -24.7701 -12.1752 -12.1752 -12.1750 -12.1750 -11.4863 -11.4863 -11.4861 -11.4861 -8.5335 -8.5335 -8.5335 -8.5335 -8.2303 -8.2303 -8.2303 -8.2303 -7.9990 -7.9990 -7.9990 -7.9990 -0.0792 -0.0792 -0.0790 -0.0790 1.7104 1.7104 1.7106 1.7106 2.4140 2.4140 2.4142 2.4142 2.8487 2.8487 2.8488 2.8488 3.5535 3.5535 3.5537 3.5537 4.3156 4.3156 4.3158 4.3158 11.1424 11.1424 11.1424 11.1424 11.2534 11.2534 11.2534 11.2534 11.6865 11.6865 k = 0.5000-0.2887 0.4082 ( 4360 PWs) bands (ev): -24.7701 -24.7701 -24.7701 -24.7701 -12.1752 -12.1752 -12.1750 -12.1750 -11.4863 -11.4863 -11.4861 -11.4861 -8.5335 -8.5335 -8.5335 -8.5335 -8.2303 -8.2303 -8.2303 -8.2303 -7.9990 -7.9990 -7.9990 -7.9990 -0.0792 -0.0792 -0.0790 -0.0790 1.7104 1.7104 1.7106 1.7106 2.4140 2.4140 2.4142 2.4142 2.8487 2.8487 2.8488 2.8488 3.5535 3.5535 3.5537 3.5537 4.3156 4.3156 4.3158 4.3158 11.1424 11.1424 11.1424 11.1424 11.2534 11.2534 11.2534 11.2534 11.6865 11.6865 k = 0.5000-0.2749 0.4180 ( 4390 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1753 -12.1753 -12.1751 -12.1751 -11.4863 -11.4863 -11.4860 -11.4860 -8.5349 -8.5349 -8.5321 -8.5321 -8.2345 -8.2345 -8.2262 -8.2262 -8.0019 -8.0019 -7.9963 -7.9963 -0.0791 -0.0791 -0.0789 -0.0789 1.7095 1.7095 1.7102 1.7102 2.4129 2.4129 2.4144 2.4144 2.8494 2.8494 2.8507 2.8507 3.5538 3.5538 3.5540 3.5540 4.3147 4.3147 4.3152 4.3152 11.1427 11.1427 11.1427 11.1427 11.2514 11.2514 11.2517 11.2517 11.6884 11.6889 k = 0.5000-0.2612 0.4277 ( 4398 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1754 -12.1754 -12.1752 -12.1752 -11.4861 -11.4861 -11.4859 -11.4859 -8.5361 -8.5361 -8.5305 -8.5305 -8.2388 -8.2388 -8.2222 -8.2222 -8.0048 -8.0048 -7.9937 -7.9937 -0.0786 -0.0786 -0.0783 -0.0783 1.7073 1.7073 1.7085 1.7085 2.4111 2.4111 2.4140 2.4140 2.8527 2.8527 2.8552 2.8552 3.5547 3.5547 3.5549 3.5549 4.3121 4.3121 4.3130 4.3130 11.1436 11.1436 11.1437 11.1437 11.2461 11.2461 11.2466 11.2466 11.6944 11.6954 k = 0.5000-0.2474 0.4374 ( 4402 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1756 -12.1756 -12.1753 -12.1753 -11.4859 -11.4859 -11.4856 -11.4856 -8.5371 -8.5371 -8.5288 -8.5288 -8.2431 -8.2431 -8.2183 -8.2183 -8.0078 -8.0078 -7.9912 -7.9912 -0.0779 -0.0779 -0.0775 -0.0775 1.7037 1.7037 1.7055 1.7055 2.4086 2.4086 2.4128 2.4128 2.8585 2.8585 2.8621 2.8621 3.5563 3.5563 3.5564 3.5564 4.3081 4.3081 4.3094 4.3094 11.1451 11.1451 11.1452 11.1452 11.2378 11.2378 11.2385 11.2385 11.7038 11.7054 k = 0.5000-0.2337 0.4471 ( 4402 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1758 -12.1758 -12.1756 -12.1756 -11.4856 -11.4856 -11.4852 -11.4852 -8.5381 -8.5381 -8.5270 -8.5270 -8.2475 -8.2475 -8.2145 -8.2145 -8.0109 -8.0109 -7.9888 -7.9888 -0.0768 -0.0768 -0.0763 -0.0763 1.6990 1.6990 1.7014 1.7014 2.4055 2.4055 2.4110 2.4110 2.8665 2.8665 2.8711 2.8711 3.5584 3.5584 3.5586 3.5586 4.3026 4.3026 4.3043 4.3043 11.1467 11.1467 11.1469 11.1469 11.2274 11.2274 11.2281 11.2281 11.7171 11.7174 k = 0.5000-0.2199 0.4568 ( 4398 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1761 -12.1761 -12.1759 -12.1759 -11.4852 -11.4852 -11.4848 -11.4848 -8.5389 -8.5389 -8.5250 -8.5250 -8.2519 -8.2519 -8.2108 -8.2108 -8.0139 -8.0139 -7.9865 -7.9865 -0.0755 -0.0755 -0.0749 -0.0749 1.6933 1.6933 1.6961 1.6961 2.4020 2.4020 2.4086 2.4086 2.8765 2.8765 2.8821 2.8821 3.5612 3.5612 3.5614 3.5614 4.2956 4.2956 4.2979 4.2979 11.1479 11.1479 11.1483 11.1483 11.2160 11.2160 11.2167 11.2167 11.7330 11.7338 k = 0.5000-0.2062 0.4666 ( 4390 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1765 -12.1765 -12.1762 -12.1762 -11.4848 -11.4848 -11.4842 -11.4842 -8.5396 -8.5396 -8.5230 -8.5230 -8.2562 -8.2562 -8.2072 -8.2072 -8.0170 -8.0170 -7.9844 -7.9844 -0.0739 -0.0739 -0.0731 -0.0731 1.6866 1.6866 1.6900 1.6900 2.3983 2.3983 2.4058 2.4058 2.8883 2.8883 2.8947 2.8947 3.5645 3.5645 3.5647 3.5647 4.2874 4.2874 4.2901 4.2901 11.1476 11.1476 11.1484 11.1484 11.2052 11.2052 11.2056 11.2056 11.7511 11.7532 k = 0.5000-0.1925 0.4763 ( 4386 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1769 -12.1769 -12.1766 -12.1766 -11.4842 -11.4842 -11.4837 -11.4837 -8.5402 -8.5402 -8.5209 -8.5209 -8.2606 -8.2606 -8.2039 -8.2039 -8.0201 -8.0201 -7.9824 -7.9824 -0.0721 -0.0721 -0.0712 -0.0712 1.6792 1.6792 1.6830 1.6830 2.3944 2.3944 2.4027 2.4027 2.9014 2.9014 2.9086 2.9086 3.5684 3.5684 3.5686 3.5686 4.2780 4.2780 4.2812 4.2812 11.1441 11.1441 11.1454 11.1454 11.1972 11.1972 11.1972 11.1972 11.7713 11.7726 k = 0.5000-0.1787 0.4860 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1773 -12.1773 -12.1770 -12.1770 -11.4837 -11.4837 -11.4830 -11.4830 -8.5407 -8.5407 -8.5188 -8.5188 -8.2649 -8.2649 -8.2006 -8.2006 -8.0232 -8.0232 -7.9805 -7.9805 -0.0701 -0.0701 -0.0691 -0.0691 1.6713 1.6713 1.6755 1.6755 2.3905 2.3905 2.3995 2.3995 2.9156 2.9156 2.9233 2.9233 3.5728 3.5728 3.5731 3.5731 4.2676 4.2676 4.2712 4.2712 11.1360 11.1360 11.1377 11.1377 11.1933 11.1933 11.1937 11.1937 11.7927 11.7932 k = 0.5000-0.1650 0.4957 ( 4392 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1778 -12.1778 -12.1774 -12.1774 -11.4831 -11.4831 -11.4824 -11.4824 -8.5411 -8.5411 -8.5166 -8.5166 -8.2691 -8.2691 -8.1975 -8.1975 -8.0263 -8.0263 -7.9788 -7.9788 -0.0680 -0.0680 -0.0669 -0.0669 1.6630 1.6630 1.6675 1.6675 2.3867 2.3867 2.3962 2.3962 2.9303 2.9303 2.9386 2.9386 3.5777 3.5777 3.5781 3.5781 4.2563 4.2563 4.2604 4.2604 11.1241 11.1241 11.1259 11.1259 11.1936 11.1936 11.1942 11.1942 11.8153 11.8161 k = 0.5000-0.1512 0.5055 ( 4392 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1783 -12.1783 -12.1779 -12.1779 -11.4824 -11.4824 -11.4817 -11.4817 -8.5414 -8.5414 -8.5144 -8.5144 -8.2732 -8.2732 -8.1946 -8.1946 -8.0292 -8.0292 -7.9773 -7.9773 -0.0658 -0.0658 -0.0646 -0.0646 1.6545 1.6545 1.6593 1.6593 2.3829 2.3829 2.3929 2.3929 2.9454 2.9454 2.9542 2.9542 3.5830 3.5830 3.5835 3.5835 4.2443 4.2443 4.2489 4.2489 11.1102 11.1102 11.1120 11.1120 11.1965 11.1965 11.1972 11.1972 11.8386 11.8434 k = 0.5000-0.1375 0.5152 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1788 -12.1788 -12.1783 -12.1783 -11.4818 -11.4818 -11.4810 -11.4810 -8.5417 -8.5417 -8.5122 -8.5122 -8.2771 -8.2771 -8.1919 -8.1919 -8.0320 -8.0320 -7.9758 -7.9758 -0.0635 -0.0635 -0.0623 -0.0623 1.6460 1.6460 1.6511 1.6511 2.3794 2.3794 2.3898 2.3898 2.9605 2.9605 2.9696 2.9696 3.5886 3.5886 3.5893 3.5893 4.2318 4.2318 4.2369 4.2369 11.0957 11.0957 11.0975 11.0975 11.2006 11.2006 11.2014 11.2014 11.8623 11.8625 k = 0.5000-0.1237 0.5249 ( 4384 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1793 -12.1793 -12.1788 -12.1788 -11.4812 -11.4812 -11.4803 -11.4803 -8.5419 -8.5419 -8.5101 -8.5101 -8.2809 -8.2809 -8.1894 -8.1894 -8.0347 -8.0347 -7.9745 -7.9745 -0.0613 -0.0613 -0.0600 -0.0600 1.6377 1.6377 1.6430 1.6430 2.3762 2.3762 2.3868 2.3868 2.9752 2.9752 2.9846 2.9846 3.5945 3.5945 3.5953 3.5953 4.2191 4.2191 4.2246 4.2246 11.0813 11.0813 11.0831 11.0831 11.2054 11.2054 11.2062 11.2062 11.8863 11.8863 k = 0.5000-0.1100 0.5346 ( 4400 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1797 -12.1797 -12.1792 -12.1792 -11.4805 -11.4805 -11.4796 -11.4796 -8.5420 -8.5420 -8.5081 -8.5081 -8.2844 -8.2844 -8.1871 -8.1871 -8.0373 -8.0373 -7.9734 -7.9734 -0.0591 -0.0591 -0.0577 -0.0577 1.6298 1.6298 1.6353 1.6353 2.3732 2.3732 2.3840 2.3840 2.9892 2.9892 2.9989 2.9989 3.6006 3.6006 3.6016 3.6016 4.2064 4.2064 4.2125 4.2125 11.0676 11.0676 11.0694 11.0694 11.2102 11.2102 11.2111 11.2111 11.9100 11.9102 k = 0.5000-0.0962 0.5443 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1801 -12.1801 -12.1796 -12.1796 -11.4800 -11.4800 -11.4790 -11.4790 -8.5421 -8.5421 -8.5062 -8.5062 -8.2876 -8.2876 -8.1850 -8.1850 -8.0396 -8.0396 -7.9724 -7.9724 -0.0571 -0.0571 -0.0556 -0.0556 1.6224 1.6224 1.6280 1.6280 2.3705 2.3705 2.3815 2.3815 3.0023 3.0023 3.0122 3.0122 3.6066 3.6066 3.6078 3.6078 4.1941 4.1941 4.2006 4.2006 11.0550 11.0550 11.0567 11.0567 11.2150 11.2150 11.2159 11.2159 11.9332 11.9333 k = 0.5000-0.0825 0.5541 ( 4404 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1805 -12.1805 -12.1800 -12.1800 -11.4794 -11.4794 -11.4784 -11.4784 -8.5422 -8.5422 -8.5044 -8.5044 -8.2906 -8.2906 -8.1831 -8.1831 -8.0418 -8.0418 -7.9715 -7.9715 -0.0552 -0.0552 -0.0537 -0.0537 1.6156 1.6156 1.6214 1.6214 2.3681 2.3681 2.3793 2.3793 3.0141 3.0141 3.0243 3.0243 3.6125 3.6125 3.6139 3.6139 4.1824 4.1824 4.1894 4.1894 11.0437 11.0437 11.0454 11.0454 11.2194 11.2194 11.2203 11.2203 11.9553 11.9554 k = 0.5000-0.0687 0.5638 ( 4394 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1809 -12.1809 -12.1804 -12.1804 -11.4790 -11.4790 -11.4779 -11.4779 -8.5422 -8.5422 -8.5029 -8.5029 -8.2931 -8.2931 -8.1815 -8.1815 -8.0436 -8.0436 -7.9708 -7.9708 -0.0535 -0.0535 -0.0519 -0.0519 1.6097 1.6097 1.6156 1.6156 2.3661 2.3661 2.3773 2.3773 3.0246 3.0246 3.0349 3.0349 3.6180 3.6180 3.6196 3.6196 4.1718 4.1718 4.1791 4.1791 11.0339 11.0339 11.0355 11.0355 11.2233 11.2233 11.2243 11.2243 11.9757 11.9759 k = 0.5000-0.0550 0.5735 ( 4394 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1812 -12.1812 -12.1806 -12.1806 -11.4786 -11.4786 -11.4775 -11.4775 -8.5423 -8.5423 -8.5015 -8.5015 -8.2953 -8.2953 -8.1801 -8.1801 -8.0451 -8.0451 -7.9702 -7.9702 -0.0520 -0.0520 -0.0504 -0.0504 1.6047 1.6047 1.6107 1.6107 2.3645 2.3645 2.3758 2.3758 3.0334 3.0334 3.0438 3.0438 3.6229 3.6229 3.6247 3.6247 4.1624 4.1624 4.1702 4.1702 11.0256 11.0256 11.0272 11.0272 11.2267 11.2267 11.2276 11.2276 11.9938 11.9939 k = 0.5000-0.0412 0.5832 ( 4398 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1814 -12.1814 -12.1809 -12.1809 -11.4782 -11.4782 -11.4772 -11.4772 -8.5423 -8.5423 -8.5005 -8.5005 -8.2970 -8.2970 -8.1791 -8.1791 -8.0464 -8.0464 -7.9697 -7.9697 -0.0509 -0.0509 -0.0492 -0.0492 1.6007 1.6007 1.6067 1.6067 2.3632 2.3632 2.3745 2.3745 3.0404 3.0404 3.0509 3.0509 3.6270 3.6270 3.6290 3.6290 4.1547 4.1547 4.1628 4.1628 11.0191 11.0191 11.0207 11.0207 11.2294 11.2294 11.2304 11.2304 12.0090 12.0093 k = 0.5000-0.0275 0.5929 ( 4400 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1816 -12.1816 -12.1810 -12.1810 -11.4780 -11.4780 -11.4769 -11.4769 -8.5423 -8.5423 -8.4997 -8.4997 -8.2982 -8.2982 -8.1783 -8.1783 -8.0473 -8.0473 -7.9694 -7.9694 -0.0500 -0.0500 -0.0484 -0.0484 1.5977 1.5977 1.6039 1.6039 2.3623 2.3623 2.3736 2.3736 3.0455 3.0455 3.0561 3.0561 3.6301 3.6301 3.6323 3.6323 4.1490 4.1490 4.1573 4.1573 11.0144 11.0144 11.0159 11.0159 11.2313 11.2313 11.2323 11.2323 12.0205 12.0208 k = 0.5000-0.0137 0.6027 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1817 -12.1817 -12.1811 -12.1811 -11.4779 -11.4779 -11.4768 -11.4768 -8.5423 -8.5423 -8.4992 -8.4992 -8.2990 -8.2990 -8.1778 -8.1778 -8.0478 -8.0478 -7.9692 -7.9692 -0.0495 -0.0495 -0.0478 -0.0478 1.5960 1.5960 1.6021 1.6021 2.3617 2.3617 2.3731 2.3731 3.0486 3.0486 3.0592 3.0592 3.6320 3.6320 3.6343 3.6343 4.1455 4.1455 4.1539 4.1539 11.0115 11.0115 11.0131 11.0131 11.2325 11.2325 11.2336 11.2336 12.0276 12.0281 k = 0.5000-0.0000 0.6124 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1817 -12.1817 -12.1812 -12.1812 -11.4778 -11.4778 -11.4767 -11.4767 -8.5423 -8.5423 -8.4990 -8.4990 -8.2992 -8.2992 -8.1777 -8.1777 -8.0480 -8.0480 -7.9691 -7.9691 -0.0493 -0.0493 -0.0477 -0.0477 1.5954 1.5954 1.6015 1.6015 2.3615 2.3615 2.3729 2.3729 3.0496 3.0496 3.0602 3.0602 3.6326 3.6326 3.6350 3.6350 4.1443 4.1443 4.1528 4.1528 11.0106 11.0106 11.0121 11.0121 11.2329 11.2329 11.2340 11.2340 12.0301 12.0303 k = 0.5000-0.0000 0.6124 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1817 -12.1817 -12.1812 -12.1812 -11.4778 -11.4778 -11.4767 -11.4767 -8.5423 -8.5423 -8.4990 -8.4990 -8.2992 -8.2992 -8.1777 -8.1777 -8.0480 -8.0480 -7.9691 -7.9691 -0.0493 -0.0493 -0.0477 -0.0477 1.5954 1.5954 1.6015 1.6015 2.3615 2.3615 2.3729 2.3729 3.0496 3.0496 3.0602 3.0602 3.6326 3.6326 3.6350 3.6350 4.1443 4.1443 4.1528 4.1528 11.0106 11.0106 11.0121 11.0121 11.2329 11.2329 11.2340 11.2340 12.0301 12.0303 k = 0.4917 0.0144 0.6124 ( 4392 PWs) bands (ev): -24.7714 -24.7714 -24.7690 -24.7690 -12.1932 -12.1932 -12.1696 -12.1696 -11.4778 -11.4778 -11.4767 -11.4767 -8.5424 -8.5424 -8.4990 -8.4990 -8.2992 -8.2992 -8.1776 -8.1776 -8.0480 -8.0480 -7.9691 -7.9691 -0.0775 -0.0775 -0.0196 -0.0196 1.5951 1.5951 1.6016 1.6016 2.3489 2.3489 2.3862 2.3862 3.0389 3.0389 3.0706 3.0706 3.6320 3.6320 3.6346 3.6346 4.1283 4.1283 4.1704 4.1704 11.0088 11.0088 11.0123 11.0123 11.2245 11.2245 11.2433 11.2433 12.0269 12.0270 k = 0.4833 0.0289 0.6124 ( 4402 PWs) bands (ev): -24.7725 -24.7725 -24.7678 -24.7678 -12.2043 -12.2043 -12.1583 -12.1583 -11.4779 -11.4779 -11.4768 -11.4768 -8.5427 -8.5427 -8.4988 -8.4988 -8.2993 -8.2993 -8.1776 -8.1776 -8.0479 -8.0479 -7.9693 -7.9693 -0.1053 -0.1053 0.0078 0.0078 1.5944 1.5944 1.6020 1.6020 2.3321 2.3321 2.4049 2.4049 3.0229 3.0229 3.0853 3.0853 3.6290 3.6290 3.6347 3.6347 4.1085 4.1085 4.1945 4.1945 11.0064 11.0064 11.0109 11.0109 11.2148 11.2148 11.2551 11.2551 12.0176 12.0176 k = 0.4750 0.0433 0.6124 ( 4397 PWs) bands (ev): -24.7736 -24.7736 -24.7667 -24.7667 -12.2147 -12.2147 -12.1475 -12.1475 -11.4779 -11.4779 -11.4768 -11.4768 -8.5432 -8.5432 -8.4986 -8.4986 -8.2992 -8.2992 -8.1774 -8.1774 -8.0477 -8.0477 -7.9694 -7.9694 -0.1317 -0.1317 0.0337 0.0337 1.5935 1.5935 1.6025 1.6025 2.3153 2.3153 2.4248 2.4248 3.0054 3.0054 3.1006 3.1006 3.6218 3.6218 3.6381 3.6381 4.0884 4.0884 4.2207 4.2207 11.0039 11.0039 11.0084 11.0084 11.2045 11.2045 11.2683 11.2683 12.0037 12.0037 k = 0.4667 0.0577 0.6124 ( 4408 PWs) bands (ev): -24.7746 -24.7746 -24.7658 -24.7658 -12.2244 -12.2244 -12.1374 -12.1374 -11.4780 -11.4780 -11.4769 -11.4769 -8.5438 -8.5438 -8.4982 -8.4982 -8.2992 -8.2992 -8.1772 -8.1772 -8.0476 -8.0476 -7.9697 -7.9697 -0.1565 -0.1565 0.0579 0.0579 1.5924 1.5924 1.6031 1.6031 2.2990 2.2990 2.4455 2.4455 2.9868 2.9868 3.1161 3.1161 3.6119 3.6119 3.6435 3.6435 4.0681 4.0681 4.2478 4.2478 11.0013 11.0013 11.0054 11.0054 11.1938 11.1938 11.2824 11.2824 11.9859 11.9859 k = 0.4583 0.0722 0.6124 ( 4406 PWs) bands (ev): -24.7755 -24.7755 -24.7648 -24.7648 -12.2332 -12.2332 -12.1280 -12.1280 -11.4780 -11.4780 -11.4769 -11.4769 -8.5446 -8.5446 -8.4978 -8.4978 -8.2992 -8.2992 -8.1770 -8.1770 -8.0474 -8.0474 -7.9700 -7.9700 -0.1796 -0.1796 0.0804 0.0804 1.5913 1.5913 1.6037 1.6037 2.2834 2.2834 2.4669 2.4669 2.9673 2.9673 3.1317 3.1317 3.6003 3.6003 3.6508 3.6508 4.0478 4.0478 4.2750 4.2750 10.9988 10.9988 11.0024 11.0024 11.1829 11.1829 11.2972 11.2972 11.9649 11.9649 k = 0.4500 0.0866 0.6124 ( 4406 PWs) bands (ev): -24.7764 -24.7764 -24.7640 -24.7640 -12.2413 -12.2413 -12.1194 -12.1194 -11.4781 -11.4781 -11.4770 -11.4770 -8.5454 -8.5454 -8.4974 -8.4974 -8.2991 -8.2991 -8.1767 -8.1767 -8.0472 -8.0472 -7.9703 -7.9703 -0.2009 -0.2009 0.1010 0.1010 1.5903 1.5903 1.6043 1.6043 2.2687 