Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:32:20 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: ./YAl2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 54 32 9 1577 732 114 Max 55 33 10 1581 749 116 Sum 1945 1165 349 56833 26565 4111 bravais-lattice index = 14 lattice parameter (alat) = 10.4587 a.u. unit-cell volume = 808.9516 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.458735 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 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 PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Al 3.00 26.98150 Al( 1.00) Y 11.00 88.90590 Y( 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 =( 0.7500000 ) ( 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 =( 1.0000000 ) ( 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 0.1951219), 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 0.5476190), 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 0.3313954 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 0.5058139), 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 0.3313953), 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 0.2441860), 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 0.2931035 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: 56833 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 26565 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 190, 42) NL pseudopotentials 0.30 Mb ( 95, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1579) G-vector shells 0.00 Mb ( 428) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 190, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.26 Mb ( 204, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YAl2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.2 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 14.6 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.5 secs Computing kpt #: 27 total cpu time spent up to now is 15.9 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.7 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.8 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.3 secs Computing kpt #: 37 total cpu time spent up to now is 19.7 secs Computing kpt #: 38 total cpu time spent up to now is 20.1 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.0 secs Computing kpt #: 41 total cpu time spent up to now is 21.4 secs Computing kpt #: 42 total cpu time spent up to now is 21.8 secs Computing kpt #: 43 total cpu time spent up to now is 22.1 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.0 secs Computing kpt #: 46 total cpu time spent up to now is 23.4 secs Computing kpt #: 47 total cpu time spent up to now is 23.8 secs Computing kpt #: 48 total cpu time spent up to now is 24.3 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.1 secs Computing kpt #: 53 total cpu time spent up to now is 26.6 secs Computing kpt #: 54 total cpu time spent up to now is 27.0 secs Computing kpt #: 55 total cpu time spent up to now is 27.5 secs Computing kpt #: 56 total cpu time spent up to now is 28.0 secs Computing kpt #: 57 total cpu time spent up to now is 28.5 secs Computing kpt #: 58 total cpu time spent up to now is 29.0 secs Computing kpt #: 59 total cpu time spent up to now is 29.5 secs Computing kpt #: 60 total cpu time spent up to now is 30.0 secs Computing kpt #: 61 total cpu time spent up to now is 30.5 secs Computing kpt #: 62 total cpu time spent up to now is 31.0 secs Computing kpt #: 63 total cpu time spent up to now is 31.4 secs Computing kpt #: 64 total cpu time spent up to now is 31.9 secs Computing kpt #: 65 total cpu time spent up to now is 32.4 secs Computing kpt #: 66 total cpu time spent up to now is 32.8 secs Computing kpt #: 67 total cpu time spent up to now is 33.2 secs Computing kpt #: 68 total cpu time spent up to now is 33.6 secs Computing kpt #: 69 total cpu time spent up to now is 34.0 secs Computing kpt #: 70 total cpu time spent up to now is 34.4 secs Computing kpt #: 71 total cpu time spent up to now is 34.8 secs Computing kpt #: 72 total cpu time spent up to now is 35.1 secs Computing kpt #: 73 total cpu time spent up to now is 35.5 secs Computing kpt #: 74 total cpu time spent up to now is 35.9 secs Computing kpt #: 75 total cpu time spent up to now is 36.2 secs Computing kpt #: 76 total cpu time spent up to now is 36.6 secs Computing kpt #: 77 total cpu time spent up to now is 37.0 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.7 secs Computing kpt #: 80 total cpu time spent up to now is 38.1 secs Computing kpt #: 81 total cpu time spent up to now is 38.4 secs Computing kpt #: 82 total cpu time spent up to now is 38.8 secs Computing kpt #: 83 total cpu time spent up to now is 39.1 secs Computing kpt #: 84 total cpu time spent up to now is 39.5 secs Computing kpt #: 85 total cpu time spent up to now is 39.8 secs Computing kpt #: 86 total cpu time spent up to now is 40.2 secs Computing kpt #: 87 total cpu time spent up to now is 40.5 secs Computing kpt #: 88 total cpu time spent up to now is 40.9 secs Computing kpt #: 89 total cpu time spent up to now is 41.3 secs Computing kpt #: 90 total cpu time spent up to now is 41.6 secs Computing kpt #: 91 total cpu time spent up to now is 42.0 secs Computing kpt #: 92 total cpu time spent up to now is 42.3 secs Computing kpt #: 93 total cpu time spent up to now is 42.7 secs Computing kpt #: 94 total cpu time spent up to now is 43.0 secs Computing kpt #: 95 total cpu time spent up to now is 43.4 secs Computing kpt #: 96 total cpu time spent up to now is 43.9 secs Computing kpt #: 97 total cpu time spent up to now is 44.4 secs Computing kpt #: 98 total cpu time spent up to now is 44.9 secs Computing kpt #: 99 total cpu time spent up to now is 45.4 secs Computing kpt #: 100 total cpu time spent up to now is 45.8 secs Computing kpt #: 101 total cpu time spent up to now is 46.1 secs Computing kpt #: 102 total cpu time spent up to now is 46.5 secs Computing kpt #: 103 total cpu time spent up to now is 46.9 secs Computing kpt #: 104 total cpu time spent up to now is 47.3 secs Computing kpt #: 105 total cpu time spent up to now is 47.7 secs Computing kpt #: 106 total cpu time spent up to now is 48.1 secs Computing kpt #: 107 total cpu time spent up to now is 48.6 secs Computing kpt #: 108 total cpu time spent up to now is 49.1 secs Computing kpt #: 109 total cpu time spent up to now is 49.6 secs Computing kpt #: 110 total cpu time spent up to now is 50.2 secs Computing kpt #: 111 total cpu time spent up to now is 50.7 secs Computing kpt #: 112 total cpu time spent up to now is 51.2 secs Computing kpt #: 113 total cpu time spent up to now is 51.7 secs Computing kpt #: 114 total cpu time spent up to now is 52.2 secs Computing kpt #: 115 total cpu time spent up to now is 52.7 secs Computing kpt #: 116 total cpu time spent up to now is 53.2 secs Computing kpt #: 117 total cpu time spent up to now is 53.7 secs Computing kpt #: 118 total cpu time spent up to now is 54.2 secs Computing kpt #: 119 total cpu time spent up to now is 54.7 secs Computing kpt #: 120 total cpu time spent up to now is 55.2 secs Computing kpt #: 121 total cpu time spent up to now is 55.8 secs Computing kpt #: 122 total cpu time spent up to now is 56.3 secs Computing kpt #: 123 total cpu time spent up to now is 56.8 secs Computing kpt #: 124 total cpu time spent up to now is 57.2 secs Computing kpt #: 125 total cpu time spent up to now is 57.7