2.2687 2.4888 2.4888 2.9471 2.9471 3.1471 3.1471 3.5874 3.5874 3.6596 3.6596 4.0275 4.0275 4.3015 4.3015 10.9964 10.9964 10.9994 10.9994 11.1721 11.1721 11.3125 11.3125 11.9413 11.9413 k = 0.4417 0.1010 0.6124 ( 4402 PWs) bands (ev): -24.7771 -24.7771 -24.7632 -24.7632 -12.2486 -12.2486 -12.1115 -12.1115 -11.4782 -11.4782 -11.4771 -11.4771 -8.5463 -8.5463 -8.4970 -8.4970 -8.2991 -8.2991 -8.1764 -8.1764 -8.0469 -8.0469 -7.9706 -7.9706 -0.2202 -0.2202 0.1197 0.1197 1.5894 1.5894 1.6049 1.6049 2.2550 2.2550 2.5110 2.5110 2.9263 2.9263 3.1623 3.1623 3.5739 3.5739 3.6696 3.6696 4.0075 4.0075 4.3268 4.3268 10.9941 10.9941 10.9967 10.9967 11.1615 11.1615 11.3282 11.3282 11.9160 11.9160 k = 0.4333 0.1155 0.6124 ( 4400 PWs) bands (ev): -24.7778 -24.7778 -24.7626 -24.7626 -12.2550 -12.2550 -12.1045 -12.1045 -11.4784 -11.4784 -11.4772 -11.4772 -8.5471 -8.5471 -8.4965 -8.4965 -8.2990 -8.2990 -8.1761 -8.1761 -8.0467 -8.0467 -7.9709 -7.9709 -0.2375 -0.2375 0.1364 0.1364 1.5887 1.5887 1.6054 1.6054 2.2425 2.2425 2.5333 2.5333 2.9051 2.9051 3.1770 3.1770 3.5602 3.5602 3.6808 3.6808 3.9878 3.9878 4.3502 4.3502 10.9919 10.9919 10.9943 10.9943 11.1516 11.1516 11.3442 11.3442 11.8898 11.8898 k = 0.4250 0.1299 0.6124 ( 4402 PWs) bands (ev): -24.7784 -24.7784 -24.7620 -24.7620 -12.2606 -12.2606 -12.0983 -12.0983 -11.4785 -11.4785 -11.4772 -11.4772 -8.5480 -8.5480 -8.4961 -8.4961 -8.2989 -8.2989 -8.1758 -8.1758 -8.0465 -8.0465 -7.9712 -7.9712 -0.2527 -0.2527 0.1510 0.1510 1.5880 1.5880 1.6059 1.6059 2.2313 2.2313 2.5555 2.5555 2.8839 2.8839 3.1910 3.1910 3.5467 3.5467 3.6926 3.6926 3.9686 3.9686 4.3714 4.3714 10.9899 10.9899 10.9923 10.9923 11.1424 11.1424 11.3601 11.3601 11.8636 11.8636 k = 0.4167 0.1443 0.6124 ( 4396 PWs) bands (ev): -24.7789 -24.7789 -24.7615 -24.7615 -12.2654 -12.2654 -12.0930 -12.0930 -11.4786 -11.4786 -11.4773 -11.4773 -8.5487 -8.5487 -8.4957 -8.4957 -8.2989 -8.2989 -8.1755 -8.1755 -8.0463 -8.0463 -7.9714 -7.9714 -0.2657 -0.2657 0.1635 0.1635 1.5875 1.5875 1.6063 1.6063 2.2216 2.2216 2.5774 2.5774 2.8628 2.8628 3.2039 3.2039 3.5339 3.5339 3.7049 3.7049 3.9504 3.9504 4.3899 4.3899 10.9882 10.9882 10.9905 10.9905 11.1343 11.1343 11.3757 11.3757 11.8385 11.8385 k = 0.4083 0.1588 0.6124 ( 4398 PWs) bands (ev): -24.7793 -24.7793 -24.7611 -24.7611 -12.2693 -12.2693 -12.0886 -12.0886 -11.4787 -11.4787 -11.4773 -11.4773 -8.5494 -8.5494 -8.4954 -8.4954 -8.2988 -8.2988 -8.1753 -8.1753 -8.0462 -8.0462 -7.9716 -7.9716 -0.2764 -0.2764 0.1738 0.1738 1.5872 1.5872 1.6067 1.6067 2.2134 2.2134 2.5984 2.5984 2.8424 2.8424 3.2155 3.2155 3.5224 3.5224 3.7170 3.7170 3.9334 3.9334 4.4054 4.4054 10.9868 10.9868 10.9891 10.9891 11.1273 11.1273 11.3903 11.3903 11.8154 11.8154 k = 0.4000 0.1732 0.6124 ( 4402 PWs) bands (ev): -24.7796 -24.7796 -24.7607 -24.7607 -12.2723 -12.2723 -12.0851 -12.0851 -11.4788 -11.4788 -11.4774 -11.4774 -8.5499 -8.5499 -8.4952 -8.4952 -8.2987 -8.2987 -8.1751 -8.1751 -8.0461 -8.0461 -7.9718 -7.9718 -0.2848 -0.2848 0.1819 0.1819 1.5869 1.5869 1.6069 1.6069 2.2070 2.2070 2.6179 2.6179 2.8234 2.8234 3.2252 3.2252 3.5125 3.5125 3.7283 3.7283 3.9184 3.9184 4.4177 4.4177 10.9856 10.9856 10.9880 10.9880 11.1218 11.1218 11.4032 11.4032 11.7954 11.7954 k = 0.3917 0.1876 0.6124 ( 4398 PWs) bands (ev): -24.7799 -24.7799 -24.7605 -24.7605 -12.2745 -12.2745 -12.0827 -12.0827 -11.4789 -11.4789 -11.4774 -11.4774 -8.5503 -8.5503 -8.4950 -8.4950 -8.2987 -8.2987 -8.1750 -8.1750 -8.0460 -8.0460 -7.9720 -7.9720 -0.2908 -0.2908 0.1877 0.1877 1.5867 1.5867 1.6072 1.6072 2.2023 2.2023 2.6345 2.6345 2.8071 2.8071 3.2327 3.2327 3.5050 3.5050 3.7378 3.7378 3.9062 3.9062 4.4267 4.4267 10.9848 10.9848 10.9872 10.9872 11.1177 11.1177 11.4135 11.4135 11.7799 11.7799 k = 0.3833 0.2021 0.6124 ( 4400 PWs) bands (ev): -24.7800 -24.7800 -24.7604 -24.7604 -12.2758 -12.2758 -12.0812 -12.0812 -11.4789 -11.4789 -11.4774 -11.4774 -8.5506 -8.5506 -8.4948 -8.4948 -8.2987 -8.2987 -8.1749 -8.1749 -8.0459 -8.0459 -7.9721 -7.9721 -0.2944 -0.2944 0.1912 0.1912 1.5866 1.5866 1.6073 1.6073 2.1994 2.1994 2.6463 2.6463 2.7955 2.7955 3.2374 3.2374 3.5002 3.5002 3.7444 3.7444 3.8981 3.8981 4.4321 4.4321 10.9843 10.9843 10.9868 10.9868 11.1153 11.1153 11.4203 11.4203 11.7699 11.7699 k = 0.3750 0.2165 0.6124 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2763 -12.2763 -12.0807 -12.0807 -11.4790 -11.4790 -11.4774 -11.4774 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2956 -0.2956 0.1923 0.1923 1.5866 1.5866 1.6073 1.6073 2.1985 2.1985 2.6507 2.6507 2.7912 2.7912 3.2390 3.2390 3.4985 3.4985 3.7467 3.7467 3.8952 3.8952 4.4339 4.4339 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.3750 0.2165 0.6124 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2763 -12.2763 -12.0807 -12.0807 -11.4790 -11.4790 -11.4774 -11.4774 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2956 -0.2956 0.1923 0.1923 1.5866 1.5866 1.6073 1.6073 2.1985 2.1985 2.6507 2.6507 2.7912 2.7912 3.2390 3.2390 3.4985 3.4985 3.7467 3.7467 3.8952 3.8952 4.4339 4.4339 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.3663 0.2115 0.5981 ( 4408 PWs) bands (ev): -24.7814 -24.7814 -24.7590 -24.7590 -12.2891 -12.2891 -12.0676 -12.0676 -11.4781 -11.4781 -11.4767 -11.4767 -8.5520 -8.5520 -8.4913 -8.4913 -8.3034 -8.3034 -8.1713 -8.1713 -8.0490 -8.0490 -7.9716 -7.9716 -0.3254 -0.3254 0.2271 0.2271 1.5704 1.5704 1.5970 1.5970 2.1866 2.1866 2.6759 2.6759 2.7843 2.7843 3.2792 3.2792 3.4932 3.4932 3.7718 3.7718 3.8446 3.8446 4.4475 4.4475 10.9470 10.9470 10.9651 10.9651 11.1216 11.1216 11.4553 11.4553 11.7688 11.7688 k = 0.3576 0.2064 0.5839 ( 4410 PWs) bands (ev): -24.7828 -24.7828 -24.7576 -24.7576 -12.3025 -12.3025 -12.0538 -12.0538 -11.4773 -11.4773 -11.4759 -11.4759 -8.5535 -8.5535 -8.4878 -8.4878 -8.3080 -8.3080 -8.1678 -8.1678 -8.0519 -8.0519 -7.9712 -7.9712 -0.3567 -0.3567 0.2629 0.2629 1.5535 1.5535 1.5866 1.5866 2.1769 2.1769 2.7011 2.7011 2.7773 2.7773 3.3200 3.3200 3.4880 3.4880 3.7911 3.7911 3.7999 3.7999 4.4614 4.4614 10.9048 10.9048 10.9462 10.9462 11.1319 11.1319 11.4885 11.4885 11.7684 11.7684 k = 0.3488 0.2014 0.5696 ( 4416 PWs) bands (ev): -24.7843 -24.7843 -24.7561 -24.7561 -12.3162 -12.3162 -12.0393 -12.0393 -11.4766 -11.4766 -11.4752 -11.4752 -8.5550 -8.5550 -8.4843 -8.4843 -8.3125 -8.3125 -8.1645 -8.1645 -8.0547 -8.0547 -7.9710 -7.9710 -0.3894 -0.3894 0.2995 0.2995 1.5359 1.5359 1.5760 1.5760 2.1694 2.1694 2.7260 2.7260 2.7700 2.7700 3.3615 3.3615 3.4829 3.4829 3.7405 3.7405 3.8256 3.8256 4.4754 4.4754 10.8580 10.8580 10.9295 10.9295 11.1453 11.1453 11.5223 11.5223 11.7649 11.7649 k = 0.3401 0.1964 0.5554 ( 4422 PWs) bands (ev): -24.7859 -24.7859 -24.7546 -24.7546 -12.3303 -12.3303 -12.0242 -12.0242 -11.4759 -11.4759 -11.4743 -11.4743 -8.5565 -8.5565 -8.4810 -8.4810 -8.3169 -8.3169 -8.1613 -8.1613 -8.0572 -8.0572 -7.9710 -7.9710 -0.4236 -0.4236 0.3367 0.3367 1.5179 1.5179 1.5651 1.5651 2.1646 2.1646 2.7504 2.7504 2.7629 2.7629 3.4035 3.4035 3.4781 3.4781 3.6882 3.6882 3.8537 3.8537 4.4895 4.4895 10.8066 10.8066 10.9152 10.9152 11.1618 11.1618 11.5563 11.5563 11.7579 11.7579 k = 0.3314 0.1913 0.5412 ( 4416 PWs) bands (ev): -24.7874 -24.7874 -24.7530 -24.7530 -12.3447 -12.3447 -12.0085 -12.0085 -11.4754 -11.4754 -11.4735 -11.4735 -8.5580 -8.5580 -8.4777 -8.4777 -8.3210 -8.3210 -8.1583 -8.1583 -8.0593 -8.0593 -7.9713 -7.9713 -0.4589 -0.4589 0.3741 0.3741 1.4993 1.4993 1.5539 1.5539 2.1625 2.1625 2.7546 2.7546 2.7751 2.7751 3.4460 3.4460 3.4735 3.4735 3.6361 3.6361 3.8827 3.8827 4.5036 4.5036 10.7507 10.7507 10.9036 10.9036 11.1813 11.1813 11.5906 11.5906 11.7473 11.7473 k = 0.3227 0.1863 0.5269 ( 4412 PWs) bands (ev): -24.7891 -24.7891 -24.7514 -24.7514 -12.3593 -12.3593 -11.9921 -11.9921 -11.4749 -11.4749 -11.4726 -11.4726 -8.5596 -8.5596 -8.4746 -8.4746 -8.3250 -8.3250 -8.1557 -8.1557 -8.0612 -8.0612 -7.9717 -7.9717 -0.4955 -0.4955 0.4116 0.4116 1.4803 1.4803 1.5423 1.5423 2.1634 2.1634 2.7470 2.7470 2.7982 2.7982 3.4687 3.4687 3.4893 3.4893 3.5846 3.5846 3.9125 3.9125 4.5176 4.5176 10.6902 10.6902 10.8948 10.8948 11.2038 11.2038 11.6248 11.6248 11.7330 11.7330 k = 0.3140 0.1813 0.5127 ( 4406 PWs) bands (ev): -24.7908 -24.7908 -24.7497 -24.7497 -12.3742 -12.3742 -11.9752 -11.9752 -11.4745 -11.4745 -11.4717 -11.4717 -8.5612 -8.5612 -8.4715 -8.4715 -8.3287 -8.3287 -8.1535 -8.1535 -8.0626 -8.0626 -7.9723 -7.9723 -0.5331 -0.5331 0.4487 0.4487 1.4610 1.4610 1.5302 1.5302 2.1675 2.1675 2.7391 2.7391 2.8204 2.8204 3.4645 3.4645 3.5312 3.5312 3.5358 3.5358 3.9430 3.9430 4.5316 4.5316 10.6252 10.6252 10.8889 10.8889 11.2293 11.2293 11.6590 11.6590 11.7153 11.7153 k = 0.3052 0.1762 0.4984 ( 4402 PWs) bands (ev): -24.7925 -24.7925 -24.7480 -24.7480 -12.3892 -12.3892 -11.9579 -11.9579 -11.4742 -11.4742 -11.4708 -11.4708 -8.5628 -8.5628 -8.4686 -8.4686 -8.3322 -8.3322 -8.1518 -8.1518 -8.0635 -8.0635 -7.9731 -7.9731 -0.5716 -0.5716 0.4852 0.4852 1.4414 1.4414 1.5176 1.5176 2.1751 2.1751 2.7310 2.7310 2.8413 2.8413 3.4597 3.4597 3.4863 3.4863 3.5767 3.5767 3.9742 3.9742 4.5455 4.5455 10.5560 10.5560 10.8861 10.8861 11.2578 11.2578 11.6931 11.6931 11.6948 11.6948 k = 0.2965 0.1712 0.4842 ( 4420 PWs) bands (ev): -24.7943 -24.7943 -24.7462 -24.7462 -12.4043 -12.4043 -11.9400 -11.9400 -11.4739 -11.4739 -11.4698 -11.4698 -8.5644 -8.5644 -8.4659 -8.4659 -8.3354 -8.3354 -8.1506 -8.1506 -8.0639 -8.0639 -7.9742 -7.9742 -0.6110 -0.6110 0.5209 0.5209 1.4216 1.4216 1.5043 1.5043 2.1862 2.1862 2.7228 2.7228 2.8605 2.8605 3.4363 3.4363 3.4593 3.4593 3.6209 3.6209 4.0059 4.0059 4.5592 4.5592 10.4826 10.4826 10.8864 10.8864 11.2891 11.2891 11.6717 11.6717 11.7270 11.7270 k = 0.2878 0.1662 0.4700 ( 4423 PWs) bands (ev): -24.7961 -24.7961 -24.7444 -24.7444 -12.4194 -12.4194 -11.9218 -11.9218 -11.4736 -11.4736 -11.4689 -11.4689 -8.5660 -8.5660 -8.4632 -8.4632 -8.3383 -8.3383 -8.1501 -8.1501 -8.0637 -8.0637 -7.9754 -7.9754 -0.6511 -0.6511 0.5555 0.5555 1.4017 1.4017 1.4903 1.4903 2.2010 2.2010 2.7144 2.7144 2.8774 2.8774 3.3935 3.3935 3.4549 3.4549 3.6655 3.6655 4.0381 4.0381 4.5728 4.5728 10.4054 10.4054 10.8899 10.8899 11.3233 11.3233 11.6470 11.6470 11.7607 11.7607 k = 0.2791 0.1611 0.4557 ( 4415 PWs) bands (ev): -24.7979 -24.7979 -24.7426 -24.7426 -12.4346 -12.4346 -11.9032 -11.9032 -11.4734 -11.4734 -11.4681 -11.4681 -8.5676 -8.5676 -8.4606 -8.4606 -8.3410 -8.3410 -8.1502 -8.1502 -8.0630 -8.0630 -7.9768 -7.9768 -0.6918 -0.6918 0.5887 0.5887 1.3818 1.3818 1.4756 1.4756 2.2196 2.2196 2.7058 2.7058 2.8915 2.8915 3.3533 3.3533 3.4516 3.4516 3.7104 3.7104 4.0707 4.0707 4.5861 4.5861 10.3247 10.3247 10.8966 10.8966 11.3601 11.3601 11.6212 11.6212 11.7942 11.7942 k = 0.2703 0.1561 0.4415 ( 4411 PWs) bands (ev): -24.7997 -24.7997 -24.7408 -24.7408 -12.4498 -12.4498 -11.8843 -11.8843 -11.4732 -11.4732 -11.4672 -11.4672 -8.5692 -8.5692 -8.4581 -8.4581 -8.3433 -8.3433 -8.1510 -8.1510 -8.0618 -8.0618 -7.9783 -7.9783 -0.7329 -0.7329 0.6205 0.6205 1.3618 1.3618 1.4602 1.4602 2.2421 2.2421 2.6972 2.6972 2.9019 2.9019 3.3176 3.3176 3.4487 3.4487 3.7556 3.7556 4.1036 4.1036 4.5992 4.5992 10.2409 10.2409 10.9063 10.9063 11.3994 11.3994 11.5948 11.5948 11.8275 11.8275 k = 0.2616 0.1511 0.4272 ( 4403 PWs) bands (ev): -24.8016 -24.8016 -24.7390 -24.7390 -12.4649 -12.4649 -11.8651 -11.8651 -11.4729 -11.4729 -11.4664 -11.4664 -8.5708 -8.5708 -8.4557 -8.4557 -8.3454 -8.3454 -8.1524 -8.1524 -8.0601 -8.0601 -7.9801 -7.9801 -0.7745 -0.7745 0.6506 0.6506 1.3419 1.3419 1.4439 1.4439 2.2684 2.2684 2.6884 2.6884 2.9078 2.9078 3.2873 3.2873 3.4461 3.4461 3.8010 3.8010 4.1368 4.1368 4.6120 4.6120 10.1543 10.1543 10.9191 10.9191 11.4410 11.4410 11.5684 11.5684 11.8606 11.8606 k = 0.2529 0.1460 0.4130 ( 4403 PWs) bands (ev): -24.8034 -24.8034 -24.7371 -24.7371 -12.4799 -12.4799 -11.8457 -11.8457 -11.4727 -11.4727 -11.4656 -11.4656 -8.5724 -8.5724 -8.4533 -8.4533 -8.3471 -8.3471 -8.1544 -8.1544 -8.0581 -8.0581 -7.9820 -7.9820 -0.8163 -0.8163 0.6789 0.6789 1.3221 1.3221 1.4269 1.4269 2.2985 2.2985 2.6795 2.6795 2.9082 2.9082 3.2636 3.2636 3.4438 3.4438 3.8467 3.8467 4.1702 4.1702 4.6245 4.6245 10.0653 10.0653 10.9348 10.9348 11.4846 11.4846 11.5424 11.5424 11.8937 11.8937 k = 0.2442 0.1410 0.3988 ( 4403 PWs) bands (ev): -24.8053 -24.8053 -24.7353 -24.7353 -12.4947 -12.4947 -11.8262 -11.8262 -11.4724 -11.4724 -11.4648 -11.4648 -8.5739 -8.5739 -8.4510 -8.4510 -8.3486 -8.3486 -8.1569 -8.1569 -8.0558 -8.0558 -7.9841 -7.9841 -0.8582 -0.8582 0.7054 0.7054 1.3024 1.3024 1.4091 1.4091 2.3323 2.3323 2.6705 2.6705 2.9025 2.9025 3.2470 3.2470 3.4418 3.4418 3.8924 3.8924 4.2037 4.2037 4.6368 4.6368 9.9743 9.9743 10.9532 10.9532 11.5172 11.5172 11.5297 11.5297 11.9269 11.9269 k = 0.2355 0.1359 0.3845 ( 4407 PWs) bands (ev): -24.8072 -24.8072 -24.7334 -24.7334 -12.5094 -12.5094 -11.8066 -11.8066 -11.4721 -11.4721 -11.4641 -11.4641 -8.5754 -8.5754 -8.4486 -8.4486 -8.3497 -8.3497 -8.1598 -8.1598 -8.0534 -8.0534 -7.9863 -7.9863 -0.9002 -0.9002 0.7300 0.7300 1.2830 1.2830 1.3905 1.3905 2.3696 2.3696 2.6614 2.6614 2.8910 2.8910 3.2375 3.2375 3.4400 3.4400 3.9382 3.9382 4.2371 4.2371 4.6487 4.6487 9.8817 9.8817 10.9740 10.9740 11.4930 11.4930 11.5758 11.5758 11.9602 11.9602 k = 0.2267 0.1309 0.3703 ( 4415 PWs) bands (ev): -24.8090 -24.8090 -24.7316 -24.7316 -12.5239 -12.5239 -11.7869 -11.7869 -11.4718 -11.4718 -11.4635 -11.4635 -8.5768 -8.5768 -8.4462 -8.4462 -8.3505 -8.3505 -8.1632 -8.1632 -8.0510 -8.0510 -7.9887 -7.9887 -0.9420 -0.9420 0.7529 0.7529 1.2639 1.2639 1.3713 1.3713 2.4101 2.4101 2.6523 2.6523 2.8744 2.8744 3.2344 3.2344 3.4384 3.4384 3.9841 3.9841 4.2705 4.2705 4.6603 4.6603 9.7880 9.7880 10.9971 10.9971 11.4702 11.4702 11.6219 11.6219 11.9939 11.9939 k = 0.2180 0.1259 0.3560 ( 4417 PWs) bands (ev): -24.8109 -24.8109 -24.7298 -24.7298 -12.5381 -12.5381 -11.7673 -11.7673 -11.4715 -11.4715 -11.4628 -11.4628 -8.5781 -8.5781 -8.4438 -8.4438 -8.3511 -8.3511 -8.1669 -8.1669 -8.0485 -8.0485 -7.9912 -7.9912 -0.9836 -0.9836 0.7740 0.7740 1.2452 1.2452 1.3515 1.3515 2.4535 2.4535 2.6431 2.6431 2.8540 2.8540 3.2363 3.2363 3.4370 3.4370 4.0300 4.0300 4.3037 4.3037 4.6715 4.6715 9.6935 9.6935 11.0220 11.0220 11.4488 11.4488 11.6663 11.6663 12.0281 12.0281 k = 0.2093 0.1208 0.3418 ( 4409 PWs) bands (ev): -24.8127 -24.8127 -24.7280 -24.7280 -12.5520 -12.5520 -11.7477 -11.7477 -11.4711 -11.4711 -11.4622 -11.4622 -8.5794 -8.5794 -8.4413 -8.4413 -8.3513 -8.3513 -8.1709 -8.1709 -8.0461 -8.0461 -7.9937 -7.9937 -1.0249 -1.0249 0.7935 0.7935 1.2268 1.2268 1.3312 1.3312 2.4997 2.4997 2.6339 2.6339 2.8310 2.8310 3.2419 3.2419 3.4358 3.4358 4.0758 4.0758 4.3366 4.3366 4.6824 4.6824 9.5986 9.5986 11.0484 11.0484 11.4292 11.4292 11.7067 11.7067 12.0630 12.0630 k = 0.2006 0.1158 0.3275 ( 4409 PWs) bands (ev): -24.8145 -24.8145 -24.7262 -24.7262 -12.5657 -12.5657 -11.7283 -11.7283 -11.4706 -11.4706 -11.4617 -11.4617 -8.5806 -8.5806 -8.4386 -8.4386 -8.3513 -8.3513 -8.1752 -8.1752 -8.0439 -8.0439 -7.9964 -7.9964 -1.0657 -1.0657 0.8115 0.8115 1.2088 1.2088 1.3104 1.3104 2.5481 2.5481 2.6246 2.6246 2.8066 2.8066 3.2503 3.2503 3.4348 3.4348 4.1214 4.1214 4.3693 4.3693 4.6930 4.6930 9.5037 9.5037 11.0759 11.0759 11.4112 11.4112 11.7394 11.7394 12.0961 12.0961 k = 0.1919 0.1108 0.3133 ( 4415 PWs) bands (ev): -24.8163 -24.8163 -24.7244 -24.7244 -12.5790 -12.5790 -11.7091 -11.7091 -11.4702 -11.4702 -11.4612 -11.4612 -8.5818 -8.5818 -8.4359 -8.4359 -8.3511 -8.3511 -8.1797 -8.1797 -8.0419 -8.0419 -7.9992 -7.9992 -1.1060 -1.1060 0.8280 0.8280 1.1913 1.1913 1.2894 1.2894 2.5984 2.5984 2.6154 2.6154 2.7817 2.7817 3.2603 3.2603 3.4340 3.4340 4.1668 4.1668 4.4014 4.4014 4.7031 4.7031 9.4092 9.4092 11.1039 11.1039 11.3951 11.3951 11.7601 11.7601 12.1060 12.1061 k = 0.1831 0.1057 0.2991 ( 4417 PWs) bands (ev): -24.8180 -24.8180 -24.7227 -24.7227 -12.5919 -12.5919 -11.6902 -11.6902 -11.4697 -11.4697 -11.4608 -11.4608 -8.5828 -8.5828 -8.4329 -8.4329 -8.3506 -8.3506 -8.1845 -8.1845 -8.0401 -8.0401 -8.0020 -8.0020 -1.1455 -1.1455 0.8433 0.8433 1.1743 1.1743 1.2682 1.2682 2.6063 2.6063 2.6503 2.6503 2.7568 2.7568 3.2715 3.2715 3.4333 3.4333 4.2118 4.2118 4.4331 4.4331 4.7129 4.7129 9.3154 9.3154 11.1321 11.1321 11.3808 11.3808 11.7665 11.7665 12.1299 12.1299 k = 0.1744 0.1007 0.2848 ( 4407 PWs) bands (ev): -24.8197 -24.8197 -24.7211 -24.7211 -12.6044 -12.6044 -11.6716 -11.6716 -11.4691 -11.4691 -11.4604 -11.4604 -8.5837 -8.5837 -8.4298 -8.4298 -8.3499 -8.3499 -8.1895 -8.1895 -8.0386 -8.0386 -8.0049 -8.0049 -1.1842 -1.1842 0.8574 0.8574 1.1579 1.1579 1.2469 1.2469 2.5972 2.5972 2.7033 2.7033 2.7325 2.7325 3.2832 3.2832 3.4328 3.4328 4.2564 4.2564 4.4641 4.4641 4.7223 4.7223 9.2227 9.2227 11.1600 11.1600 11.3684 11.3684 11.7597 11.7597 12.1689 12.1689 k = 0.1657 0.0957 0.2706 ( 4419 PWs) bands (ev): -24.8214 -24.8214 -24.7195 -24.7195 -12.6165 -12.6165 -11.6534 -11.6534 -11.4685 -11.4685 -11.4600 -11.4600 -8.5846 -8.5846 -8.4265 -8.4265 -8.3490 -8.3490 -8.1946 -8.1946 -8.0374 -8.0374 -8.0078 -8.0078 -1.2219 -1.2219 0.8704 0.8704 1.1421 1.1421 1.2258 1.2258 2.5883 2.5883 2.7089 2.7089 2.7571 2.7571 3.2952 3.2952 3.4324 3.4324 4.3005 4.3005 4.4944 4.4944 4.7313 4.7313 9.1315 9.1315 11.1869 11.1869 11.3578 11.3578 11.7432 11.7432 12.2195 12.2195 k = 0.1570 0.0906 0.2563 ( 4415 PWs) bands (ev): -24.8230 -24.8230 -24.7179 -24.7179 -12.6281 -12.6281 -11.6357 -11.6357 -11.4679 -11.4679 -11.4597 -11.4597 -8.5854 -8.5854 -8.4230 -8.4230 -8.3480 -8.3480 -8.2000 -8.2000 -8.0364 -8.0364 -8.0107 -8.0107 -1.2586 -1.2586 0.8825 0.8825 1.1269 1.1269 1.2048 1.2048 2.5795 2.5795 2.6863 2.6863 2.8111 2.8111 3.3073 3.3073 3.4321 3.4321 4.3439 4.3439 4.5239 4.5239 4.7399 4.7399 9.0421 9.0421 11.2125 11.2125 11.3491 11.3491 11.7204 11.7204 12.2785 12.2785 k = 0.1483 0.0856 0.2421 ( 4421 PWs) bands (ev): -24.8245 -24.8245 -24.7164 -24.7164 -12.6393 -12.6393 -11.6185 -11.6185 -11.4672 -11.4672 -11.4594 -11.4594 -8.5860 -8.5860 -8.4193 -8.4193 -8.3468 -8.3468 -8.2055 -8.2055 -8.0357 -8.0357 -8.0136 -8.0136 -1.2941 -1.2941 0.8937 0.8937 1.1123 1.1123 1.1843 1.1843 2.5709 2.5709 2.6648 2.6648 2.8651 2.8651 3.3192 3.3192 3.4320 3.4320 4.3865 4.3865 4.5525 4.5525 4.7481 4.7481 8.9548 8.9548 11.2364 11.2364 11.3421 11.3421 11.6940 11.6940 12.3432 12.3432 k = 0.1395 0.0806 0.2279 ( 4419 PWs) bands (ev): -24.8260 -24.8260 -24.7149 -24.7149 -12.6499 -12.6499 -11.6019 -11.6019 -11.4666 -11.4666 -11.4591 -11.4591 -8.5866 -8.5866 -8.4153 -8.4153 -8.3454 -8.3454 -8.2112 -8.2112 -8.0353 -8.0353 -8.0165 -8.0165 -1.3282 -1.3282 0.9041 0.9041 1.0984 1.0984 1.1642 1.1642 2.5625 2.5625 2.6444 2.6444 2.9186 2.9186 3.3307 3.3307 3.4320 3.4320 4.4282 4.4282 4.5801 4.5801 4.7558 4.7558 8.8701 8.8701 11.2583 11.2583 11.3368 11.3368 11.6655 11.6655 12.3887 12.3887 k = 0.1308 0.0755 0.2136 ( 4415 PWs) bands (ev): -24.8274 -24.8274 -24.7135 -24.7135 -12.6600 -12.6600 -11.5859 -11.5859 -11.4659 -11.4659 -11.4589 -11.4589 -8.5870 -8.5870 -8.4110 -8.4110 -8.3440 -8.3440 -8.2171 -8.2171 -8.0351 -8.0351 -8.0193 -8.0193 -1.3610 -1.3610 0.9139 0.9139 1.0853 1.0853 1.1447 1.1447 2.5544 2.5544 2.6253 2.6253 2.9712 2.9712 3.3419 3.3419 3.4320 3.4320 4.4687 4.4687 4.6066 4.6066 4.7632 4.7632 8.7881 8.7881 11.2778 11.2778 11.3331 11.3331 11.6361 11.6361 12.4326 12.4326 k = 0.1221 0.0705 0.1994 ( 4415 PWs) bands (ev): -24.8287 -24.8287 -24.7122 -24.7122 -12.6696 -12.6696 -11.5706 -11.5706 -11.4652 -11.4652 -11.4587 -11.4587 -8.5874 -8.5874 -8.4065 -8.4065 -8.3426 -8.3426 -8.2232 -8.2232 -8.0352 -8.0352 -8.0220 -8.0220 -1.3922 -1.3922 0.9229 0.9229 1.0728 1.0728 1.1259 1.1259 2.5466 2.5466 2.6074 2.6074 3.0226 3.0226 3.3525 3.3525 3.4322 3.4322 4.5080 4.5080 4.6319 4.6319 4.7701 4.7701 8.7094 8.7094 11.2949 11.2949 11.3309 11.3309 11.6065 11.6065 12.4737 12.4737 k = 0.1134 0.0655 0.1851 ( 4423 PWs) bands (ev): -24.8300 -24.8300 -24.7110 -24.7110 -12.6786 -12.6786 -11.5561 -11.5561 -11.4645 -11.4645 -11.4585 -11.4585 -8.5877 -8.5877 -8.4018 -8.4018 -8.3410 -8.3410 -8.2294 -8.2294 -8.0355 -8.0355 -8.0247 -8.0247 -1.4218 -1.4218 0.9313 0.9313 1.0611 1.0611 1.1080 1.1080 2.5391 2.5391 2.5908 2.5908 3.0722 3.0722 3.3626 3.3626 3.4325 3.4325 4.5457 4.5457 4.6559 4.6559 4.7766 4.7766 8.6341 8.6341 11.3093 11.3093 11.3301 11.3301 11.5772 11.5772 12.5093 12.5093 k = 0.1047 0.0604 0.1709 ( 4431 PWs) bands (ev): -24.8312 -24.8312 -24.7098 -24.7098 -12.6870 -12.6870 -11.5424 -11.5424 -11.4638 -11.4638 -11.4583 -11.4583 -8.5880 -8.5880 -8.3968 -8.3968 -8.3395 -8.3395 -8.2357 -8.2357 -8.0360 -8.0360 -8.0272 -8.0272 -1.4497 -1.4497 0.9392 0.9392 1.0502 1.0502 1.0910 1.0910 2.5320 2.5320 2.5754 2.5754 3.1200 3.1200 3.3720 3.3720 3.4328 3.4328 4.5819 4.5819 4.6786 4.6786 4.7827 4.7827 8.5626 8.5626 11.3208 11.3208 11.3311 11.3311 11.5486 11.5486 12.5365 12.5365 k = 0.0959 0.0554 0.1567 ( 4435 PWs) bands (ev): -24.8323 -24.8323 -24.7087 -24.7087 -12.6948 -12.6948 -11.5296 -11.5296 -11.4632 -11.4632 -11.4582 -11.4582 -8.5881 -8.5881 -8.3916 -8.3916 -8.3380 -8.3380 -8.2422 -8.2422 -8.0366 -8.0366 -8.0296 -8.0296 -1.4757 -1.4757 0.9464 0.9464 1.0401 1.0401 1.0750 1.0750 2.5253 2.5253 2.5613 2.5613 3.1653 3.1653 3.3808 3.3808 3.4333 3.4333 4.6161 4.6161 4.6998 4.6998 4.7883 4.7883 8.4953 8.4953 11.3280 11.3280 11.3351 11.3351 11.5212 11.5212 12.5539 12.5539 k = 0.0872 0.0504 0.1424 ( 4431 PWs) bands (ev): -24.8333 -24.8333 -24.7077 -24.7077 -12.7020 -12.7020 -11.5178 -11.5178 -11.4626 -11.4626 -11.4581 -11.4581 -8.5882 -8.5882 -8.3861 -8.3861 -8.3365 -8.3365 -8.2488 -8.2488 -8.0373 -8.0373 -8.0319 -8.0319 -1.4998 -1.4998 0.9530 0.9530 1.0309 1.0309 1.0602 1.0602 2.5191 2.5191 2.5484 2.5484 3.2079 3.2079 3.3888 3.3888 3.4339 3.4339 4.6483 4.6483 4.7195 4.7195 4.7935 4.7935 8.4325 8.4325 11.3315 11.3315 11.3414 11.3414 11.4952 11.4952 12.5623 12.5624 k = 0.0785 0.0453 0.1282 ( 4427 PWs) bands (ev): -24.8343 -24.8343 -24.7068 -24.7068 -12.7085 -12.7085 -11.5069 -11.5069 -11.4620 -11.4620 -11.4579 -11.4579 -8.5883 -8.5883 -8.3804 -8.3804 -8.3350 -8.3350 -8.2555 -8.2555 -8.0381 -8.0381 -8.0339 -8.0339 -1.5218 -1.5218 0.9591 0.9591 1.0224 1.0224 1.0466 1.0466 2.5133 2.5133 2.5368 2.5368 3.2475 3.2475 3.3961 3.3961 3.4346 3.4346 4.6782 4.6782 4.7375 4.7375 4.7982 4.7982 8.3745 8.3745 11.3345 11.3345 11.3470 11.3470 11.4708 11.4708 12.5641 12.5645 k = 0.0698 0.0403 0.1139 ( 4427 PWs) bands (ev): -24.8351 -24.8351 -24.7060 -24.7060 -12.7144 -12.7144 -11.4970 -11.4970 -11.4615 -11.4615 -11.4578 -11.4578 -8.5883 -8.5883 -8.3745 -8.3745 -8.3337 -8.3337 -8.2623 -8.2623 -8.0390 -8.0390 -8.0359 -8.0359 -1.5418 -1.5418 0.9646 0.9646 1.0148 1.0148 1.0343 1.0343 2.5081 2.5081 2.5264 2.5264 3.2836 3.2836 3.4027 3.4027 3.4355 3.4355 4.7056 4.7056 4.7540 4.7540 4.8025 4.8025 8.3216 8.3216 11.3376 11.3376 11.3513 11.3513 11.4484 11.4484 12.5621 12.5657 k = 0.0610 0.0352 0.0997 ( 4423 PWs) bands (ev): -24.8359 -24.8359 -24.7052 -24.7052 -12.7197 -12.7197 -11.4882 -11.4882 -11.4610 -11.4610 -11.4576 -11.4576 -8.5883 -8.5883 -8.3683 -8.3683 -8.3324 -8.3324 -8.2692 -8.2692 -8.0398 -8.0398 -8.0376 -8.0376 -1.5596 -1.5596 0.9694 0.9694 1.0081 1.0081 1.0233 1.0233 2.5034 2.5034 2.5173 2.5173 3.3160 3.3160 3.4086 3.4086 3.4365 3.4365 4.7302 4.7302 4.7687 4.7687 4.8065 4.8065 8.2741 8.2741 11.3409 11.3409 11.3544 11.3544 11.4281 11.4281 12.5579 12.5691 k = 0.0523 0.0302 0.0854 ( 4423 PWs) bands (ev): -24.8365 -24.8365 -24.7046 -24.7046 -12.7242 -12.7242 -11.4806 -11.4806 -11.4606 -11.4606 -11.4575 -11.4575 -8.5882 -8.5882 -8.3621 -8.3621 -8.3312 -8.3312 -8.2762 -8.2762 -8.0407 -8.0407 -8.0391 -8.0391 -1.5752 -1.5752 0.9736 0.9736 1.0022 1.0022 1.0137 1.0137 2.4992 2.4992 2.5094 2.5094 3.3442 3.3442 3.4139 3.4139 3.4376 3.4376 4.7517 4.7517 4.7816 4.7816 4.8100 4.8100 8.2323 8.2323 11.3441 11.3441 11.3565 11.3565 11.4101 11.4101 12.5536 12.5612 k = 0.0436 0.0252 0.0712 ( 4419 PWs) bands (ev): -24.8371 -24.8371 -24.7041 -24.7041 -12.7281 -12.7281 -11.4741 -11.4741 -11.4602 -11.4602 -11.4574 -11.4574 -8.5882 -8.5882 -8.3556 -8.3556 -8.3303 -8.3303 -8.2831 -8.2831 -8.0414 -8.0414 -8.0404 -8.0404 -1.5885 -1.5885 0.9772 0.9772 0.9972 0.9972 1.0055 1.0055 2.4957 2.4957 2.5027 2.5027 3.3676 3.3676 3.4190 3.4190 3.4388 3.4388 4.7699 4.7699 4.7929 4.7929 4.8132 4.8132 8.1965 8.1965 11.3469 11.3469 11.3579 11.3579 11.3947 11.3947 12.5485 12.5520 k = 0.0349 0.0201 0.0570 ( 4421 PWs) bands (ev): -24.8375 -24.8375 -24.7036 -24.7036 -12.7313 -12.7313 -11.4688 -11.4688 -11.4598 -11.4598 -11.4572 -11.4572 -8.5882 -8.5882 -8.3491 -8.3491 -8.3294 -8.3294 -8.2901 -8.2901 -8.0421 -8.0421 -8.0415 -8.0415 -1.5994 -1.5994 0.9800 0.9800 0.9931 0.9931 0.9989 0.9989 2.4928 2.4928 2.4972 2.4972 3.3856 3.3856 3.4243 3.4243 3.4400 3.4400 4.7843 4.7843 4.8026 4.8026 4.8162 4.8162 8.1668 8.1668 11.3492 11.3492 11.3590 11.3590 11.3820 11.3820 12.5443 12.5467 k = 0.0262 0.0151 0.0427 ( 4439 PWs) bands (ev): -24.8379 -24.8379 -24.7033 -24.7033 -12.7337 -12.7337 -11.4650 -11.4650 -11.4592 -11.4592 -11.4571 -11.4571 -8.5882 -8.5882 -8.3426 -8.3426 -8.3288 -8.3288 -8.2970 -8.2970 -8.0426 -8.0426 -8.0423 -8.0423 -1.6079 -1.6079 0.9819 0.9819 0.9900 0.9900 0.9939 0.9939 2.4905 2.4905 2.4930 2.4930 3.3977 3.3977 3.4305 3.4305 3.4412 3.4412 4.7946 4.7946 4.8109 4.8109 4.8188 4.8188 8.1435 8.1435 11.3506 11.3506 11.3598 11.3598 11.3723 11.3723 12.5405 12.5419 k = 0.0174 0.0101 0.0285 ( 4451 PWs) bands (ev): -24.8382 -24.8382 -24.7031 -24.7031 -12.7355 -12.7355 -11.4627 -11.4627 -11.4584 -11.4584 -11.4570 -11.4570 -8.5882 -8.5882 -8.3363 -8.3363 -8.3283 -8.3283 -8.3037 -8.3037 -8.0431 -8.0431 -8.0429 -8.0429 -1.6141 -1.6141 0.9826 0.9826 0.9883 0.9883 0.9905 0.9905 2.4888 2.4888 2.4899 2.4899 3.4046 3.4046 3.4366 3.4366 3.4421 3.4421 4.8011 4.8011 4.8174 4.8174 4.8210 4.8210 8.1268 8.1268 11.3510 11.3510 11.3606 11.3606 11.3657 11.3657 12.5379 12.5388 k = 0.0087 0.0050 0.0142 ( 4477 PWs) bands (ev): -24.8383 -24.8383 -24.7030 -24.7030 -12.7366 -12.7366 -11.4617 -11.4617 -11.4575 -11.4575 -11.4570 -11.4570 -8.5882 -8.5882 -8.3307 -8.3307 -8.3281 -8.3281 -8.3094 -8.3094 -8.0433 -8.0433 -8.0433 -8.0433 -1.6178 -1.6178 0.9823 0.9823 0.9879 0.9879 0.9886 0.9886 2.4878 2.4878 2.4881 2.4881 3.4079 3.4079 3.4412 3.4412 3.4427 3.4427 4.8045 4.8045 4.8216 4.8216 4.8226 4.8226 8.1166 8.1166 11.3506 11.3506 11.3611 11.3611 11.3623 11.3623 12.5362 12.5363 k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -24.8384 -24.8384 -24.7029 -24.7029 -12.7369 -12.7369 -11.4614 -11.4614 -11.4571 -11.4571 -11.4569 -11.4569 -8.5882 -8.5882 -8.3280 -8.3280 -8.3280 -8.3280 -8.3122 -8.3122 -8.0434 -8.0434 -8.0434 -8.0434 -1.6190 -1.6190 0.9820 0.9820 0.9879 0.9879 0.9880 0.9880 2.4875 2.4875 2.4875 2.4875 3.4088 3.4088 3.4428 3.4428 3.4429 3.4429 4.8055 4.8055 4.8230 4.8230 4.8232 4.8232 8.1133 8.1133 11.3503 11.3503 11.3613 11.3613 11.3613 11.3613 12.5356 12.5356 k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -24.8384 -24.8384 -24.7029 -24.7029 -12.7369 -12.7369 -11.4614 -11.4614 -11.4571 -11.4571 -11.4569 -11.4569 -8.5882 -8.5882 -8.3280 -8.3280 -8.3280 -8.3280 -8.3122 -8.3122 -8.0434 -8.0434 -8.0434 -8.0434 -1.6190 -1.6190 0.9820 0.9820 0.9879 0.9879 0.9880 0.9880 2.4875 2.4875 2.4875 2.4875 3.4088 3.4088 3.4428 3.4428 3.4429 3.4429 4.8055 4.8055 4.8230 4.8230 4.8232 4.8232 8.1133 8.1133 11.3503 11.3503 11.3613 11.3613 11.3613 11.3613 12.5356 12.5356 k = 0.0143 0.0082 0.0058 ( 4477 PWs) bands (ev): -24.8383 -24.8383 -24.7030 -24.7030 -12.7366 -12.7366 -11.4617 -11.4617 -11.4574 -11.4574 -11.4570 -11.4570 -8.5882 -8.5882 -8.3307 -8.3307 -8.3281 -8.3281 -8.3094 -8.3094 -8.0433 -8.0433 -8.0433 -8.0433 -1.6178 -1.6178 0.9823 0.9823 0.9880 0.9880 0.9885 0.9885 2.4880 2.4880 2.4880 2.4880 3.4078 3.4078 3.4411 3.4411 3.4427 3.4427 4.8045 4.8045 4.8216 4.8216 4.8226 4.8226 8.1167 8.1167 11.3507 11.3507 11.3615 11.3615 11.3618 11.3618 12.5363 12.5363 k = 0.0286 0.0165 0.0117 ( 4453 PWs) bands (ev): -24.8382 -24.8382 -24.7031 -24.7031 -12.7355 -12.7355 -11.4626 -11.4626 -11.4584 -11.4584 -11.4571 -11.4571 -8.5882 -8.5882 -8.3362 -8.3362 -8.3284 -8.3284 -8.3036 -8.3036 -8.0431 -8.0431 -8.0429 -8.0429 -1.6140 -1.6140 0.9828 0.9828 0.9885 0.9885 0.9902 0.9902 2.4894 2.4894 2.4894 2.4894 3.4045 3.4045 3.4365 3.4365 3.4422 3.4422 4.8010 4.8010 4.8169 4.8169 4.8215 4.8215 8.1268 8.1268 11.3517 11.3517 11.3623 11.3623 11.3634 11.3634 12.5383 12.5384 k = 0.0429 0.0247 0.0175 ( 4435 PWs) bands (ev): -24.8379 -24.8379 -24.7033 -24.7033 -12.7337 -12.7337 -11.4649 -11.4649 -11.4592 -11.4592 -11.4572 -11.4572 -8.5882 -8.5882 -8.3425 -8.3425 -8.3290 -8.3290 -8.2969 -8.2969 -8.0426 -8.0426 -8.0423 -8.0423 -1.6079 -1.6079 0.9827 0.9827 0.9903 0.9903 0.9929 0.9929 2.4917 2.4917 2.4918 2.4918 3.3971 3.3971 3.4306 3.4306 3.4415 3.4415 4.7945 4.7945 4.8092 4.8092 4.8204 4.8204 8.1437 8.1437 11.3534 11.3534 11.3634 11.3634 11.3659 11.3659 12.5417 12.5417 k = 0.0571 0.0330 0.0233 ( 4426 PWs) bands (ev): -24.8375 -24.8375 -24.7036 -24.7036 -12.7312 -12.7312 -11.4689 -11.4689 -11.4597 -11.4597 -11.4573 -11.4573 -8.5882 -8.5882 -8.3489 -8.3489 -8.3299 -8.3299 -8.2899 -8.2899 -8.0421 -8.0421 -8.0415 -8.0415 -1.5993 -1.5993 0.9816 0.9816 0.9937 0.9937 0.9968 0.9968 2.4949 2.4949 2.4952 2.4952 3.3840 3.3840 3.4253 3.4253 3.4405 3.4405 4.7847 4.7847 4.7984 4.7984 4.8196 4.8196 8.1671 8.1671 11.3556 11.3556 11.3652 11.3652 11.3694 11.3694 12.5461 12.5462 k = 0.0714 0.0412 0.0292 ( 4414 PWs) bands (ev): -24.8371 -24.8371 -24.7041 -24.7041 -12.7280 -12.7280 -11.4743 -11.4743 -11.4600 -11.4600 -11.4574 -11.4574 -8.5882 -8.5882 -8.3553 -8.3553 -8.3309 -8.3309 -8.2828 -8.2828 -8.0414 -8.0414 -8.0404 -8.0404 -1.5883 -1.5883 0.9799 0.9799 0.9984 0.9984 1.0017 1.0017 2.4991 2.4991 2.4995 2.4995 3.3646 3.3646 3.4213 3.4213 3.4391 3.4391 4.7716 4.7716 4.7847 4.7847 4.8192 4.8192 8.1970 8.1970 11.3583 11.3583 11.3675 11.3675 11.3737 11.3737 12.5516 12.5518 k = 0.0857 0.0495 0.0350 ( 4423 PWs) bands (ev): -24.8365 -24.8365 -24.7046 -24.7046 -12.7242 -12.7242 -11.4809 -11.4809 -11.4603 -11.4603 -11.4575 -11.4575 -8.5883 -8.5883 -8.3615 -8.3615 -8.3322 -8.3322 -8.2757 -8.2757 -8.0406 -8.0406 -8.0391 -8.0391 -1.5750 -1.5750 0.9776 0.9776 1.0044 1.0044 1.0077 1.0077 2.5042 2.5042 2.5048 2.5048 3.3397 3.3397 3.4180 3.4180 3.4374 3.4374 4.7555 4.7555 4.7682 4.7682 4.8190 4.8190 8.2330 8.2330 11.3615 11.3615 11.3704 11.3704 11.3784 11.3784 12.5579 12.5580 k = 0.1000 0.0577 0.0408 ( 4429 PWs) bands (ev): -24.8359 -24.8359 -24.7053 -24.7053 -12.7196 -12.7196 -11.4887 -11.4887 -11.4605 -11.4605 -11.4577 -11.4577 -8.5883 -8.5883 -8.3676 -8.3676 -8.3337 -8.3337 -8.2686 -8.2686 -8.0398 -8.0398 -8.0377 -8.0377 -1.5594 -1.5594 0.9749 0.9749 1.0114 1.0114 1.0147 1.0147 2.5102 2.5102 2.5110 2.5110 3.3099 3.3099 3.4151 3.4151 3.4354 3.4354 4.7366 4.7366 4.7490 4.7490 4.8190 4.8190 8.2750 8.2750 11.3654 11.3654 11.3740 11.3740 11.3832 11.3832 12.5648 12.5650 k = 0.1143 0.0660 0.0467 ( 4429 PWs) bands (ev): -24.8351 -24.8351 -24.7060 -24.7060 -12.7144 -12.7144 -11.4977 -11.4977 -11.4608 -11.4608 -11.4579 -11.4579 -8.5883 -8.5883 -8.3734 -8.3734 -8.3354 -8.3354 -8.2616 -8.2616 -8.0389 -8.0389 -8.0360 -8.0360 -1.5416 -1.5416 0.9719 0.9719 1.0194 1.0194 1.0226 1.0226 2.5172 2.5172 2.5181 2.5181 3.2759 3.2759 3.4121 3.4121 3.4330 3.4330 4.7150 4.7150 4.7272 4.7272 4.8190 4.8190 8.3228 8.3228 11.3699 11.3699 11.3784 11.3784 11.3875 11.3875 12.5718 12.5721 k = 0.1286 0.0742 0.0525 ( 4423 PWs) bands (ev): -24.8343 -24.8343 -24.7068 -24.7068 -12.7085 -12.7085 -11.5077 -11.5077 -11.4610 -11.4610 -11.4581 -11.4581 -8.5883 -8.5883 -8.3790 -8.3790 -8.3372 -8.3372 -8.2546 -8.2546 -8.0380 -8.0380 -8.0342 -8.0342 -1.5217 -1.5217 0.9686 0.9686 1.0284 1.0284 1.0314 1.0314 2.5250 2.5250 2.5262 2.5262 3.2380 3.2380 3.4090 3.4090 3.4303 3.4303 4.6909 4.6909 4.7029 4.7029 4.8192 4.8192 8.3759 8.3759 11.3750 11.3750 11.3837 11.3837 11.3907 11.3907 12.5786 12.5790 k = 0.1429 0.0825 0.0583 ( 4432 PWs) bands (ev): -24.8333 -24.8333 -24.7077 -24.7077 -12.7020 -12.7020 -11.5187 -11.5187 -11.4613 -11.4613 -11.4583 -11.4583 -8.5883 -8.5883 -8.3843 -8.3843 -8.3392 -8.3392 -8.2477 -8.2477 -8.0372 -8.0372 -8.0323 -8.0323 -1.4998 -1.4998 0.9651 0.9651 1.0382 1.0382 1.0411 1.0411 2.5338 2.5338 2.5353 2.5353 3.1967 3.1967 3.4056 3.4056 3.4271 3.4271 4.6646 4.6646 4.6764 4.6764 4.8194 4.8194 8.4342 8.4342 11.3804 11.3804 11.3899 11.3899 11.3927 11.3927 12.5850 12.5857 k = 0.1571 0.0907 0.0642 ( 4429 PWs) bands (ev): -24.8323 -24.8323 -24.7087 -24.7087 -12.6950 -12.6950 -11.5306 -11.5306 -11.4615 -11.4615 -11.4586 -11.4586 -8.5883 -8.5883 -8.3893 -8.3893 -8.3413 -8.3413 -8.2409 -8.2409 -8.0364 -8.0364 -8.0302 -8.0302 -1.4760 -1.4760 0.9614 0.9614 1.0489 1.0489 1.0516 1.0516 2.5434 2.5434 2.5453 2.5453 3.1524 3.1524 3.4019 3.4019 3.4236 3.4236 4.6362 4.6362 4.6479 4.6479 4.8197 4.8197 8.4973 8.4973 11.3842 11.3842 11.3946 11.3946 11.3971 11.3971 12.5904 12.5911 k = 0.1714 0.0990 0.0700 ( 4429 PWs) bands (ev): -24.8312 -24.8312 -24.7098 -24.7098 -12.6873 -12.6873 -11.5434 -11.5434 -11.4618 -11.4618 -11.4589 -11.4589 -8.5882 -8.5882 -8.3939 -8.3939 -8.3435 -8.3435 -8.2341 -8.2341 -8.0357 -8.0357 -8.0280 -8.0280 -1.4503 -1.4503 0.9576 0.9576 1.0604 1.0604 1.0629 1.0629 2.5540 2.5540 2.5562 2.5562 3.1055 3.1055 3.3977 3.3977 3.4196 3.4196 4.6060 4.6060 4.6176 4.6176 4.8200 4.8200 8.5649 8.5649 11.3817 11.3817 11.4005 11.4005 11.4054 11.4054 12.5337 12.5338 k = 0.1857 0.1072 0.0758 ( 4420 PWs) bands (ev): -24.8300 -24.8300 -24.7110 -24.7110 -12.6791 -12.6791 -11.5570 -11.5570 -11.4621 -11.4621 -11.4591 -11.4591 -8.5881 -8.5881 -8.3983 -8.3983 -8.3458 -8.3458 -8.2275 -8.2275 -8.0352 -8.0352 -8.0257 -8.0257 -1.4231 -1.4231 0.9537 0.9537 1.0725 1.0725 1.0748 1.0748 2.5655 2.5655 2.5681 2.5681 3.0562 3.0562 3.3931 3.3931 3.4151 3.4151 4.5742 4.5742 4.5856 4.5856 4.8204 4.8204 8.6367 8.6367 11.3730 11.3730 11.4093 11.4093 11.4149 11.4149 12.4508 12.4508 k = 0.2000 0.1155 0.0816 ( 4417 PWs) bands (ev): -24.8288 -24.8288 -24.7122 -24.7122 -12.6703 -12.6703 -11.5713 -11.5713 -11.4624 -11.4624 -11.4594 -11.4594 -8.5880 -8.5880 -8.4022 -8.4022 -8.3482 -8.3482 -8.2209 -8.2209 -8.0349 -8.0349 -8.0234 -8.0234 -1.3943 -1.3943 0.9498 0.9498 1.0852 1.0852 1.0872 1.0872 2.5780 2.5780 2.5809 2.5809 3.0051 3.0051 3.3880 3.3880 3.4100 3.4100 4.5409 4.5409 4.5523 4.5523 4.8207 4.8207 8.7123 8.7123 11.3589 11.3589 11.4200 11.4200 11.4257 11.4257 12.3727 12.3727 k = 0.2143 0.1237 0.0875 ( 4426 PWs) bands (ev): -24.8275 -24.8275 -24.7135 -24.7135 -12.6611 -12.6611 -11.5862 -11.5862 -11.4627 -11.4627 -11.4597 -11.4597 -8.5879 -8.5879 -8.4058 -8.4058 -8.3506 -8.3506 -8.2145 -8.2145 -8.0348 -8.0348 -8.0210 -8.0210 -1.3642 -1.3642 0.9460 0.9460 1.0984 1.0984 1.1002 1.1002 2.5913 2.5913 2.5946 2.5946 2.9524 2.9524 3.3824 3.3824 3.4044 3.4044 4.5066 4.5066 4.5178 4.5178 4.8211 4.8211 8.7915 8.7915 11.3390 11.3390 11.4320 11.4320 11.4378 11.4378 12.2997 12.2997 k = 0.2286 0.1320 0.0933 ( 4426 PWs) bands (ev): -24.8261 -24.8261 -24.7148 -24.7148 -12.6515 -12.6515 -11.6017 -11.6017 -11.4630 -11.4630 -11.4600 -11.4600 -8.5877 -8.5877 -8.4090 -8.4090 -8.3531 -8.3531 -8.2082 -8.2082 -8.0350 -8.0350 -8.0186 -8.0186 -1.3329 -1.3329 0.9422 0.9422 1.1120 1.1120 1.1135 1.1135 2.6055 2.6055 2.6093 2.6093 2.8985 2.8985 3.3761 3.3761 3.3982 3.3982 4.4714 4.4714 4.4825 4.4825 4.8215 4.8215 8.8739 8.8739 11.3132 11.3132 11.4456 11.4456 11.4513 11.4513 12.2316 12.2316 k = 0.2429 0.1402 0.0991 ( 4414 PWs) bands (ev): -24.8247 -24.8247 -24.7162 -24.7162 -12.6414 -12.6414 -11.6176 -11.6176 -11.4633 -11.4633 -11.4603 -11.4603 -8.5875 -8.5875 -8.4118 -8.4118 -8.3555 -8.3555 -8.2019 -8.2019 -8.0354 -8.0354 -8.0162 -8.0162 -1.3007 -1.3007 0.9385 0.9385 1.1260 1.1260 1.1272 1.1272 2.6207 2.6207 2.6249 2.6249 2.8439 2.8439 3.3692 3.3692 3.3912 3.3912 4.4356 4.4356 4.4466 4.4466 4.8219 4.8219 8.9592 8.9592 11.2817 11.2817 11.4607 11.4607 11.4663 11.4663 12.1682 12.1682 k = 0.2571 0.1485 0.1050 ( 4411 PWs) bands (ev): -24.8232 -24.8232 -24.7176 -24.7176 -12.6310 -12.6310 -11.6338 -11.6338 -11.4636 -11.4636 -11.4607 -11.4607 -8.5874 -8.5874 -8.4143 -8.4143 -8.3579 -8.3579 -8.1958 -8.1958 -8.0362 -8.0362 -8.0138 -8.0138 -1.2677 -1.2677 0.9350 0.9350 1.1401 1.1401 1.1410 1.1410 2.6367 2.6367 2.6414 2.6414 2.7888 2.7888 3.3615 3.3615 3.3835 3.3835 4.3995 4.3995 4.4104 4.4104 4.8223 4.8223 9.0471 9.0471 11.2449 11.2449 11.4773 11.4773 11.4828 11.4828 12.1084 12.1084 k = 0.2714 0.1567 0.1108 ( 4411 PWs) bands (ev): -24.8217 -24.8217 -24.7191 -24.7191 -12.6204 -12.6204 -11.6503 -11.6503 -11.4639 -11.4639 -11.4610 -11.4610 -8.5873 -8.5873 -8.4164 -8.4164 -8.3604 -8.3604 -8.1897 -8.1897 -8.0372 -8.0372 -8.0115 -8.0115 -1.2341 -1.2341 0.9316 0.9316 1.1543 1.1543 1.1549 1.1549 2.6536 2.6536 2.6588 2.6588 2.7337 2.7337 3.3530 3.3530 3.3750 3.3750 4.3634 4.3634 4.3743 4.3743 4.8227 4.8227 9.1372 9.1372 11.2037 11.2037 11.4954 11.4954 11.5009 11.5009 12.0514 12.0514 k = 0.2857 0.1650 0.1166 ( 4417 PWs) bands (ev): -24.8202 -24.8202 -24.7206 -24.7206 -12.6096 -12.6096 -11.6670 -11.6670 -11.4642 -11.4642 -11.4613 -11.4613 -8.5871 -8.5871 -8.4181 -8.4181 -8.3627 -8.3627 -8.1838 -8.1838 -8.0387 -8.0387 -8.0092 -8.0092 -1.2003 -1.2003 0.9284 0.9284 1.1685 1.1685 1.1688 1.1688 2.6715 2.6715 2.6772 2.6772 2.6790 2.6790 3.3437 3.3437 3.3656 3.3656 4.3276 4.3276 4.3384 4.3384 4.8231 4.8231 9.2293 9.2293 11.1591 11.1591 11.5152 11.5152 11.5205 11.5205 11.9958 11.9958 k = 0.3000 0.1732 0.1225 ( 4426 PWs) bands (ev): -24.8187 -24.8187 -24.7221 -24.7221 -12.5986 -12.5986 -11.6836 -11.6836 -11.4645 -11.4645 -11.4616 -11.4616 -8.5870 -8.5870 -8.4194 -8.4194 -8.3650 -8.3650 -8.1779 -8.1779 -8.0405 -8.0405 -8.0069 -8.0069 -1.1665 -1.1665 0.9255 0.9255 1.1825 1.1825 1.1826 1.1826 2.6251 2.6251 2.6902 2.6902 2.6964 2.6964 3.3333 3.3333 3.3551 3.3551 4.2924 4.2924 4.3031 4.3031 4.8235 4.8235 9.3230 9.3230 11.1123 11.1123 11.5365 11.5365 11.5417 11.5417 11.9406 11.9406 k = 0.3143 0.1815 0.1283 ( 4426 PWs) bands (ev): -24.8171 -24.8171 -24.7236 -24.7236 -12.5875 -12.5875 -11.7000 -11.7000 -11.4648 -11.4648 -11.4619 -11.4619 -8.5869 -8.5869 -8.4205 -8.4205 -8.3672 -8.3672 -8.1720 -8.1720 -8.0426 -8.0426 -8.0048 -8.0048 -1.1330 -1.1330 0.9228 0.9228 1.1961 1.1961 1.1964 1.1964 2.5723 2.5723 2.7097 2.7097 2.7165 2.7165 3.3220 3.3220 3.3437 3.3437 4.2581 4.2581 4.2687 4.2687 4.8239 4.8239 9.4181 9.4181 11.0643 11.0643 11.5595 11.5595 11.5646 11.5646 11.8847 11.8847 k = 0.3286 0.1897 0.1341 ( 4419 PWs) bands (ev): -24.8156 -24.8156 -24.7251 -24.7251 -12.5765 -12.5765 -11.7163 -11.7163 -11.4651 -11.4651 -11.4621 -11.4621 -8.5869 -8.5869 -8.4212 -8.4212 -8.3693 -8.3693 -8.1662 -8.1662 -8.0451 -8.0451 -8.0027 -8.0027 -1.1000 -1.1000 0.9203 0.9203 1.2092 1.2092 1.2098 1.2098 2.5211 2.5211 2.7301 2.7301 2.7374 2.7374 3.3095 3.3095 3.3311 3.3311 4.2250 4.2250 4.2356 4.2356 4.8242 4.8242 9.5141 9.5141 11.0163 11.0163 11.5841 11.5841 11.5891 11.5891 11.8274 11.8274 k = 0.3429 0.1979 0.1400 ( 4419 PWs) bands (ev): -24.8141 -24.8141 -24.7266 -24.7266 -12.5657 -12.5657 -11.7321 -11.7321 -11.4654 -11.4654 -11.4624 -11.4624 -8.5868 -8.5868 -8.4216 -8.4216 -8.3713 -8.3713 -8.1605 -8.1605 -8.0479 -8.0479 -8.0008 -8.0008 -1.0679 -1.0679 0.9181 0.9181 1.2218 1.2218 1.2227 1.2227 2.4719 2.4719 2.7513 2.7513 2.7591 2.7591 3.2959 3.2959 3.3173 3.3173 4.1934 4.1934 4.2040 4.2040 4.8246 4.8246 9.6107 9.6107 10.9691 10.9691 11.6102 11.6102 11.6152 11.6152 11.7681 11.7681 k = 0.3571 0.2062 0.1458 ( 4431 PWs) bands (ev): -24.8126 -24.8126 -24.7281 -24.7281 -12.5551 -12.5551 -11.7474 -11.7474 -11.4656 -11.4656 -11.4626 -11.4626 -8.5869 -8.5869 -8.4218 -8.4218 -8.3731 -8.3731 -8.1549 -8.1549 -8.0511 -8.0511 -7.9989 -7.9989 -1.0370 -1.0370 0.9161 0.9161 1.2337 1.2337 1.2350 1.2350 2.4250 2.4250 2.7731 2.7731 2.7815 2.7815 3.2810 3.2810 3.3023 3.3023 4.1636 4.1636 4.1742 4.1742 4.8249 4.8249 9.7076 9.7076 10.9235 10.9235 11.6380 11.6380 11.6428 11.6428 11.7065 11.7065 k = 0.3714 0.2144 0.1516 ( 4425 PWs) bands (ev): -24.8112 -24.8112 -24.7295 -24.7295 -12.5449 -12.5449 -11.7619 -11.7619 -11.4659 -11.4659 -11.4629 -11.4629 -8.5869 -8.5869 -8.4218 -8.4218 -8.3748 -8.3748 -8.1492 -8.1492 -8.0545 -8.0545 -7.9972 -7.9972 -1.0076 -1.0076 0.9143 0.9143 1.2450 1.2450 1.2465 1.2465 2.3810 2.3810 2.7957 2.7957 2.8046 2.8046 3.2650 3.2650 3.2861 3.2861 4.1360 4.1360 4.1465 4.1465 4.8253 4.8253 9.8042 9.8042 10.8802 10.8802 11.6427 11.6427 11.6673 11.6673 11.6720 11.6720 k = 0.3857 0.2227 0.1575 ( 4416 PWs) bands (ev): -24.8099 -24.8099 -24.7308 -24.7308 -12.5352 -12.5352 -11.7756 -11.7756 -11.4661 -11.4661 -11.4631 -11.4631 -8.5869 -8.5869 -8.4216 -8.4216 -8.3764 -8.3764 -8.1437 -8.1437 -8.0582 -8.0582 -7.9957 -7.9957 -0.9801 -0.9801 0.9128 0.9128 1.2554 1.2554 1.2572 1.2572 2.3402 2.3402 2.8187 2.8187 2.8282 2.8282 3.2479 3.2479 3.2687 3.2687 4.1106 4.1106 4.1211 4.1211 4.8255 4.8255 9.9001 9.9001 10.8396 10.8396 11.5770 11.5770 11.6980 11.6980 11.7027 11.7027 k = 0.4000 0.2309 0.1633 ( 4413 PWs) bands (ev): -24.8086 -24.8086 -24.7320 -24.7320 -12.5262 -12.5262 -11.7882 -11.7882 -11.4663 -11.4663 -11.4633 -11.4633 -8.5870 -8.5870 -8.4213 -8.4213 -8.3778 -8.3778 -8.1382 -8.1382 -8.0622 -8.0622 -7.9943 -7.9943 -0.9548 -0.9548 0.9116 0.9116 1.2648 1.2648 1.2669 1.2669 2.3030 2.3030 2.8422 2.8422 2.8522 2.8522 3.2297 3.2297 3.2502 3.2502 4.0878 4.0878 4.0983 4.0983 4.8258 4.8258 9.9947 9.9947 10.8020 10.8020 11.5100 11.5100 11.7302 11.7302 11.7348 11.7348 k = 0.4143 0.2392 0.1691 ( 4407 PWs) bands (ev): -24.8075 -24.8075 -24.7331 -24.7331 -12.5179 -12.5179 -11.7996 -11.7996 -11.4664 -11.4664 -11.4634 -11.4634 -8.5871 -8.5871 -8.4210 -8.4210 -8.3790 -8.3790 -8.1327 -8.1327 -8.0664 -8.0664 -7.9931 -7.9931 -0.9320 -0.9320 0.9105 0.9105 1.2733 1.2733 1.2755 1.2755 2.2698 2.2698 2.8658 2.8658 2.8762 2.8762 3.2106 3.2106 3.2309 3.2309 4.0677 4.0677 4.0782 4.0782 4.8260 4.8260 10.0872 10.0872 10.7675 10.7675 11.4426 11.4426 11.7638 11.7638 11.7683 11.7683 k = 0.4286 0.2474 0.1750 ( 4401 PWs) bands (ev): -24.8065 -24.8065 -24.7341 -24.7341 -12.5107 -12.5107 -11.8096 -11.8096 -11.4666 -11.4666 -11.4636 -11.4636 -8.5872 -8.5872 -8.4206 -8.4206 -8.3801 -8.3801 -8.1274 -8.1274 -8.0707 -8.0707 -7.9920 -7.9920 -0.9122 -0.9122 0.9096 0.9096 1.2805 1.2805 1.2829 1.2829 2.2410 2.2410 2.8892 2.8892 2.9001 2.9001 3.1910 3.1910 3.2111 3.2111 4.0505 4.0505 4.0611 4.0611 4.8262 4.8262 10.1765 10.1765 10.7361 10.7361 11.3762 11.3762 11.7985 11.7985 11.8030 11.8030 k = 0.4429 0.2557 0.1808 ( 4419 PWs) bands (ev): -24.8056 -24.8056 -24.7350 -24.7350 -12.5045 -12.5045 -11.8180 -11.8180 -11.4667 -11.4667 -11.4637 -11.4637 -8.5873 -8.5873 -8.4202 -8.4202 -8.3810 -8.3810 -8.1222 -8.1222 -8.0751 -8.0751 -7.9912 -7.9912 -0.8955 -0.8955 0.9090 0.9090 1.2866 1.2866 1.2891 1.2891 2.2170 2.2170 2.9120 2.9120 2.9231 2.9231 3.1713 3.1713 3.1912 3.1912 4.0363 4.0363 4.0469 4.0469 4.8264 4.8264 10.2611 10.2611 10.7073 10.7073 11.3130 11.3130 11.8345 11.8345 11.8388 11.8389 k = 0.4571 0.2639 0.1866 ( 4425 PWs) bands (ev): -24.8049 -24.8049 -24.7357 -24.7357 -12.4995 -12.4995 -11.8248 -11.8248 -11.4668 -11.4668 -11.4638 -11.4638 -8.5874 -8.5874 -8.4199 -8.4199 -8.3817 -8.3817 -8.1172 -8.1172 -8.0795 -8.0795 -7.9905 -7.9905 -0.8822 -0.8822 0.9084 0.9084 1.2913 1.2913 1.2940 1.2940 2.1979 2.1979 2.9332 2.9332 2.9446 2.9446 3.1525 3.1525 3.1723 3.1723 4.0251 4.0251 4.0358 4.0358 4.8265 4.8265 10.3391 10.3391 10.6806 10.6806 11.2559 11.2559 11.8714 11.8714 11.8757 11.8757 k = 0.4714 0.2722 0.1925 ( 4422 PWs) bands (ev): -24.8044 -24.8044 -24.7362 -24.7362 -12.4958 -12.4958 -11.8297 -11.8297 -11.4669 -11.4669 -11.4639 -11.4639 -8.5874 -8.5874 -8.4196 -8.4196 -8.3822 -8.3822 -8.1127 -8.1127 -8.0836 -8.0836 -7.9900 -7.9900 -0.8725 -0.8725 0.9081 0.9081 1.2948 1.2948 1.2976 1.2976 2.1841 2.1841 2.9514 2.9514 2.9630 2.9630 3.1359 3.1359 3.1557 3.1557 4.0171 4.0171 4.0278 4.0278 4.8266 4.8266 10.4069 10.4069 10.6552 10.6552 11.2092 11.2092 11.9092 11.9092 11.9135 11.9135 k = 0.4857 0.2804 0.1983 ( 4428 PWs) bands (ev): -24.8041 -24.8041 -24.7365 -24.7365 -12.4936 -12.4936 -11.8327 -11.8327 -11.4669 -11.4669 -11.4639 -11.4639 -8.5875 -8.5875 -8.4195 -8.4195 -8.3825 -8.3825 -8.1093 -8.1093 -8.0868 -8.0868 -7.9897 -7.9897 -0.8667 -0.8667 0.9079 0.9079 1.2969 1.2969 1.2997 1.2997 2.1758 2.1758 2.9644 2.9644 2.9759 2.9759 3.1239 3.1239 3.1437 3.1437 4.0123 4.0123 4.0230 4.0230 4.8267 4.8267 10.4580 10.4580 10.6327 10.6327 11.1779 11.1779 11.9476 11.9476 11.9517 11.9517 k = 0.5000 0.2887 0.2041 ( 4446 PWs) bands (ev): -24.8041 -24.8041 -24.7366 -24.7366 -12.4929 -12.4929 -11.8337 -11.8337 -11.4669 -11.4669 -11.4639 -11.4639 -8.5875 -8.5875 -8.4195 -8.4195 -8.3826 -8.3826 -8.1079 -8.1079 -8.0881 -8.0881 -7.9897 -7.9897 -0.8647 -0.8647 0.9078 0.9078 1.2976 1.2976 1.3004 1.3004 2.1730 2.1730 2.9693 2.9693 2.9807 2.9807 3.1194 3.1194 3.1393 3.1393 4.0107 4.0107 4.0214 4.0214 4.8267 4.8267 10.4788 10.4788 10.6220 10.6220 11.1668 11.1668 11.9808 11.9808 11.9836 11.9836 k = 0.5000 0.2887 0.2041 ( 4446 PWs) bands (ev): -24.8041 -24.8041 -24.7366 -24.7366 -12.4929 -12.4929 -11.8337 -11.8337 -11.4669 -11.4669 -11.4639 -11.4639 -8.5875 -8.5875 -8.4195 -8.4195 -8.3826 -8.3826 -8.1079 -8.1079 -8.0881 -8.0881 -7.9897 -7.9897 -0.8647 -0.8647 0.9078 0.9078 1.2976 1.2976 1.3004 1.3004 2.1730 2.1730 2.9693 2.9693 2.9807 2.9807 3.1194 3.1194 3.1393 3.1393 4.0107 4.0107 4.0214 4.0214 4.8267 4.8267 10.4788 10.4788 10.6220 10.6220 11.1668 11.1668 11.9808 11.9808 11.9836 11.9836 k = 0.5050 0.2742 0.2123 ( 4424 PWs) bands (ev): -24.8040 -24.8040 -24.7366 -24.7366 -12.4924 -12.4924 -11.8342 -11.8342 -11.4670 -11.4670 -11.4640 -11.4640 -8.5874 -8.5874 -8.4199 -8.4199 -8.3821 -8.3821 -8.1082 -8.1082 -8.0879 -8.0879 -7.9895 -7.9895 -0.8634 -0.8634 0.9051 0.9051 1.2988 1.2988 1.3019 1.3019 2.1728 2.1728 2.9675 2.9675 2.9786 2.9786 3.1220 3.1220 3.1415 3.1415 4.0098 4.0098 4.0205 4.0205 4.8254 4.8254 10.4797 10.4797 10.6229 10.6229 11.1668 11.1668 11.9693 11.9693 11.9703 11.9703 k = 0.5100 0.2598 0.2205 ( 4424 PWs) bands (ev): -24.8038 -24.8038 -24.7368 -24.7368 -12.4911 -12.4911 -11.8358 -11.8358 -11.4671 -11.4671 -11.4641 -11.4641 -8.5870 -8.5870 -8.4212 -8.4212 -8.3808 -8.3808 -8.1093 -8.1093 -8.0871 -8.0871 -7.9892 -7.9892 -0.8597 -0.8597 0.8972 0.8972 1.3014 1.3014 1.3069 1.3069 2.1723 2.1723 2.9624 2.9624 2.9727 2.9727 3.1292 3.1292 3.1480 3.1480 4.0065 4.0065 4.0184 4.0184 4.8215 4.8215 10.4823 10.4823 10.6255 10.6255 11.1667 11.1667 11.9516 11.9516 11.9540 11.9540 k = 0.5150 0.2454 0.2286 ( 4426 PWs) bands (ev): -24.8036 -24.8036 -24.7370 -24.7370 -12.4889 -12.4889 -11.8385 -11.8385 -11.4673 -11.4673 -11.4643 -11.4643 -8.5865 -8.5865 -8.4232 -8.4232 -8.3789 -8.3789 -8.1109 -8.1109 -8.0859 -8.0859 -7.9888 -7.9888 -0.8534 -0.8534 0.8845 0.8845 1.3052 1.3052 1.3154 1.3154 2.1716 2.1716 2.9545 2.9545 2.9642 2.9642 3.1398 3.1398 3.1585 3.1585 4.0000 4.0000 4.0160 4.0160 4.8150 4.8150 10.4867 10.4867 10.6299 10.6299 11.1664 11.1664 11.9339 11.9339 11.9381 11.9381 k = 0.5200 0.2309 0.2368 ( 4422 PWs) bands (ev): -24.8032 -24.8032 -24.7374 -24.7374 -12.4859 -12.4859 -11.8423 -11.8423 -11.4675 -11.4675 -11.4646 -11.4646 -8.5857 -8.5857 -8.4257 -8.4257 -8.3764 -8.3764 -8.1129 -8.1129 -8.0844 -8.0844 -7.9881 -7.9881 -0.8447 -0.8447 0.8676 0.8676 1.3103 1.3103 1.3266 1.3266 2.1706 2.1706 2.9443 2.9443 2.9540 2.9540 3.1524 3.1524 3.1724 3.1724 3.9900 3.9900 4.0137 4.0137 4.8060 4.8060 10.4928 10.4928 10.6360 10.6360 11.1660 11.1660 11.9165 11.9165 11.9229 11.9229 k = 0.5250 0.2165 0.2449 ( 4416 PWs) bands (ev): -24.8028 -24.8028 -24.7378 -24.7378 -12.4820 -12.4820 -11.8470 -11.8470 -11.4678 -11.4678 -11.4650 -11.4650 -8.5847 -8.5847 -8.4286 -8.4286 -8.3735 -8.3735 -8.1153 -8.1153 -8.0828 -8.0828 -7.9873 -7.9873 -0.8336 -0.8336 0.8470 0.8470 1.3167 1.3167 1.3400 1.3400 2.1693 2.1693 2.9325 2.9325 2.9430 2.9430 3.1663 3.1663 3.1892 3.1892 3.9768 3.9768 4.0112 4.0112 4.7947 4.7947 10.5008 10.5008 10.6437 10.6437 11.1655 11.1655 11.8992 11.8992 11.9085 11.9085 k = 0.5300 0.2021 0.2531 ( 4412 PWs) bands (ev): -24.8022 -24.8022 -24.7383 -24.7383 -12.4772 -12.4772 -11.8529 -11.8529 -11.4682 -11.4682 -11.4654 -11.4654 -8.5836 -8.5836 -8.4317 -8.4317 -8.3703 -8.3703 -8.1179 -8.1179 -8.0811 -8.0811 -7.9863 -7.9863 -0.8200 -0.8200 0.8234 0.8234 1.3244 1.3244 1.3548 1.3548 2.1680 2.1680 2.9198 2.9198 2.9313 2.9313 3.1811 3.1811 3.2081 3.2081 3.9609 3.9609 4.0083 4.0083 4.7811 4.7811 10.5105 10.5105 10.6531 10.6531 11.1647 11.1647 11.8821 11.8821 11.8948 11.8948 k = 0.5350 0.1876 0.2613 ( 4408 PWs) bands (ev): -24.8016 -24.8016 -24.7390 -24.7390 -12.4717 -12.4717 -11.8597 -11.8597 -11.4686 -11.4686 -11.4659 -11.4659 -8.5823 -8.5823 -8.4351 -8.4351 -8.3669 -8.3669 -8.1206 -8.1206 -8.0794 -8.0794 -7.9852 -7.9852 -0.8042 -0.8042 0.7973 0.7973 1.3333 1.3333 1.3706 1.3706 2.1666 2.1666 2.9064 2.9064 2.9194 2.9194 3.1967 3.1967 3.2285 3.2285 3.9424 3.9424 4.0049 4.0049 4.7655 4.7655 10.5220 10.5220 10.6640 10.6640 11.1637 11.1637 11.8649 11.8649 11.8819 11.8820 k = 0.5400 0.1732 0.2694 ( 4415 PWs) bands (ev): -24.8009 -24.8009 -24.7397 -24.7397 -12.4652 -12.4652 -11.8675 -11.8675 -11.4691 -11.4691 -11.4664 -11.4664 -8.5808 -8.5808 -8.4386 -8.4386 -8.3633 -8.3633 -8.1235 -8.1235 -8.0776 -8.0776 -7.9841 -7.9841 -0.7861 -0.7861 0.7690 0.7690 1.3435 1.3435 1.3869 1.3869 2.1651 2.1651 2.8927 2.8927 2.9073 2.9073 3.2130 3.2130 3.2499 3.2499 3.9218 3.9218 4.0007 4.0007 4.7479 4.7479 10.5353 10.5353 10.6763 10.6763 11.1624 11.1624 11.8474 11.8474 11.8699 11.8699 k = 0.5450 0.1588 0.2776 ( 4417 PWs) bands (ev): -24.8000 -24.8000 -24.7405 -24.7405 -12.4580 -12.4580 -11.8763 -11.8763 -11.4696 -11.4696 -11.4670 -11.4670 -8.5792 -8.5792 -8.4422 -8.4422 -8.3597 -8.3597 -8.1266 -8.1266 -8.0757 -8.0757 -7.9829 -7.9829 -0.7657 -0.7657 0.7389 0.7389 1.3548 1.3548 1.4036 1.4036 2.1638 2.1638 2.8788 2.8788 2.8953 2.8953 3.2297 3.2297 3.2719 3.2719 3.8994 3.8994 3.9958 3.9958 4.7287 4.7287 10.5505 10.5505 10.6901 10.6901 11.1608 11.1608 11.8295 11.8295 11.8586 11.8586 k = 0.5500 0.1443 0.2858 ( 4424 PWs) bands (ev): -24.7991 -24.7991 -24.7414 -24.7414 -12.4500 -12.4500 -11.8859 -11.8859 -11.4701 -11.4701 -11.4676 -11.4676 -8.5774 -8.5774 -8.4458 -8.4458 -8.3559 -8.3559 -8.1297 -8.1297 -8.0739 -8.0739 -7.9816 -7.9816 -0.7433 -0.7433 0.7073 0.7073 1.3672 1.3672 1.4204 1.4204 2.1626 2.1626 2.8648 2.8648 2.8834 2.8834 3.2470 3.2470 3.2940 3.2940 3.8758 3.8758 3.9900 3.9900 4.7081 4.7081 10.5675 10.5675 10.7050 10.7050 11.1591 11.1591 11.8110 11.8110 11.8481 11.8481 k = 0.5550 0.1299 0.2939 ( 4414 PWs) bands (ev): -24.7981 -24.7981 -24.7424 -24.7424 -12.4412 -12.4412 -11.8965 -11.8965 -11.4707 -11.4707 -11.4683 -11.4683 -8.5755 -8.5755 -8.4495 -8.4495 -8.3520 -8.3520 -8.1329 -8.1329 -8.0720 -8.0720 -7.9804 -7.9804 -0.7189 -0.7189 0.6743 0.6743 1.3806 1.3806 1.4370 1.4370 2.1616 2.1616 2.8508 2.8508 2.8717 2.8717 3.2646 3.2646 3.3158 3.3158 3.8515 3.8515 3.9831 3.9831 4.6863 4.6863 10.5863 10.5863 10.7212 10.7212 11.1571 11.1571 11.7917 11.7917 11.8383 11.8383 k = 0.5600 0.1155 0.3021 ( 4406 PWs) bands (ev): -24.7971 -24.7971 -24.7434 -24.7434 -12.4317 -12.4317 -11.9078 -11.9078 -11.4713 -11.4713 -11.4690 -11.4690 -8.5736 -8.5736 -8.4532 -8.4532 -8.3481 -8.3481 -8.1361 -8.1361 -8.0702 -8.0702 -7.9791 -7.9791 -0.6926 -0.6926 0.6402 0.6402 1.3948 1.3948 1.4533 1.4533 2.1609 2.1609 2.8367 2.8367 2.8603 2.8603 3.2827 3.2827 3.3366 3.3366 3.8274 3.8274 3.9750 3.9750 4.6638 4.6638 10.6069 10.6069 10.7383 10.7383 11.1551 11.1551 11.7713 11.7713 11.8293 11.8293 k = 0.5650 0.1010 0.3103 ( 4398 PWs) bands (ev): -24.7959 -24.7959 -24.7446 -24.7446 -12.4214 -12.4214 -11.9199 -11.9199 -11.4719 -11.4719 -11.4697 -11.4697 -8.5715 -8.5715 -8.4569 -8.4569 -8.3441 -8.3441 -8.1394 -8.1394 -8.0683 -8.0683 -7.9779 -7.9779 -0.6645 -0.6645 0.6050 0.6050 1.4098 1.4098 1.4693 1.4693 2.1605 2.1605 2.8226 2.8226 2.8494 2.8494 3.3010 3.3010 3.3557 3.3557 3.8042 3.8042 3.9656 3.9656 4.6407 4.6407 10.6294 10.6294 10.7564 10.7564 11.1529 11.1529 11.7497 11.7497 11.8210 11.8210 k = 0.5700 0.0866 0.3184 ( 4402 PWs) bands (ev): -24.7947 -24.7947 -24.7458 -24.7458 -12.4105 -12.4105 -11.9327 -11.9327 -11.4725 -11.4725 -11.4704 -11.4704 -8.5695 -8.5695 -8.4606 -8.4606 -8.3401 -8.3401 -8.1427 -8.1427 -8.0664 -8.0664 -7.9768 -7.9768 -0.6348 -0.6348 0.5691 0.5691 1.4254 1.4254 1.4847 1.4847 2.1606 2.1606 2.8084 2.8084 2.8390 2.8390 3.3195 3.3195 3.3719 3.3719 3.7832 3.7832 3.9547 3.9547 4.6176 4.6176 10.6536 10.6536 10.7752 10.7752 11.1508 11.1508 11.7267 11.7267 11.8134 11.8134 k = 0.5750 0.0722 0.3266 ( 4404 PWs) bands (ev): -24.7934 -24.7934 -24.7471 -24.7471 -12.3990 -12.3990 -11.9462 -11.9462 -11.4731 -11.4731 -11.4712 -11.4712 -8.5674 -8.5674 -8.4642 -8.4642 -8.3360 -8.3360 -8.1460 -8.1460 -8.0645 -8.0645 -7.9757 -7.9757 -0.6037 -0.6037 0.5324 0.5324 1.4415 1.4415 1.4997 1.4997 2.1611 2.1611 2.7943 2.7943 2.8292 2.8292 3.3383 3.3383 3.3842 3.3842 3.7660 3.7660 3.9422 3.9422 4.5946 4.5946 10.6794 10.6794 10.7946 10.7946 11.1488 11.1488 11.7023 11.7023 11.8065 11.8065 k = 0.5800 0.0577 0.3348 ( 4412 PWs) bands (ev): -24.7921 -24.7921 -24.7484 -24.7484 -12.3868 -12.3868 -11.9601 -11.9601 -11.4738 -11.4738 -11.4719 -11.4719 -8.5653 -8.5653 -8.4678 -8.4678 -8.3319 -8.3319 -8.1493 -8.1493 -8.0626 -8.0626 -7.9748 -7.9748 -0.5714 -0.5714 0.4952 0.4952 1.4579 1.4579 1.5140 1.5140 2.1621 2.1621 2.7801 2.7801 2.8202 2.8202 3.3572 3.3572 3.3911 3.3911 3.7539 3.7539 3.9278 3.9278 4.5721 4.5721 10.7069 10.7069 10.8146 10.8146 11.1468 11.1468 11.6764 11.6764 11.8002 11.8002 k = 0.5850 0.0433 0.3429 ( 4408 PWs) bands (ev): -24.7907 -24.7907 -24.7498 -24.7498 -12.3742 -12.3742 -11.9745 -11.9745 -11.4744 -11.4744 -11.4726 -11.4726 -8.5632 -8.5632 -8.4714 -8.4714 -8.3278 -8.3278 -8.1525 -8.1525 -8.0607 -8.0607 -7.9739 -7.9739 -0.5382 -0.5382 0.4577 0.4577 1.4744 1.4744 1.5276 1.5276 2.1636 2.1636 2.7659 2.7659 2.8120 2.8120 3.3760 3.3760 3.3918 3.3918 3.7484 3.7484 3.9117 3.9117 4.5506 4.5506 10.7359 10.7359 10.8349 10.8349 11.1449 11.1449 11.6492 11.6492 11.7945 11.7945 k = 0.5900 0.0289 0.3511 ( 4408 PWs) bands (ev): -24.7892 -24.7892 -24.7512 -24.7512 -12.3612 -12.3612 -11.9892 -11.9892 -11.4750 -11.4750 -11.4733 -11.4733 -8.5612 -8.5612 -8.4749 -8.4749 -8.3237 -8.3237 -8.1557 -8.1557 -8.0588 -8.0588 -7.9732 -7.9732 -0.5042 -0.5042 0.4201 0.4201 1.4909 1.4909 1.5406 1.5406 2.1657 2.1657 2.7517 2.7517 2.8047 2.8047 3.3849 3.3849 3.3956 3.3956 3.7501 3.7501 3.8937 3.8937 4.5302 4.5302 10.7662 10.7662 10.8555 10.8555 11.1429 11.1429 11.6206 11.6206 11.7894 11.7894 k = 0.5950 0.0144 0.3593 ( 4408 PWs) bands (ev): -24.7878 -24.7878 -24.7527 -24.7527 -12.3479 -12.3479 -12.0041 -12.0041 -11.4757 -11.4757 -11.4740 -11.4740 -8.5593 -8.5593 -8.4782 -8.4782 -8.3197 -8.3197 -8.1589 -8.1589 -8.0570 -8.0570 -7.9726 -7.9726 -0.4700 -0.4700 0.3826 0.3826 1.5071 1.5071 1.5528 1.5528 2.1684 2.1684 2.7374 2.7374 2.7986 2.7986 3.3726 3.3726 3.4141 3.4141 3.7586 3.7586 3.8739 3.8739 4.5112 4.5112 10.7977 10.7977 10.8763 10.8763 11.1408 11.1408 11.5909 11.5909 11.7848 11.7848 k = 0.6000-0.0000 0.3674 ( 4404 PWs) bands (ev): -24.7863 -24.7863 -24.7541 -24.7541 -12.3344 -12.3344 -12.0189 -12.0189 -11.4763 -11.4763 -11.4746 -11.4746 -8.5574 -8.5574 -8.4814 -8.4814 -8.3158 -8.3158 -8.1619 -8.1619 -8.0551 -8.0551 -7.9721 -7.9721 -0.4359 -0.4359 0.3456 0.3456 1.5229 1.5229 1.5643 1.5643 2.1717 2.1717 2.7230 2.7230 2.7936 2.7936 3.3550 3.3550 3.4325 3.4325 3.7731 3.7731 3.8526 3.8526 4.4939 4.4939 10.8300 10.8300 10.8971 10.8971 11.1382 11.1382 11.5604 11.5604 11.7807 11.7807 k = 0.6050-0.0144 0.3756 ( 4405 PWs) bands (ev): -24.7848 -24.7848 -24.7556 -24.7556 -12.3210 -12.3210 -12.0335 -12.0335 -11.4769 -11.4769 -11.4753 -11.4753 -8.5557 -8.5557 -8.4845 -8.4845 -8.3119 -8.3119 -8.1649 -8.1649 -8.0532 -8.0532 -7.9718 -7.9718 -0.4025 -0.4025 0.3096 0.3096 1.5379 1.5379 1.5749 1.5749 2.1756 2.1756 2.7086 2.7086 2.7900 2.7900 3.3339 3.3339 3.4502 3.4502 3.7921 3.7921 3.8303 3.8303 4.4783 4.4783 10.8628 10.8628 10.9177 10.9177 11.1350 11.1350 11.5297 11.5297 11.7771 11.7771 k = 0.6100-0.0289 0.3838 ( 4401 PWs) bands (ev): -24.7834 -24.7834 -24.7570 -24.7570 -12.3080 -12.3080 -12.0475 -12.0475 -11.4775 -11.4775 -11.4758 -11.4758 -8.5541 -8.5541 -8.4874 -8.4874 -8.3082 -8.3082 -8.1676 -8.1676 -8.0514 -8.0514 -7.9716 -7.9716 -0.3706 -0.3706 0.2752 0.2752 1.5520 1.5520 1.5846 1.5846 2.1802 2.1802 2.6941 2.6941 2.7878 2.7878 3.3106 3.3106 3.4667 3.4667 3.8057 3.8057 3.8162 3.8162 4.4645 4.4645 10.8956 10.8956 10.9380 10.9380 11.1307 11.1307 11.4993 11.4993 11.7739 11.7739 k = 0.6150-0.0433 0.3919 ( 4405 PWs) bands (ev): -24.7821 -24.7821 -24.7583 -24.7583 -12.2958 -12.2958 -12.0604 -12.0604 -11.4781 -11.4781 -11.4764 -11.4764 -8.5527 -8.5527 -8.4902 -8.4902 -8.3048 -8.3048 -8.1703 -8.1703 -8.0495 -8.0495 -7.9716 -7.9716 -0.3412 -0.3412 0.2434 0.2434 1.5649 1.5649 1.5933 1.5933 2.1855 2.1855 2.6796 2.6796 2.7872 2.7872 3.2865 3.2865 3.4811 3.4811 3.7840 3.7840 3.8404 3.8404 4.4525 4.4525 10.9276 10.9276 10.9572 10.9572 11.1253 11.1253 11.4704 11.4704 11.7711 11.7711 k = 0.6200-0.0577 0.4001 ( 4403 PWs) bands (ev): -24.7810 -24.7810 -24.7594 -24.7594 -12.2850 -12.2850 -12.0717 -12.0717 -11.4786 -11.4786 -11.4769 -11.4769 -8.5516 -8.5516 -8.4926 -8.4926 -8.3016 -8.3016 -8.1727 -8.1727 -8.0477 -8.0477 -7.9718 -7.9718 -0.3157 -0.3157 0.2153 0.2153 1.5765 1.5765 1.6009 1.6009 2.1916 2.1916 2.6651 2.6651 2.7883 2.7883 3.2623 3.2623 3.4924 3.4924 3.7634 3.7634 3.8672 3.8672 4.4423 4.4423 10.9578 10.9578 10.9740 10.9740 11.1193 11.1193 11.4442 11.4442 11.7686 11.7686 k = 0.6250-0.0722 0.4082 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2764 -12.2764 -12.0805 -12.0805 -11.4791 -11.4791 -11.4773 -11.4773 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2957 -0.2957 0.1925 0.1925 1.5864 1.5864 1.6074 1.6074 2.1985 2.1985 2.6506 2.6506 2.7913 2.7913 3.2390 3.2390 3.4987 3.4987 3.7466 3.7466 3.8954 3.8954 4.4338 4.4338 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.6250-0.0722 0.4082 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2764 -12.2764 -12.0805 -12.0805 -11.4791 -11.4791 -11.4773 -11.4773 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2957 -0.2957 0.1925 0.1925 1.5864 1.5864 1.6074 1.6074 2.1985 2.1985 2.6506 2.6506 2.7913 2.7913 3.2390 3.2390 3.4987 3.4987 3.7466 3.7466 3.8954 3.8954 4.4338 4.4338 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.6167-0.0674 0.4219 ( 4400 PWs) bands (ev): -24.7800 -24.7800 -24.7604 -24.7604 -12.2760 -12.2760 -12.0810 -12.0810 -11.4791 -11.4791 -11.4773 -11.4773 -8.5506 -8.5506 -8.4948 -8.4948 -8.2987 -8.2987 -8.1749 -8.1749 -8.0459 -8.0459 -7.9721 -7.9721 -0.2945 -0.2945 0.1913 0.1913 1.5864 1.5864 1.6074 1.6074 2.1995 2.1995 2.6462 2.6462 2.7956 2.7956 3.2373 3.2373 3.5003 3.5003 3.7443 3.7443 3.8983 3.8983 4.4319 4.4319 10.9843 10.9843 10.9868 10.9868 11.1152 11.1152 11.4203 11.4203 11.7699 11.7699 k = 0.6083-0.0625 0.4355 ( 4398 PWs) bands (ev): -24.7799 -24.7799 -24.7605 -24.7605 -12.2747 -12.2747 -12.0825 -12.0825 -11.4790 -11.4790 -11.4773 -11.4773 -8.5503 -8.5503 -8.4950 -8.4950 -8.2987 -8.2987 -8.1750 -8.1750 -8.0460 -8.0460 -7.9720 -7.9720 -0.2909 -0.2909 0.1878 0.1878 1.5865 1.5865 1.6072 1.6072 2.2023 2.2023 2.6344 2.6344 2.8072 2.8072 3.2327 3.2327 3.5051 3.5051 3.7377 3.7377 3.9064 3.9064 4.4265 4.4265 10.9848 10.9848 10.9872 10.9872 11.1177 11.1177 11.4136 11.4136 11.7799 11.7799 k = 0.6000-0.0577 0.4491 ( 4402 PWs) bands (ev): -24.7796 -24.7796 -24.7607 -24.7607 -12.2725 -12.2725 -12.0849 -12.0849 -11.4790 -11.4790 -11.4773 -11.4773 -8.5499 -8.5499 -8.4952 -8.4952 -8.2987 -8.2987 -8.1751 -8.1751 -8.0461 -8.0461 -7.9718 -7.9718 -0.2849 -0.2849 0.1820 0.1820 1.5867 1.5867 1.6070 1.6070 2.2070 2.2070 2.6178 2.6178 2.8235 2.8235 3.2252 3.2252 3.5126 3.5126 3.7282 3.7282 3.9186 3.9186 4.4176 4.4176 10.9856 10.9856 10.9880 10.9880 11.1218 11.1218 11.4032 11.4032 11.7954 11.7954 k = 0.5917-0.0529 0.4627 ( 4398 PWs) bands (ev): -24.7793 -24.7793 -24.7611 -24.7611 -12.2694 -12.2694 -12.0884 -12.0884 -11.4789 -11.4789 -11.4772 -11.4772 -8.5494 -8.5494 -8.4954 -8.4954 -8.2988 -8.2988 -8.1753 -8.1753 -8.0462 -8.0462 -7.9716 -7.9716 -0.2765 -0.2765 0.1740 0.1740 1.5870 1.5870 1.6067 1.6067 2.2134 2.2134 2.5983 2.5983 2.8424 2.8424 3.2155 3.2155 3.5224 3.5224 3.7169 3.7169 3.9336 3.9336 4.4052 4.4052 10.9868 10.9868 10.9891 10.9891 11.1273 11.1273 11.3903 11.3903 11.8154 11.8154 k = 0.5833-0.0481 0.4763 ( 4396 PWs) bands (ev): -24.7789 -24.7789 -24.7615 -24.7615 -12.2655 -12.2655 -12.0928 -12.0928 -11.4787 -11.4787 -11.4772 -11.4772 -8.5487 -8.5487 -8.4957 -8.4957 -8.2989 -8.2989 -8.1755 -8.1755 -8.0463 -8.0463 -7.9714 -7.9714 -0.2658 -0.2658 0.1637 0.1637 1.5874 1.5874 1.6064 1.6064 2.2216 2.2216 2.5773 2.5773 2.8628 2.8628 3.2039 3.2039 3.5340 3.5340 3.7048 3.7048 3.9505 3.9505 4.3897 4.3897 10.9882 10.9882 10.9905 10.9905 11.1343 11.1343 11.3757 11.3757 11.8385 11.8385 k = 0.5750-0.0433 0.4899 ( 4402 PWs) bands (ev): -24.7784 -24.7784 -24.7620 -24.7620 -12.2608 -12.2608 -12.0981 -12.0981 -11.4786 -11.4786 -11.4772 -11.4772 -8.5480 -8.5480 -8.4961 -8.4961 -8.2989 -8.2989 -8.1758 -8.1758 -8.0465 -8.0465 -7.9712 -7.9712 -0.2528 -0.2528 0.1512 0.1512 1.5879 1.5879 1.6060 1.6060 2.2313 2.2313 2.5555 2.5555 2.8839 2.8839 3.1910 3.1910 3.5468 3.5468 3.6926 3.6926 3.9688 3.9688 4.3712 4.3712 10.9899 10.9899 10.9923 10.9923 11.1424 11.1424 11.3601 11.3601 11.8636 11.8636 k = 0.5667-0.0385 0.5035 ( 4400 PWs) bands (ev): -24.7778 -24.7778 -24.7626 -24.7626 -12.2552 -12.2552 -12.1043 -12.1043 -11.4785 -11.4785 -11.4771 -11.4771 -8.5471 -8.5471 -8.4965 -8.4965 -8.2990 -8.2990 -8.1761 -8.1761 -8.0467 -8.0467 -7.9709 -7.9709 -0.2376 -0.2376 0.1365 0.1365 1.5885 1.5885 1.6055 1.6055 2.2425 2.2425 2.5333 2.5333 2.9051 2.9051 3.1770 3.1770 3.5602 3.5602 3.6807 3.6807 3.9879 3.9879 4.3501 4.3501 10.9919 10.9919 10.9943 10.9943 11.1515 11.1515 11.3442 11.3442 11.8898 11.8898 k = 0.5583-0.0337 0.5171 ( 4402 PWs) bands (ev): -24.7771 -24.7771 -24.7632 -24.7632 -12.2487 -12.2487 -12.1113 -12.1113 -11.4783 -11.4783 -11.4771 -11.4771 -8.5463 -8.5463 -8.4970 -8.4970 -8.2991 -8.2991 -8.1764 -8.1764 -8.0469 -8.0469 -7.9706 -7.9706 -0.2203 -0.2203 0.1198 0.1198 1.5893 1.5893 1.6049 1.6049 2.2550 2.2550 2.5110 2.5110 2.9263 2.9263 3.1623 3.1623 3.5740 3.5740 3.6696 3.6696 4.0076 4.0076 4.3266 4.3266 10.9941 10.9941 10.9967 10.9967 11.1615 11.1615 11.3283 11.3283 11.9160 11.9160 k = 0.5500-0.0289 0.5307 ( 4406 PWs) bands (ev): -24.7764 -24.7764 -24.7640 -24.7640 -12.2415 -12.2415 -12.1192 -12.1192 -11.4782 -11.4782 -11.4770 -11.4770 -8.5454 -8.5454 -8.4974 -8.4974 -8.2991 -8.2991 -8.1767 -8.1767 -8.0472 -8.0472 -7.9703 -7.9703 -0.2010 -0.2010 0.1011 0.1011 1.5902 1.5902 1.6044 1.6044 2.2687 2.2687 2.4888 2.4888 2.9471 2.9471 3.1471 3.1471 3.5875 3.5875 3.6596 3.6596 4.0276 4.0276 4.3014 4.3014 10.9964 10.9964 10.9994 10.9994 11.1720 11.1720 11.3126 11.3126 11.9413 11.9413 k = 0.5417-0.0241 0.5443 ( 4406 PWs) bands (ev): -24.7755 -24.7755 -24.7648 -24.7648 -12.2334 -12.2334 -12.1279 -12.1279 -11.4781 -11.4781 -11.4769 -11.4769 -8.5446 -8.5446 -8.4978 -8.4978 -8.2992 -8.2992 -8.1770 -8.1770 -8.0474 -8.0474 -7.9700 -7.9700 -0.1797 -0.1797 0.0805 0.0805 1.5912 1.5912 1.6038 1.6038 2.2835 2.2835 2.4669 2.4669 2.9673 2.9673 3.1317 3.1317 3.6003 3.6003 3.6508 3.6508 4.0479 4.0479 4.2748 4.2748 10.9989 10.9989 11.0023 11.0023 11.1829 11.1829 11.2973 11.2973 11.9649 11.9649 k = 0.5333-0.0192 0.5579 ( 4408 PWs) bands (ev): -24.7746 -24.7746 -24.7658 -24.7658 -12.2245 -12.2245 -12.1373 -12.1373 -11.4780 -11.4780 -11.4769 -11.4769 -8.5438 -8.5438 -8.4982 -8.4982 -8.2992 -8.2992 -8.1772 -8.1772 -8.0476 -8.0476 -7.9697 -7.9697 -0.1566 -0.1566 0.0580 0.0580 1.5923 1.5923 1.6032 1.6032 2.2990 2.2990 2.4455 2.4455 2.9868 2.9868 3.1161 3.1161 3.6120 3.6120 3.6436 3.6436 4.0682 4.0682 4.2476 4.2476 11.0014 11.0014 11.0054 11.0054 11.1938 11.1938 11.2825 11.2825 11.9859 11.9859 k = 0.5250-0.0144 0.5715 ( 4397 PWs) bands (ev): -24.7736 -24.7736 -24.7667 -24.7667 -12.2149 -12.2149 -12.1474 -12.1474 -11.4779 -11.4779 -11.4768 -11.4768 -8.5432 -8.5432 -8.4986 -8.4986 -8.2992 -8.2992 -8.1774 -8.1774 -8.0477 -8.0477 -7.9694 -7.9694 -0.1318 -0.1318 0.0338 0.0338 1.5934 1.5934 1.6026 1.6026 2.3153 2.3153 2.4248 2.4248 3.0054 3.0054 3.1006 3.1006 3.6218 3.6218 3.6381 3.6381 4.0884 4.0884 4.2205 4.2205 11.0039 11.0039 11.0084 11.0084 11.2045 11.2045 11.2684 11.2684 12.0037 12.0037 k = 0.5167-0.0096 0.5852 ( 4402 PWs) bands (ev): -24.7725 -24.7725 -24.7678 -24.7678 -12.2045 -12.2045 -12.1581 -12.1581 -11.4779 -11.4779 -11.4768 -11.4768 -8.5427 -8.5427 -8.4988 -8.4988 -8.2993 -8.2993 -8.1776 -8.1776 -8.0479 -8.0479 -7.9693 -7.9693 -0.1054 -0.1054 0.0079 0.0079 1.5944 1.5944 1.6020 1.6020 2.3321 2.3321 2.4049 2.4049 3.0228 3.0228 3.0853 3.0853 3.6290 3.6290 3.6348 3.6348 4.1086 4.1086 4.1944 4.1944 11.0064 11.0064 11.0109 11.0109 11.2148 11.2148 11.2552 11.2552 12.0176 12.0176 k = 0.5083-0.0048 0.5988 ( 4392 PWs) bands (ev): -24.7714 -24.7714 -24.7690 -24.7690 -12.1934 -12.1934 -12.1695 -12.1695 -11.4778 -11.4778 -11.4767 -11.4767 -8.5424 -8.5424 -8.4990 -8.4990 -8.2992 -8.2992 -8.1776 -8.1776 -8.0480 -8.0480 -7.9691 -7.9691 -0.0776 -0.0776 -0.0195 -0.0195 1.5951 1.5951 1.6017 1.6017 2.3489 2.3489 2.3862 2.3862 3.0388 3.0388 3.0706 3.0706 3.6320 3.6320 3.6345 3.6345 4.1284 4.1284 4.1703 4.1703 11.0089 11.0089 11.0123 11.0123 11.2245 11.2245 11.2433 11.2433 12.0269 12.0269 k = 0.5000-0.0000 0.6124 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1817 -12.1817 -12.1812 -12.1812 -11.4778 -11.4778 -11.4767 -11.4767 -8.5423 -8.5423 -8.4990 -8.4990 -8.2992 -8.2992 -8.1777 -8.1777 -8.0480 -8.0480 -7.9691 -7.9691 -0.0493 -0.0493 -0.0477 -0.0477 1.5954 1.5954 1.6015 1.6015 2.3615 2.3615 2.3729 2.3729 3.0496 3.0496 3.0602 3.0602 3.6326 3.6326 3.6350 3.6350 4.1443 4.1443 4.1528 4.1528 11.0106 11.0106 11.0121 11.0121 11.2329 11.2329 11.2340 11.2340 12.0301 12.0304 k = 0.5000-0.0000 0.6124 ( 4388 PWs) bands (ev): -24.7702 -24.7702 -24.7702 -24.7702 -12.1817 -12.1817 -12.1812 -12.1812 -11.4778 -11.4778 -11.4767 -11.4767 -8.5423 -8.5423 -8.4990 -8.4990 -8.2992 -8.2992 -8.1777 -8.1777 -8.0480 -8.0480 -7.9691 -7.9691 -0.0493 -0.0493 -0.0477 -0.0477 1.5954 1.5954 1.6015 1.6015 2.3615 2.3615 2.3729 2.3729 3.0496 3.0496 3.0602 3.0602 3.6326 3.6326 3.6350 3.6350 4.1443 4.1443 4.1528 4.1528 11.0106 11.0106 11.0121 11.0121 11.2329 11.2329 11.2340 11.2340 12.0301 12.0304 k = 0.5000 0.0100 0.5983 ( 4396 PWs) bands (ev): -24.7720 -24.7720 -24.7684 -24.7684 -12.1992 -12.1992 -12.1636 -12.1636 -11.4778 -11.4778 -11.4767 -11.4767 -8.5425 -8.5425 -8.4987 -8.4987 -8.2995 -8.2995 -8.1774 -8.1774 -8.0481 -8.0481 -7.9691 -7.9691 -0.0918 -0.0918 -0.0051 -0.0051 1.5942 1.5942 1.6012 1.6012 2.3415 2.3415 2.3938 2.3938 3.0337 3.0337 3.0774 3.0774 3.6301 3.6301 3.6365 3.6365 4.1202 4.1202 4.1782 4.1782 11.0051 11.0051 11.0118 11.0118 11.2224 11.2224 11.2475 11.2475 12.0285 12.0285 k = 0.5000 0.0199 0.5842 ( 4404 PWs) bands (ev): -24.7738 -24.7738 -24.7665 -24.7665 -12.2168 -12.2168 -12.1457 -12.1457 -11.4777 -11.4777 -11.4766 -11.4766 -8.5432 -8.5432 -8.4979 -8.4979 -8.3003 -8.3003 -8.1768 -8.1768 -8.0485 -8.0485 -7.9692 -7.9692 -0.1350 -0.1350 0.0382 0.0382 1.5907 1.5907 1.5999 1.5999 2.3180 2.3180 2.4203 2.4203 3.0150 3.0150 3.1001 3.1001 3.6261 3.6261 3.6372 3.6372 4.0942 4.0942 4.2084 4.2084 10.9934 10.9934 11.0067 11.0067 11.2141 11.2141 11.2647 11.2647 12.0275 12.0275 k = 0.5000 0.0299 0.5701 ( 4396 PWs) bands (ev): -24.7756 -24.7756 -24.7647 -24.7647 -12.2342 -12.2342 -12.1277 -12.1277 -11.4776 -11.4776 -11.4764 -11.4764 -8.5443 -8.5443 -8.4965 -8.4965 -8.3016 -8.3016 -8.1756 -8.1756 -8.0490 -8.0490 -7.9693 -7.9693 -0.1779 -0.1779 0.0815 0.0815 1.5853 1.5853 1.5974 1.5974 2.2956 2.2956 2.4474 2.4474 2.9975 2.9975 3.1237 3.1237 3.6219 3.6219 3.6360 3.6360 4.0701 4.0701 4.2395 4.2395 10.9767 10.9767 10.9971 10.9971 11.2076 11.2076 11.2848 11.2848 12.0287 12.0287 k = 0.5000 0.0398 0.5561 ( 4398 PWs) bands (ev): -24.7774 -24.7774 -24.7629 -24.7629 -12.2513 -12.2513 -12.1098 -12.1098 -11.4774 -11.4774 -11.4762 -11.4762 -8.5457 -8.5457 -8.4947 -8.4947 -8.3034 -8.3034 -8.1741 -8.1741 -8.0498 -8.0498 -7.9695 -7.9695 -0.2205 -0.2205 0.1246 0.1246 1.5782 1.5782 1.5937 1.5937 2.2749 2.2749 2.4747 2.4747 2.9816 2.9816 3.1478 3.1478 3.6181 3.6181 3.6324 3.6324 4.0485 4.0485 4.2711 4.2711 10.9558 10.9558 10.9840 10.9840 11.2022 11.2022 11.3072 11.3072 12.0322 12.0322 k = 0.5000 0.0498 0.5420 ( 4404 PWs) bands (ev): -24.7792 -24.7792 -24.7612 -24.7612 -12.2682 -12.2682 -12.0921 -12.0921 -11.4772 -11.4772 -11.4758 -11.4758 -8.5474 -8.5474 -8.4925 -8.4925 -8.3057 -8.3057 -8.1722 -8.1722 -8.0507 -8.0507 -7.9697 -7.9697 -0.2626 -0.2626 0.1675 0.1675 1.5694 1.5694 1.5888 1.5888 2.2559 2.2559 2.5022 2.5022 2.9672 2.9672 3.1718 3.1718 3.6151 3.6151 3.6261 3.6261 4.0298 4.0298 4.3031 4.3031 10.9317 10.9317 10.9684 10.9684 11.1972 11.1972 11.3317 11.3317 12.0375 12.0375 k = 0.5000 0.0597 0.5279 ( 4404 PWs) bands (ev): -24.7810 -24.7810 -24.7594 -24.7594 -12.2846 -12.2846 -12.0745 -12.0745 -11.4769 -11.4769 -11.4755 -11.4755 -8.5493 -8.5493 -8.4900 -8.4900 -8.3083 -8.3083 -8.1700 -8.1700 -8.0518 -8.0518 -7.9700 -7.9700 -0.3042 -0.3042 0.2100 0.2100 1.5590 1.5590 1.5827 1.5827 2.2387 2.2387 2.5296 2.5296 2.9543 2.9543 3.1950 3.1950 3.6119 3.6119 3.6186 3.6186 4.0141 4.0141 4.3352 4.3352 10.9051 10.9051 10.9511 10.9511 11.1923 11.1923 11.3577 11.3577 12.0443 12.0443 k = 0.5000 0.0697 0.5138 ( 4400 PWs) bands (ev): -24.7827 -24.7827 -24.7577 -24.7577 -12.3007 -12.3007 -12.0571 -12.0571 -11.4765 -11.4765 -11.4750 -11.4750 -8.5513 -8.5513 -8.4873 -8.4873 -8.3112 -8.3112 -8.1675 -8.1675 -8.0531 -8.0531 -7.9704 -7.9704 -0.3451 -0.3451 0.2522 0.2522 1.5472 1.5472 1.5754 1.5754 2.2235 2.2235 2.5567 2.5567 2.9430 2.9430 3.2166 3.2166 3.6017 3.6017 3.6173 3.6173 4.0017 4.0017 4.3672 4.3672 10.8769 10.8769 10.9326 10.9326 11.1873 11.1873 11.3850 11.3850 12.0522 12.0522 k = 0.5000 0.0796 0.4998 ( 4406 PWs) bands (ev): -24.7844 -24.7844 -24.7560 -24.7560 -12.3164 -12.3164 -12.0399 -12.0399 -11.4761 -11.4761 -11.4746 -11.4746 -8.5535 -8.5535 -8.4843 -8.4843 -8.3144 -8.3144 -8.1648 -8.1648 -8.0545 -8.0545 -7.9709 -7.9709 -0.3853 -0.3853 0.2940 0.2940 1.5341 1.5341 1.5670 1.5670 2.2103 2.2103 2.5834 2.5834 2.9332 2.9332 3.2358 3.2358 3.5861 3.5861 3.6214 3.6214 3.9923 3.9923 4.3991 4.3991 10.8476 10.8476 10.9133 10.9133 11.1824 11.1824 11.4133 11.4133 12.0607 12.0607 k = 0.5000 0.0896 0.4857 ( 4412 PWs) bands (ev): -24.7860 -24.7860 -24.7544 -24.7544 -12.3316 -12.3316 -12.0231 -12.0231 -11.4757 -11.4757 -11.4740 -11.4740 -8.5557 -8.5557 -8.4812 -8.4812 -8.3178 -8.3178 -8.1619 -8.1619 -8.0560 -8.0560 -7.9714 -7.9714 -0.4245 -0.4245 0.3353 0.3353 1.5200 1.5200 1.5576 1.5576 2.1989 2.1989 2.6097 2.6097 2.9248 2.9248 3.2517 3.2517 3.5673 3.5673 3.6296 3.6296 3.9857 3.9857 4.4307 4.4307 10.8179 10.8179 10.8935 10.8935 11.1776 11.1776 11.4425 11.4425 12.0694 12.0694 k = 0.5000 0.0995 0.4716 ( 4414 PWs) bands (ev): -24.7876 -24.7876 -24.7528 -24.7528 -12.3463 -12.3463 -12.0067 -12.0067 -11.4752 -11.4752 -11.4735 -11.4735 -8.5580 -8.5580 -8.4779 -8.4779 -8.3214 -8.3214 -8.1589 -8.1589 -8.0576 -8.0576 -7.9721 -7.9721 -0.4628 -0.4628 0.3760 0.3760 1.5050 1.5050 1.5472 1.5472 2.1894 2.1894 2.6354 2.6354 2.9179 2.9179 3.2638 3.2638 3.5459 3.5459 3.6421 3.6421 3.9816 3.9816 4.4620 4.4620 10.7881 10.7881 10.8733 10.8733 11.1732 11.1732 11.4722 11.4722 12.0777 12.0777 k = 0.5000 0.1095 0.4575 ( 4412 PWs) bands (ev): -24.7892 -24.7892 -24.7513 -24.7513 -12.3604 -12.3604 -11.9908 -11.9908 -11.4747 -11.4747 -11.4729 -11.4729 -8.5603 -8.5603 -8.4746 -8.4746 -8.3251 -8.3251 -8.1557 -8.1557 -8.0593 -8.0593 -7.9728 -7.9728 -0.5000 -0.5000 0.4162 0.4162 1.4893 1.4893 1.5359 1.5359 2.1816 2.1816 2.6606 2.6606 2.9123 2.9123 3.2718 3.2718 3.5225 3.5225 3.6588 3.6588 3.9796 3.9796 4.4927 4.4927 10.7588 10.7588 10.8531 10.8531 11.1693 11.1693 11.5025 11.5025 12.0848 12.0848 k = 0.5000 0.1195 0.4434 ( 4404 PWs) bands (ev): -24.7906 -24.7906 -24.7498 -24.7498 -12.3740 -12.3740 -11.9753 -11.9753 -11.4742 -11.4742 -11.4722 -11.4722 -8.5626 -8.5626 -8.4711 -8.4711 -8.3289 -8.3289 -8.1525 -8.1525 -8.0610 -8.0610 -7.9737 -7.9737 -0.5360 -0.5360 0.4557 0.4557 1.4733 1.4733 1.5237 1.5237 2.1754 2.1754 2.6853 2.6853 2.9081 2.9081 3.2756 3.2756 3.4975 3.4975 3.6794 3.6794 3.9792 3.9792 4.5228 4.5228 10.7301 10.7301 10.8329 10.8329 11.1660 11.1660 11.5331 11.5331 12.0794 12.0794 k = 0.5000 0.1294 0.4294 ( 4404 PWs) bands (ev): -24.7921 -24.7921 -24.7484 -24.7484 -12.3869 -12.3869 -11.9604 -11.9604 -11.4736 -11.4736 -11.4716 -11.4716 -8.5649 -8.5649 -8.4675 -8.4675 -8.3328 -8.3328 -8.1492 -8.1492 -8.0628 -8.0628 -7.9746 -7.9746 -0.5706 -0.5706 0.4945 0.4945 1.4571 1.4571 1.5107 1.5107 2.1706 2.1706 2.7093 2.7093 2.9051 2.9051 3.2757 3.2757 3.4713 3.4713 3.7034 3.7034 3.9801 3.9801 4.5522 4.5522 10.7025 10.7025 10.8128 10.8128 11.1634 11.1634 11.5639 11.5639 12.0638 12.0638 k = 0.5000 0.1394 0.4153 ( 4404 PWs) bands (ev): -24.7934 -24.7934 -24.7470 -24.7470 -12.3992 -12.3992 -11.9461 -11.9461 -11.4730 -11.4730 -11.4709 -11.4709 -8.5671 -8.5671 -8.4640 -8.4640 -8.3367 -8.3367 -8.1459 -8.1459 -8.0647 -8.0647 -7.9756 -7.9756 -0.6038 -0.6038 0.5326 0.5326 1.4409 1.4409 1.4969 1.4969 2.1671 2.1671 2.7328 2.7328 2.9035 2.9035 3.2727 3.2727 3.4443 3.4443 3.7297 3.7297 3.9820 3.9820 4.5808 4.5808 10.6760 10.6760 10.7931 10.7931 11.1615 11.1615 11.5948 11.5948 12.0461 12.0461 k = 0.5000 0.1493 0.4012 ( 4402 PWs) bands (ev): -24.7947 -24.7947 -24.7457 -24.7457 -12.4109 -12.4109 -11.9325 -11.9325 -11.4724 -11.4724 -11.4702 -11.4702 -8.5693 -8.5693 -8.4603 -8.4603 -8.3406 -8.3406 -8.1426 -8.1426 -8.0665 -8.0665 -7.9767 -7.9767 -0.6354 -0.6354 0.5698 0.5698 1.4249 1.4249 1.4825 1.4825 2.1647 2.1647 2.7556 2.7556 2.9030 2.9030 3.2670 3.2670 3.4168 3.4168 3.7577 3.7577 3.9845 3.9845 4.6084 4.6084 10.6509 10.6509 10.7738 10.7738 11.1604 11.1604 11.6255 11.6255 12.0276 12.0276 k = 0.5000 0.1593 0.3871 ( 4402 PWs) bands (ev): -24.7959 -24.7959 -24.7445 -24.7445 -12.4218 -12.4218 -11.9196 -11.9196 -11.4718 -11.4718 -11.4695 -11.4695 -8.5715 -8.5715 -8.4566 -8.4566 -8.3445 -8.3445 -8.1393 -8.1393 -8.0684 -8.0684 -7.9779 -7.9779 -0.6653 -0.6653 0.6061 0.6061 1.4094 1.4094 1.4674 1.4674 2.1633 2.1633 2.7778 2.7778 2.9037 2.9037 3.2593 3.2593 3.3892 3.3892 3.7864 3.7864 3.9875 3.9875 4.6351 4.6351 10.6273 10.6273 10.7552 10.7552 11.1599 11.1599 11.6561 11.6561 12.0091 12.0091 k = 0.5000 0.1692 0.3731 ( 4412 PWs) bands (ev): -24.7971 -24.7971 -24.7434 -24.7434 -12.4321 -12.4321 -11.9074 -11.9074 -11.4713 -11.4713 -11.4688 -11.4688 -8.5736 -8.5736 -8.4530 -8.4530 -8.3485 -8.3485 -8.1360 -8.1360 -8.0702 -8.0702 -7.9792 -7.9792 -0.6935 -0.6935 0.6414 0.6414 1.3945 1.3945 1.4517 1.4517 2.1627 2.1627 2.7994 2.7994 2.9056 2.9056 3.2499 3.2499 3.3616 3.3616 3.8152 3.8152 3.9907 3.9907 4.6605 4.6605 10.6053 10.6053 10.7373 10.7373 11.1599 11.1599 11.6864 11.6864 11.9915 11.9915 k = 0.5000 0.1792 0.3590 ( 4412 PWs) bands (ev): -24.7982 -24.7982 -24.7423 -24.7423 -12.4416 -12.4416 -11.8961 -11.8961 -11.4707 -11.4707 -11.4682 -11.4682 -8.5756 -8.5756 -8.4493 -8.4493 -8.3523 -8.3523 -8.1328 -8.1328 -8.0721 -8.0721 -7.9804 -7.9804 -0.7198 -0.7198 0.6756 0.6756 1.3803 1.3803 1.4357 1.4357 2.1627 2.1627 2.8204 2.8204 2.9086 2.9086 3.2393 3.2393 3.3343 3.3343 3.8434 3.8434 3.9941 3.9941 4.6847 4.6847 10.5851 10.5851 10.7203 10.7203 11.1603 11.1603 11.7163 11.7163 11.9754 11.9754 k = 0.5000 0.1891 0.3449 ( 4414 PWs) bands (ev): -24.7992 -24.7992 -24.7414 -24.7414 -12.4503 -12.4503 -11.8856 -11.8856 -11.4701 -11.4701 -11.4675 -11.4675 -8.5774 -8.5774 -8.4456 -8.4456 -8.3561 -8.3561 -8.1296 -8.1296 -8.0740 -8.0740 -7.9817 -7.9817 -0.7442 -0.7442 0.7085 0.7085 1.3669 1.3669 1.4193 1.4193 2.1632 2.1632 2.8407 2.8407 2.9127 2.9127 3.2278 3.2278 3.3076 3.3076 3.8706 3.8706 3.9974 3.9974 4.7074 4.7074 10.5665 10.5665 10.7043 10.7043 11.1611 11.1611 11.7456 11.7456 11.9614 11.9614 k = 0.5000 0.1991 0.3308 ( 4412 PWs) bands (ev): -24.8001 -24.8001 -24.7405 -24.7405 -12.4583 -12.4583 -11.8759 -11.8759 -11.4696 -11.4696 -11.4669 -11.4669 -8.5792 -8.5792 -8.4420 -8.4420 -8.3599 -8.3599 -8.1265 -8.1265 -8.0758 -8.0758 -7.9829 -7.9829 -0.7665 -0.7665 0.7401 0.7401 1.3546 1.3546 1.4027 1.4027 2.1642 2.1642 2.8603 2.8603 2.9178 2.9178 3.2156 3.2156 3.2816 3.2816 3.8962 3.8962 4.0007 4.0007 4.7287 4.7287 10.5497 10.5497 10.6895 10.6895 11.1620 11.1620 11.7743 11.7743 11.9498 11.9498 k = 0.5000 0.2090 0.3167 ( 4412 PWs) bands (ev): -24.8009 -24.8009 -24.7397 -24.7397 -12.4655 -12.4655 -11.8672 -11.8672 -11.4691 -11.4691 -11.4664 -11.4664 -8.5808 -8.5808 -8.4384 -8.4384 -8.3635 -8.3635 -8.1234 -8.1234 -8.0776 -8.0776 -7.9841 -7.9841 -0.7867 -0.7867 0.7700 0.7700 1.3433 1.3433 1.3862 1.3862 2.1653 2.1653 2.8791 2.8791 2.9239 2.9239 3.2029 3.2029 3.2566 3.2566 3.9199 3.9199 4.0038 4.0038 4.7481 4.7481 10.5347 10.5347 10.6759 10.6759 11.1630 11.1630 11.8022 11.8022 11.9410 11.9410 k = 0.5000 0.2190 0.3027 ( 4410 PWs) bands (ev): -24.8016 -24.8016 -24.7389 -24.7389 -12.4718 -12.4718 -11.8595 -11.8595 -11.4686 -11.4686 -11.4658 -11.4658 -8.5823 -8.5823 -8.4350 -8.4350 -8.3670 -8.3670 -8.1205 -8.1205 -8.0794 -8.0794 -7.9853 -7.9853 -0.8047 -0.8047 0.7981 0.7981 1.3331 1.3331 1.3699 1.3699 2.1667 2.1667 2.8970 2.8970 2.9309 2.9309 3.1900 3.1900 3.2328 3.2328 3.9414 3.9414 4.0067 4.0067 4.7658 4.7658 10.5216 10.5216 10.6636 10.6636 11.1640 11.1640 11.8293 11.8293 11.9354 11.9354 k = 0.5000 0.2289 0.2886 ( 4408 PWs) bands (ev): -24.8022 -24.8022 -24.7383 -24.7383 -12.4774 -12.4774 -11.8527 -11.8527 -11.4682 -11.4682 -11.4654 -11.4654 -8.5836 -8.5836 -8.4316 -8.4316 -8.3704 -8.3704 -8.1178 -8.1178 -8.0812 -8.0812 -7.9863 -7.9863 -0.8204 -0.8204 0.8241 0.8241 1.3242 1.3242 1.3543 1.3543 2.1681 2.1681 2.9139 2.9139 2.9386 2.9386 3.1770 3.1770 3.2105 3.2105 3.9604 3.9604 4.0093 4.0093 4.7814 4.7814 10.5102 10.5102 10.6528 10.6528 11.1648 11.1648 11.8555 11.8555 11.9330 11.9330 k = 0.5000 0.2389 0.2745 ( 4418 PWs) bands (ev): -24.8028 -24.8028 -24.7378 -24.7378 -12.4821 -12.4821 -11.8469 -11.8469 -11.4678 -11.4678 -11.4649 -11.4649 -8.5848 -8.5848 -8.4285 -8.4285 -8.3735 -8.3735 -8.1152 -8.1152 -8.0829 -8.0829 -7.9873 -7.9873 -0.8339 -0.8339 0.8475 0.8475 1.3166 1.3166 1.3396 1.3396 2.1694 2.1694 2.9294 2.9294 2.9469 2.9469 3.1641 3.1641 3.1903 3.1903 3.9767 3.9767 4.0117 4.0117 4.7950 4.7950 10.5005 10.5005 10.6435 10.6435 11.1655 11.1655 11.8806 11.8806 11.9341 11.9341 k = 0.5000 0.2489 0.2604 ( 4420 PWs) bands (ev): -24.8032 -24.8032 -24.7373 -24.7373 -12.4860 -12.4860 -11.8422 -11.8422 -11.4675 -11.4675 -11.4646 -11.4646 -8.5857 -8.5857 -8.4256 -8.4256 -8.3764 -8.3764 -8.1129 -8.1129 -8.0845 -8.0845 -7.9881 -7.9881 -0.8449 -0.8449 0.8679 0.8679 1.3102 1.3102 1.3264 1.3264 2.1706 2.1706 2.9431 2.9431 2.9557 2.9557 3.1514 3.1514 3.1727 3.1727 3.9900 3.9900 4.0140 4.0140 4.8062 4.8062 10.4927 10.4927 10.6359 10.6359 11.1661 11.1661 11.9046 11.9046 11.9386 11.9386 k = 0.5000 0.2588 0.2464 ( 4424 PWs) bands (ev): -24.8036 -24.8036 -24.7370 -24.7370 -12.4890 -12.4890 -11.8385 -11.8385 -11.4673 -11.4673 -11.4643 -11.4643 -8.5865 -8.5865 -8.4231 -8.4231 -8.3789 -8.3789 -8.1109 -8.1109 -8.0859 -8.0859 -7.9888 -7.9888 -0.8535 -0.8535 0.8847 0.8847 1.3052 1.3052 1.3152 1.3152 2.1716 2.1716 2.9542 2.9542 2.9647 2.9647 3.1394 3.1394 3.1585 3.1585 4.0000 4.0000 4.0162 4.0162 4.8151 4.8151 10.4866 10.4866 10.6298 10.6298 11.1664 11.1664 11.9275 11.9275 11.9464 11.9464 k = 0.5000 0.2688 0.2323 ( 4422 PWs) bands (ev): -24.8038 -24.8038 -24.7368 -24.7368 -12.4911 -12.4911 -11.8358 -11.8358 -11.4671 -11.4671 -11.4641 -11.4641 -8.5870 -8.5870 -8.4212 -8.4212 -8.3809 -8.3809 -8.1093 -8.1093 -8.0871 -8.0871 -7.9892 -7.9892 -0.8597 -0.8597 0.8973 0.8973 1.3015 1.3015 1.3068 1.3068 2.1724 2.1724 2.9624 2.9624 2.9728 2.9728 3.1291 3.1291 3.1480 3.1480 4.0065 4.0065 4.0185 4.0185 4.8215 4.8215 10.4823 10.4823 10.6255 10.6255 11.1667 11.1667 11.9490 11.9490 11.9574 11.9574 k = 0.5000 0.2787 0.2182 ( 4422 PWs) bands (ev): -24.8040 -24.8040 -24.7366 -24.7366 -12.4924 -12.4924 -11.8342 -11.8342 -11.4670 -11.4670 -11.4640 -11.4640 -8.5874 -8.5874 -8.4199 -8.4199 -8.3821 -8.3821 -8.1082 -8.1082 -8.0879 -8.0879 -7.9895 -7.9895 -0.8634 -0.8634 0.9051 0.9051 1.2988 1.2988 1.3018 1.3018 2.1728 2.1728 2.9675 2.9675 2.9786 2.9786 3.1220 3.1220 3.1415 3.1415 4.0098 4.0098 4.0205 4.0205 4.8254 4.8254 10.4797 10.4797 10.6229 10.6229 11.1668 11.1668 11.9689 11.9689 11.9709 11.9709 k = 0.5000 0.2887 0.2041 ( 4446 PWs) bands (ev): -24.8041 -24.8041 -24.7366 -24.7366 -12.4929 -12.4929 -11.8337 -11.8337 -11.4669 -11.4669 -11.4639 -11.4639 -8.5875 -8.5875 -8.4195 -8.4195 -8.3826 -8.3826 -8.1079 -8.1079 -8.0881 -8.0881 -7.9897 -7.9897 -0.8647 -0.8647 0.9078 0.9078 1.2976 1.2976 1.3004 1.3004 2.1730 2.1730 2.9693 2.9693 2.9807 2.9807 3.1194 3.1194 3.1393 3.1393 4.0107 4.0107 4.0214 4.0214 4.8267 4.8267 10.4788 10.4788 10.6220 10.6220 11.1668 11.1668 11.9808 11.9809 11.9836 11.9836 k = 0.5000 0.2887 0.2041 ( 4446 PWs) bands (ev): -24.8041 -24.8041 -24.7366 -24.7366 -12.4929 -12.4929 -11.8337 -11.8337 -11.4669 -11.4669 -11.4639 -11.4639 -8.5875 -8.5875 -8.4195 -8.4195 -8.3826 -8.3826 -8.1079 -8.1079 -8.0881 -8.0881 -7.9897 -7.9897 -0.8647 -0.8647 0.9078 0.9078 1.2976 1.2976 1.3004 1.3004 2.1730 2.1730 2.9693 2.9693 2.9807 2.9807 3.1194 3.1194 3.1393 3.1393 4.0107 4.0107 4.0214 4.0214 4.8267 4.8267 10.4788 10.4788 10.6220 10.6220 11.1668 11.1668 11.9808 11.9808 11.9836 11.9836 k = 0.4950 0.2858 0.2205 ( 4424 PWs) bands (ev): -24.8040 -24.8040 -24.7366 -24.7366 -12.4924 -12.4924 -11.8342 -11.8342 -11.4670 -11.4670 -11.4640 -11.4640 -8.5874 -8.5874 -8.4199 -8.4199 -8.3821 -8.3821 -8.1082 -8.1082 -8.0879 -8.0879 -7.9895 -7.9895 -0.8634 -0.8634 0.9051 0.9051 1.2988 1.2988 1.3019 1.3019 2.1728 2.1728 2.9675 2.9675 2.9786 2.9786 3.1220 3.1220 3.1415 3.1415 4.0098 4.0098 4.0205 4.0205 4.8254 4.8254 10.4797 10.4797 10.6229 10.6229 11.1668 11.1668 11.9693 11.9693 11.9703 11.9703 k = 0.4900 0.2829 0.2368 ( 4424 PWs) bands (ev): -24.8038 -24.8038 -24.7368 -24.7368 -12.4911 -12.4911 -11.8358 -11.8358 -11.4671 -11.4671 -11.4641 -11.4641 -8.5870 -8.5870 -8.4212 -8.4212 -8.3808 -8.3808 -8.1093 -8.1093 -8.0871 -8.0871 -7.9892 -7.9892 -0.8597 -0.8597 0.8972 0.8972 1.3015 1.3015 1.3068 1.3068 2.1723 2.1723 2.9624 2.9624 2.9727 2.9727 3.1292 3.1292 3.1480 3.1480 4.0065 4.0065 4.0185 4.0185 4.8215 4.8215 10.4823 10.4823 10.6255 10.6255 11.1667 11.1667 11.9516 11.9516 11.9541 11.9541 k = 0.4850 0.2800 0.2531 ( 4426 PWs) bands (ev): -24.8036 -24.8036 -24.7370 -24.7370 -12.4889 -12.4889 -11.8385 -11.8385 -11.4673 -11.4673 -11.4643 -11.4643 -8.5865 -8.5865 -8.4232 -8.4232 -8.3789 -8.3789 -8.1109 -8.1109 -8.0859 -8.0859 -7.9888 -7.9888 -0.8534 -0.8534 0.8845 0.8845 1.3053 1.3053 1.3153 1.3153 2.1716 2.1716 2.9545 2.9545 2.9642 2.9642 3.1398 3.1398 3.1585 3.1585 3.9999 3.9999 4.0161 4.0161 4.8150 4.8150 10.4867 10.4867 10.6299 10.6299 11.1664 11.1664 11.9339 11.9339 11.9381 11.9381 k = 0.4800 0.2771 0.2694 ( 4422 PWs) bands (ev): -24.8032 -24.8032 -24.7374 -24.7374 -12.4859 -12.4859 -11.8423 -11.8423 -11.4675 -11.4675 -11.4646 -11.4646 -8.5857 -8.5857 -8.4257 -8.4257 -8.3764 -8.3764 -8.1129 -8.1129 -8.0844 -8.0844 -7.9881 -7.9881 -0.8447 -0.8447 0.8675 0.8675 1.3103 1.3103 1.3266 1.3266 2.1706 2.1706 2.9443 2.9443 2.9540 2.9540 3.1524 3.1524 3.1724 3.1724 3.9899 3.9899 4.0138 4.0138 4.8060 4.8060 10.4928 10.4928 10.6360 10.6360 11.1660 11.1660 11.9165 11.9165 11.9229 11.9229 k = 0.4750 0.2742 0.2858 ( 4416 PWs) bands (ev): -24.8028 -24.8028 -24.7378 -24.7378 -12.4820 -12.4820 -11.8471 -11.8471 -11.4678 -11.4678 -11.4649 -11.4649 -8.5847 -8.5847 -8.4286 -8.4286 -8.3735 -8.3735 -8.1153 -8.1153 -8.0828 -8.0828 -7.9873 -7.9873 -0.8336 -0.8336 0.8470 0.8470 1.3167 1.3167 1.3399 1.3399 2.1693 2.1693 2.9325 2.9325 2.9430 2.9430 3.1663 3.1663 3.1892 3.1892 3.9767 3.9767 4.0113 4.0113 4.7947 4.7947 10.5007 10.5007 10.6437 10.6437 11.1655 11.1655 11.8992 11.8992 11.9085 11.9085 k = 0.4700 0.2714 0.3021 ( 4412 PWs) bands (ev): -24.8022 -24.8022 -24.7383 -24.7383 -12.4772 -12.4772 -11.8529 -11.8529 -11.4682 -11.4682 -11.4654 -11.4654 -8.5836 -8.5836 -8.4317 -8.4317 -8.3703 -8.3703 -8.1179 -8.1179 -8.0811 -8.0811 -7.9863 -7.9863 -0.8200 -0.8200 0.8234 0.8234 1.3244 1.3244 1.3547 1.3547 2.1680 2.1680 2.9198 2.9198 2.9313 2.9313 3.1811 3.1811 3.2080 3.2080 3.9607 3.9607 4.0084 4.0084 4.7811 4.7811 10.5105 10.5105 10.6531 10.6531 11.1647 11.1647 11.8821 11.8821 11.8948 11.8948 k = 0.4650 0.2685 0.3184 ( 4408 PWs) bands (ev): -24.8016 -24.8016 -24.7390 -24.7390 -12.4716 -12.4716 -11.8597 -11.8597 -11.4686 -11.4686 -11.4658 -11.4658 -8.5823 -8.5823 -8.4351 -8.4351 -8.3669 -8.3669 -8.1206 -8.1206 -8.0794 -8.0794 -7.9852 -7.9852 -0.8042 -0.8042 0.7973 0.7973 1.3334 1.3334 1.3705 1.3705 2.1666 2.1666 2.9064 2.9064 2.9194 2.9194 3.1967 3.1967 3.2285 3.2285 3.9422 3.9422 4.0050 4.0050 4.7655 4.7655 10.5220 10.5220 10.6640 10.6640 11.1637 11.1637 11.8648 11.8648 11.8820 11.8820 k = 0.4600 0.2656 0.3348 ( 4415 PWs) bands (ev): -24.8009 -24.8009 -24.7397 -24.7397 -12.4652 -12.4652 -11.8675 -11.8675 -11.4691 -11.4691 -11.4664 -11.4664 -8.5808 -8.5808 -8.4386 -8.4386 -8.3633 -8.3633 -8.1235 -8.1235 -8.0776 -8.0776 -7.9841 -7.9841 -0.7860 -0.7860 0.7690 0.7690 1.3436 1.3436 1.3869 1.3869 2.1651 2.1651 2.8927 2.8927 2.9073 2.9073 3.2130 3.2130 3.2499 3.2499 3.9216 3.9216 4.0009 4.0009 4.7479 4.7479 10.5353 10.5353 10.6764 10.6764 11.1624 11.1624 11.8474 11.8474 11.8699 11.8699 k = 0.4550 0.2627 0.3511 ( 4417 PWs) bands (ev): -24.8000 -24.8000 -24.7405 -24.7405 -12.4580 -12.4580 -11.8763 -11.8763 -11.4696 -11.4696 -11.4670 -11.4670 -8.5792 -8.5792 -8.4422 -8.4422 -8.3597 -8.3597 -8.1266 -8.1266 -8.0757 -8.0757 -7.9829 -7.9829 -0.7657 -0.7657 0.7389 0.7389 1.3549 1.3549 1.4036 1.4036 2.1638 2.1638 2.8789 2.8789 2.8953 2.8953 3.2298 3.2298 3.2719 3.2719 3.8993 3.8993 3.9959 3.9959 4.7287 4.7287 10.5505 10.5505 10.6901 10.6901 11.1608 11.1608 11.8295 11.8295 11.8586 11.8586 k = 0.4500 0.2598 0.3674 ( 4424 PWs) bands (ev): -24.7991 -24.7991 -24.7414 -24.7414 -12.4500 -12.4500 -11.8860 -11.8860 -11.4701 -11.4701 -11.4676 -11.4676 -8.5774 -8.5774 -8.4458 -8.4458 -8.3559 -8.3559 -8.1297 -8.1297 -8.0739 -8.0739 -7.9816 -7.9816 -0.7433 -0.7433 0.7073 0.7073 1.3673 1.3673 1.4203 1.4203 2.1625 2.1625 2.8649 2.8649 2.8833 2.8833 3.2470 3.2470 3.2940 3.2940 3.8757 3.8757 3.9901 3.9901 4.7081 4.7081 10.5674 10.5674 10.7050 10.7050 11.1591 11.1591 11.8110 11.8110 11.8481 11.8481 k = 0.4450 0.2569 0.3838 ( 4414 PWs) bands (ev): -24.7981 -24.7981 -24.7424 -24.7424 -12.4412 -12.4412 -11.8965 -11.8965 -11.4707 -11.4707 -11.4683 -11.4683 -8.5755 -8.5755 -8.4495 -8.4495 -8.3520 -8.3520 -8.1329 -8.1329 -8.0720 -8.0720 -7.9804 -7.9804 -0.7189 -0.7189 0.6743 0.6743 1.3807 1.3807 1.4369 1.4369 2.1616 2.1616 2.8508 2.8508 2.8716 2.8716 3.2647 3.2647 3.3158 3.3158 3.8514 3.8514 3.9832 3.9832 4.6864 4.6864 10.5863 10.5863 10.7212 10.7212 11.1571 11.1571 11.7916 11.7916 11.8383 11.8383 k = 0.4400 0.2540 0.4001 ( 4406 PWs) bands (ev): -24.7971 -24.7971 -24.7434 -24.7434 -12.4316 -12.4316 -11.9079 -11.9079 -11.4713 -11.4713 -11.4689 -11.4689 -8.5736 -8.5736 -8.4532 -8.4532 -8.3481 -8.3481 -8.1361 -8.1361 -8.0702 -8.0702 -7.9791 -7.9791 -0.6925 -0.6925 0.6401 0.6401 1.3949 1.3949 1.4533 1.4533 2.1609 2.1609 2.8367 2.8367 2.8603 2.8603 3.2827 3.2827 3.3366 3.3366 3.8272 3.8272 3.9752 3.9752 4.6638 4.6638 10.6069 10.6069 10.7383 10.7383 11.1551 11.1551 11.7713 11.7713 11.8293 11.8293 k = 0.4350 0.2511 0.4164 ( 4398 PWs) bands (ev): -24.7959 -24.7959 -24.7446 -24.7446 -12.4214 -12.4214 -11.9200 -11.9200 -11.4719 -11.4719 -11.4697 -11.4697 -8.5715 -8.5715 -8.4569 -8.4569 -8.3441 -8.3441 -8.1394 -8.1394 -8.0683 -8.0683 -7.9779 -7.9779 -0.6645 -0.6645 0.6050 0.6050 1.4099 1.4099 1.4692 1.4692 2.1605 2.1605 2.8226 2.8226 2.8494 2.8494 3.3010 3.3010 3.3556 3.3556 3.8040 3.8040 3.9657 3.9657 4.6408 4.6408 10.6294 10.6294 10.7564 10.7564 11.1530 11.1530 11.7496 11.7496 11.8211 11.8211 k = 0.4300 0.2483 0.4327 ( 4402 PWs) bands (ev): -24.7947 -24.7947 -24.7458 -24.7458 -12.4105 -12.4105 -11.9328 -11.9328 -11.4725 -11.4725 -11.4704 -11.4704 -8.5695 -8.5695 -8.4606 -8.4606 -8.3401 -8.3401 -8.1427 -8.1427 -8.0664 -8.0664 -7.9768 -7.9768 -0.6348 -0.6348 0.5690 0.5690 1.4255 1.4255 1.4847 1.4847 2.1606 2.1606 2.8085 2.8085 2.8390 2.8390 3.3195 3.3195 3.3719 3.3719 3.7831 3.7831 3.9548 3.9548 4.6176 4.6176 10.6535 10.6535 10.7752 10.7752 11.1508 11.1508 11.7267 11.7267 11.8134 11.8134 k = 0.4250 0.2454 0.4491 ( 4404 PWs) bands (ev): -24.7934 -24.7934 -24.7471 -24.7471 -12.3989 -12.3989 -11.9462 -11.9462 -11.4731 -11.4731 -11.4711 -11.4711 -8.5674 -8.5674 -8.4642 -8.4642 -8.3360 -8.3360 -8.1460 -8.1460 -8.0645 -8.0645 -7.9757 -7.9757 -0.6037 -0.6037 0.5324 0.5324 1.4416 1.4416 1.4996 1.4996 2.1611 2.1611 2.7944 2.7944 2.8292 2.8292 3.3383 3.3383 3.3842 3.3842 3.7658 3.7658 3.9423 3.9423 4.5946 4.5946 10.6794 10.6794 10.7946 10.7946 11.1488 11.1488 11.7023 11.7023 11.8065 11.8065 k = 0.4200 0.2425 0.4654 ( 4412 PWs) bands (ev): -24.7921 -24.7921 -24.7484 -24.7484 -12.3868 -12.3868 -11.9602 -11.9602 -11.4738 -11.4738 -11.4719 -11.4719 -8.5653 -8.5653 -8.4678 -8.4678 -8.3319 -8.3319 -8.1493 -8.1493 -8.0626 -8.0626 -7.9748 -7.9748 -0.5714 -0.5714 0.4952 0.4952 1.4580 1.4580 1.5139 1.5139 2.1621 2.1621 2.7802 2.7802 2.8201 2.8201 3.3572 3.3572 3.3912 3.3912 3.7537 3.7537 3.9279 3.9279 4.5722 4.5722 10.7069 10.7069 10.8146 10.8146 11.1468 11.1468 11.6764 11.6764 11.8002 11.8002 k = 0.4150 0.2396 0.4817 ( 4408 PWs) bands (ev): -24.7907 -24.7907 -24.7498 -24.7498 -12.3742 -12.3742 -11.9746 -11.9746 -11.4744 -11.4744 -11.4726 -11.4726 -8.5632 -8.5632 -8.4714 -8.4714 -8.3278 -8.3278 -8.1525 -8.1525 -8.0607 -8.0607 -7.9739 -7.9739 -0.5381 -0.5381 0.4577 0.4577 1.4746 1.4746 1.5276 1.5276 2.1636 2.1636 2.7660 2.7660 2.8119 2.8119 3.3760 3.3760 3.3918 3.3918 3.7482 3.7482 3.9118 3.9118 4.5507 4.5507 10.7359 10.7359 10.8349 10.8349 11.1449 11.1449 11.6491 11.6491 11.7945 11.7945 k = 0.4100 0.2367 0.4981 ( 4408 PWs) bands (ev): -24.7892 -24.7892 -24.7512 -24.7512 -12.3611 -12.3611 -11.9893 -11.9893 -11.4750 -11.4750 -11.4733 -11.4733 -8.5612 -8.5612 -8.4748 -8.4748 -8.3237 -8.3237 -8.1557 -8.1557 -8.0588 -8.0588 -7.9732 -7.9732 -0.5042 -0.5042 0.4200 0.4200 1.4910 1.4910 1.5406 1.5406 2.1657 2.1657 2.7518 2.7518 2.8047 2.8047 3.3849 3.3849 3.3956 3.3956 3.7499 3.7499 3.8938 3.8938 4.5303 4.5303 10.7662 10.7662 10.8555 10.8555 11.1430 11.1430 11.6205 11.6205 11.7894 11.7894 k = 0.4050 0.2338 0.5144 ( 4408 PWs) bands (ev): -24.7878 -24.7878 -24.7527 -24.7527 -12.3478 -12.3478 -12.0042 -12.0042 -11.4756 -11.4756 -11.4740 -11.4740 -8.5593 -8.5593 -8.4782 -8.4782 -8.3197 -8.3197 -8.1589 -8.1589 -8.0570 -8.0570 -7.9726 -7.9726 -0.4699 -0.4699 0.3825 0.3825 1.5073 1.5073 1.5528 1.5528 2.1684 2.1684 2.7375 2.7375 2.7985 2.7985 3.3726 3.3726 3.4141 3.4141 3.7584 3.7584 3.8740 3.8740 4.5114 4.5114 10.7977 10.7977 10.8763 10.8763 11.1408 11.1408 11.5908 11.5908 11.7848 11.7848 k = 0.4000 0.2309 0.5307 ( 4404 PWs) bands (ev): -24.7863 -24.7863 -24.7541 -24.7541 -12.3343 -12.3343 -12.0190 -12.0190 -11.4762 -11.4762 -11.4747 -11.4747 -8.5574 -8.5574 -8.4814 -8.4814 -8.3158 -8.3158 -8.1619 -8.1619 -8.0551 -8.0551 -7.9721 -7.9721 -0.4358 -0.4358 0.3455 0.3455 1.5230 1.5230 1.5642 1.5642 2.1716 2.1716 2.7231 2.7231 2.7935 2.7935 3.3550 3.3550 3.4325 3.4325 3.7729 3.7729 3.8527 3.8527 4.4940 4.4940 10.8300 10.8300 10.8971 10.8971 11.1382 11.1382 11.5604 11.5604 11.7807 11.7807 k = 0.3950 0.2281 0.5471 ( 4405 PWs) bands (ev): -24.7848 -24.7848 -24.7556 -24.7556 -12.3210 -12.3210 -12.0336 -12.0336 -11.4768 -11.4768 -11.4753 -11.4753 -8.5557 -8.5557 -8.4845 -8.4845 -8.3119 -8.3119 -8.1649 -8.1649 -8.0532 -8.0532 -7.9718 -7.9718 -0.4024 -0.4024 0.3095 0.3095 1.5380 1.5380 1.5748 1.5748 2.1756 2.1756 2.7087 2.7087 2.7899 2.7899 3.3339 3.3339 3.4501 3.4501 3.7919 3.7919 3.8303 3.8303 4.4784 4.4784 10.8628 10.8628 10.9177 10.9177 11.1350 11.1350 11.5296 11.5296 11.7771 11.7771 k = 0.3900 0.2252 0.5634 ( 4401 PWs) bands (ev): -24.7834 -24.7834 -24.7570 -24.7570 -12.3079 -12.3079 -12.0476 -12.0476 -11.4774 -11.4774 -11.4759 -11.4759 -8.5541 -8.5541 -8.4874 -8.4874 -8.3082 -8.3082 -8.1676 -8.1676 -8.0514 -8.0514 -7.9716 -7.9716 -0.3705 -0.3705 0.2751 0.2751 1.5521 1.5521 1.5845 1.5845 2.1802 2.1802 2.6942 2.6942 2.7877 2.7877 3.3107 3.3107 3.4666 3.4666 3.8057 3.8057 3.8160 3.8160 4.4647 4.4647 10.8956 10.8956 10.9380 10.9380 11.1307 11.1307 11.4993 11.4993 11.7739 11.7739 k = 0.3850 0.2223 0.5797 ( 4405 PWs) bands (ev): -24.7821 -24.7821 -24.7583 -24.7583 -12.2957 -12.2957 -12.0606 -12.0606 -11.4779 -11.4779 -11.4765 -11.4765 -8.5527 -8.5527 -8.4902 -8.4902 -8.3048 -8.3048 -8.1703 -8.1703 -8.0495 -8.0495 -7.9716 -7.9716 -0.3411 -0.3411 0.2432 0.2432 1.5651 1.5651 1.5932 1.5932 2.1855 2.1855 2.6797 2.6797 2.7871 2.7871 3.2865 3.2865 3.4811 3.4811 3.7841 3.7841 3.8402 3.8402 4.4527 4.4527 10.9276 10.9276 10.9572 10.9572 11.1253 11.1253 11.4703 11.4703 11.7711 11.7711 k = 0.3800 0.2194 0.5960 ( 4403 PWs) bands (ev): -24.7810 -24.7810 -24.7594 -24.7594 -12.2849 -12.2849 -12.0719 -12.0719 -11.4785 -11.4785 -11.4769 -11.4769 -8.5516 -8.5516 -8.4926 -8.4926 -8.3016 -8.3016 -8.1727 -8.1727 -8.0477 -8.0477 -7.9718 -7.9718 -0.3156 -0.3156 0.2151 0.2151 1.5766 1.5766 1.6008 1.6008 2.1916 2.1916 2.6652 2.6652 2.7882 2.7882 3.2624 3.2624 3.4923 3.4923 3.7635 3.7635 3.8670 3.8670 4.4425 4.4425 10.9578 10.9578 10.9740 10.9740 11.1193 11.1193 11.4442 11.4442 11.7686 11.7686 k = 0.3750 0.2165 0.6124 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2763 -12.2763 -12.0807 -12.0807 -11.4790 -11.4790 -11.4774 -11.4774 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2956 -0.2956 0.1923 0.1923 1.5866 1.5866 1.6073 1.6073 2.1985 2.1985 2.6507 2.6507 2.7912 2.7912 3.2390 3.2390 3.4985 3.4985 3.7467 3.7467 3.8952 3.8952 4.4339 4.4339 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.6250-0.0722 0.4082 ( 4392 PWs) bands (ev): -24.7800 -24.7800 -24.7603 -24.7603 -12.2764 -12.2764 -12.0805 -12.0805 -11.4791 -11.4791 -11.4773 -11.4773 -8.5506 -8.5506 -8.4948 -8.4948 -8.2986 -8.2986 -8.1748 -8.1748 -8.0459 -8.0459 -7.9721 -7.9721 -0.2957 -0.2957 0.1925 0.1925 1.5864 1.5864 1.6074 1.6074 2.1985 2.1985 2.6506 2.6506 2.7913 2.7913 3.2390 3.2390 3.4987 3.4987 3.7466 3.7466 3.8954 3.8954 4.4338 4.4338 10.9842 10.9842 10.9866 10.9866 11.1144 11.1144 11.4226 11.4226 11.7665 11.7665 k = 0.6167-0.0866 0.4082 ( 4400 PWs) bands (ev): -24.7788 -24.7788 -24.7615 -24.7615 -12.2646 -12.2646 -12.0923 -12.0923 -11.4799 -11.4799 -11.4780 -11.4780 -8.5494 -8.5494 -8.4982 -8.4982 -8.2940 -8.2940 -8.1783 -8.1783 -8.0428 -8.0428 -7.9728 -7.9728 -0.2688 -0.2688 0.1605 0.1605 1.6011 1.6011 1.6172 1.6172 2.2116 2.2116 2.6267 2.6267 2.7976 2.7976 3.2013 3.2013 3.5038 3.5038 3.7237 3.7237 3.9426 3.9426 4.4210 4.4210 11.0070 11.0070 11.0170 11.0170 11.1106 11.1106 11.3922 11.3922 11.7623 11.7623 k = 0.6083-0.1010 0.4082 ( 4392 PWs) bands (ev): -24.7777 -24.7777 -24.7627 -24.7627 -12.2533 -12.2533 -12.1034 -12.1034 -11.4807 -11.4807 -11.4787 -11.4787 -8.5481 -8.5481 -8.5015 -8.5015 -8.2894 -8.2894 -8.1818 -8.1818 -8.0397 -8.0397 -7.9737 -7.9737 -0.2435 -0.2435 0.1299 0.1299 1.6151 1.6151 1.6269 1.6269 2.2262 2.2262 2.6030 2.6030 2.8037 2.8037 3.1643 3.1643 3.5091 3.5091 3.7019 3.7019 3.9882 3.9882 4.4086 4.4086 11.0294 11.0294 11.0443 11.0443 11.1104 11.1104 11.3628 11.3628 11.7566 11.7566 k = 0.6000-0.1155 0.4082 ( 4392 PWs) bands (ev): -24.7766 -24.7766 -24.7638 -24.7638 -12.2426 -12.2426 -12.1137 -12.1137 -11.4815 -11.4815 -11.4795 -11.4795 -8.5469 -8.5469 -8.5049 -8.5049 -8.2847 -8.2847 -8.1853 -8.1853 -8.0365 -8.0365 -7.9748 -7.9748 -0.2198 -0.2198 0.1009 0.1009 1.6281 1.6281 1.6366 1.6366 2.2421 2.2421 2.5799 2.5799 2.8096 2.8096 3.1282 3.1282 3.5143 3.5143 3.6813 3.6813 4.0320 4.0320 4.3966 4.3966 11.0526 11.0526 11.0663 11.0663 11.1147 11.1147 11.3345 11.3345 11.7498 11.7498 k = 0.5917-0.1299 0.4082 ( 4384 PWs) bands (ev): -24.7756 -24.7756 -24.7647 -24.7647 -12.2325 -12.2325 -12.1233 -12.1233 -11.4822 -11.4822 -11.4803 -11.4803 -8.5457 -8.5457 -8.5081 -8.5081 -8.2799 -8.2799 -8.1889 -8.1889 -8.0332 -8.0332 -7.9760 -7.9760 -0.1978 -0.1978 0.0736 0.0736 1.6402 1.6402 1.6463 1.6463 2.2591 2.2591 2.5575 2.5575 2.8152 2.8152 3.0931 3.0931 3.5195 3.5195 3.6620 3.6620 4.0736 4.0736 4.3851 4.3851 11.0761 11.0761 11.0817 11.0817 11.1248 11.1248 11.3076 11.3076 11.7424 11.7424 k = 0.5833-0.1443 0.4082 ( 4396 PWs) bands (ev): -24.7747 -24.7747 -24.7657 -24.7657 -12.2231 -12.2231 -12.1322 -12.1322 -11.4829 -11.4829 -11.4811 -11.4811 -8.5446 -8.5446 -8.5112 -8.5112 -8.2752 -8.2752 -8.1924 -8.1924 -8.0300 -8.0300 -7.9774 -7.9774 -0.1776 -0.1776 0.0482 0.0482 1.6512 1.6512 1.6560 1.6560 2.2768 2.2768 2.5359 2.5359 2.8205 2.8205 3.0591 3.0591 3.5245 3.5245 3.6440 3.6440 4.1128 4.1128 4.3741 4.3741 11.0916 11.0916 11.0997 11.0997 11.1395 11.1395 11.2823 11.2823 11.7347 11.7347 k = 0.5750-0.1588 0.4082 ( 4400 PWs) bands (ev): -24.7738 -24.7738 -24.7665 -24.7665 -12.2144 -12.2144 -12.1402 -12.1402 -11.4835 -11.4835 -11.4819 -11.4819 -8.5435 -8.5435 -8.5143 -8.5143 -8.2705 -8.2705 -8.1960 -8.1960 -8.0267 -8.0267 -7.9789 -7.9789 -0.1591 -0.1591 0.0248 0.0248 1.6611 1.6611 1.6655 1.6655 2.2951 2.2951 2.5153 2.5153 2.8254 2.8254 3.0263 3.0263 3.5293 3.5293 3.6275 3.6275 4.1492 4.1492 4.3639 4.3639 11.0993 11.0993 11.1225 11.1225 11.1559 11.1559 11.2590 11.2590 11.7269 11.7269 k = 0.5667-0.1732 0.4082 ( 4400 PWs) bands (ev): -24.7731 -24.7731 -24.7673 -24.7673 -12.2065 -12.2065 -12.1474 -12.1474 -11.4841 -11.4841 -11.4826 -11.4826 -8.5425 -8.5425 -8.5171 -8.5171 -8.2658 -8.2658 -8.1996 -8.1996 -8.0235 -8.0235 -7.9806 -7.9806 -0.1425 -0.1425 0.0036 0.0036 1.6702 1.6702 1.6746 1.6746 2.3137 2.3137 2.4961 2.4961 2.8300 2.8300 2.9951 2.9951 3.5339 3.5339 3.6125 3.6125 4.1827 4.1827 4.3544 4.3544 11.1063 11.1063 11.1440 11.1440 11.1722 11.1722 11.2381 11.2381 11.7194 11.7194 k = 0.5583-0.1876 0.4082 ( 4392 PWs) bands (ev): -24.7724 -24.7724 -24.7679 -24.7679 -12.1993 -12.1993 -12.1539 -12.1539 -11.4846 -11.4846 -11.4833 -11.4833 -8.5414 -8.5414 -8.5198 -8.5198 -8.2611 -8.2611 -8.2033 -8.2033 -8.0202 -8.0202 -7.9825 -7.9825 -0.1278 -0.1278 -0.0154 -0.0154 1.6786 1.6786 1.6829 1.6829 2.3322 2.3322 2.4783 2.4783 2.8342 2.8342 2.9656 2.9656 3.5382 3.5382 3.5990 3.5990 4.2128 4.2128 4.3458 4.3458 11.1131 11.1131 11.1627 11.1627 11.1878 11.1878 11.2209 11.2209 11.7123 11.7123 k = 0.5500-0.2021 0.4082 ( 4392 PWs) bands (ev): -24.7718 -24.7718 -24.7685 -24.7685 -12.1931 -12.1931 -12.1594 -12.1594 -11.4850 -11.4850 -11.4840 -11.4840 -8.5404 -8.5404 -8.5223 -8.5223 -8.2565 -8.2565 -8.2069 -8.2069 -8.0170 -8.0170 -7.9845 -7.9845 -0.1150 -0.1150 -0.0321 -0.0321 1.6863 1.6863 1.6902 1.6902 2.3501 2.3501 2.4622 2.4622 2.8379 2.8379 2.9382 2.9382 3.5420 3.5420 3.5871 3.5871 4.2394 4.2394 4.3381 4.3381 11.1198 11.1198 11.1741 11.1741 11.2024 11.2024 11.2115 11.2115 11.7058 11.7058 k = 0.5417-0.2165 0.4082 ( 4400 PWs) bands (ev): -24.7713 -24.7713 -24.7690 -24.7690 -12.1877 -12.1877 -12.1642 -12.1642 -11.4854 -11.4854 -11.4846 -11.4846 -8.5393 -8.5393 -8.5246 -8.5246 -8.2519 -8.2519 -8.2107 -8.2107 -8.0139 -8.0139 -7.9866 -7.9866 -0.1041 -0.1041 -0.0463 -0.0463 1.6931 1.6931 1.6965 1.6965 2.3671 2.3671 2.4481 2.4481 2.8411 2.8411 2.9133 2.9133 3.5454 3.5454 3.5770 3.5770 4.2623 4.2623 4.3314 4.3314 11.1260 11.1260 11.1717 11.1717 11.2157 11.2157 11.2164 11.2164 11.7001 11.7001 k = 0.5333-0.2309 0.4082 ( 4404 PWs) bands (ev): -24.7709 -24.7709 -24.7695 -24.7695 -12.1833 -12.1833 -12.1681 -12.1681 -11.4858 -11.4858 -11.4851 -11.4851 -8.5383 -8.5383 -8.5268 -8.5268 -8.2475 -8.2475 -8.2145 -8.2145 -8.0108 -8.0108 -7.9889 -7.9889 -0.0952 -0.0952 -0.0580 -0.0580 1.6990 1.6990 1.7016 1.7016 2.3824 2.3824 2.4362 2.4362 2.8438 2.8438 2.8916 2.8916 3.5483 3.5483 3.5686 3.5686 4.2814 4.2814 4.3258 4.3258 11.1316 11.1316 11.1629 11.1629 11.2273 11.2273 11.2281 11.2281 11.6953 11.6953 k = 0.5250-0.2454 0.4082 ( 4406 PWs) bands (ev): -24.7706 -24.7706 -24.7698 -24.7698 -12.1798 -12.1798 -12.1711 -12.1711 -11.4860 -11.4860 -11.4855 -11.4855 -8.5372 -8.5372 -8.5287 -8.5287 -8.2430 -8.2430 -8.2183 -8.2183 -8.0077 -8.0077 -7.9912 -7.9912 -0.0882 -0.0882 -0.0672 -0.0672 1.7037 1.7037 1.7057 1.7057 2.3954 2.3954 2.4267 2.4267 2.8459 2.8459 2.8736 2.8736 3.5506 3.5506 3.5620 3.5620 4.2963 4.2963 4.3214 4.3214 11.1362 11.1362 11.1544 11.1544 11.2379 11.2379 11.2386 11.2386 11.6915 11.6915 k = 0.5167-0.2598 0.4082 ( 4398 PWs) bands (ev): -24.7704 -24.7704 -24.7700 -24.7700 -12.1773 -12.1773 -12.1733 -12.1733 -11.4862 -11.4862 -11.4858 -11.4858 -8.5361 -8.5361 -8.5305 -8.5305 -8.2387 -8.2387 -8.2222 -8.2222 -8.0048 -8.0048 -7.9937 -7.9937 -0.0832 -0.0832 -0.0738 -0.0738 1.7073 1.7073 1.7085 1.7085 2.4055 2.4055 2.4198 2.4198 2.8475 2.8475 2.8601 2.8601 3.5523 3.5523 3.5573 3.5573 4.3071 4.3071 4.3182 4.3182 11.1396 11.1396 11.1478 11.1478 11.2462 11.2462 11.2467 11.2467 11.6887 11.6892 k = 0.5083-0.2742 0.4082 ( 4396 PWs) bands (ev): -24.7702 -24.7702 -24.7701 -24.7701 -12.1758 -12.1758 -12.1746 -12.1746 -11.4863 -11.4863 -11.4860 -11.4860 -8.5349 -8.5349 -8.5321 -8.5321 -8.2345 -8.2345 -8.2262 -8.2262 -8.0019 -8.0019 -7.9963 -7.9963 -0.0802 -0.0802 -0.0777 -0.0777 1.7096 1.7096 1.7102 1.7102 2.4118 2.4118 2.4156 2.4156 2.8484 2.8484 2.8516 2.8516 3.5533 3.5533 3.5544 3.5544 4.3136 4.3136 4.3162 4.3162 11.1417 11.1417 11.1438 11.1438 11.2515 11.2515 11.2517 11.2517 11.6871 11.6880 k = 0.5000-0.2887 0.4082 ( 4360 PWs) bands (ev): -24.7701 -24.7701 -24.7701 -24.7701 -12.1752 -12.1752 -12.1750 -12.1750 -11.4863 -11.4863 -11.4861 -11.4861 -8.5335 -8.5335 -8.5335 -8.5335 -8.2303 -8.2303 -8.2303 -8.2303 -7.9990 -7.9990 -7.9990 -7.9990 -0.0792 -0.0792 -0.0790 -0.0790 1.7104 1.7104 1.7106 1.7106 2.4140 2.4140 2.4142 2.4142 2.8487 2.8487 2.8488 2.8488 3.5535 3.5535 3.5537 3.5537 4.3156 4.3156 4.3158 4.3158 11.1424 11.1424 11.1424 11.1424 11.2534 11.2534 11.2534 11.2534 11.6865 11.6865 Writing output data file KAlO2.save init_run : 0.30s CPU 0.42s WALL ( 1 calls) electrons : 277.34s CPU 280.76s 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 : 277.34s CPU 280.76s 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 : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 274 calls) cegterg : 260.78s CPU 263.74s WALL ( 747 calls) Called by sum_band: Called by *egterg: h_psi : 133.25s CPU 135.03s WALL ( 13794 calls) s_psi : 15.14s CPU 15.13s WALL ( 13794 calls) g_psi : 0.34s CPU 0.31s WALL ( 12773 calls) cdiaghg : 97.91s CPU 99.25s WALL ( 13047 calls) cegterg:over : 8.86s CPU 8.81s WALL ( 12773 calls) cegterg:upda : 9.80s CPU 9.77s WALL ( 12773 calls) cegterg:last : 4.12s CPU 4.17s WALL ( 1565 calls) cdiaghg:chol : 5.73s CPU 5.63s WALL ( 13047 calls) cdiaghg:inve : 3.77s CPU 3.76s WALL ( 13047 calls) cdiaghg:para : 5.97s CPU 6.09s WALL ( 26094 calls) Called by h_psi: h_psi:vloc : 112.58s CPU 114.18s WALL ( 13794 calls) h_psi:vnl : 20.29s CPU 20.51s WALL ( 13794 calls) add_vuspsi : 10.59s CPU 10.84s WALL ( 13794 calls) General routines calbec : 9.65s CPU 9.63s WALL ( 13794 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 105.56s CPU 107.02s WALL ( 1007916 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 548 calls) Parallel routines fft_scatter : 34.35s CPU 35.10s WALL ( 1007939 calls) PWSCF : 4m53.10s CPU 5m 6.06s WALL This run was terminated on: 19:34:12 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=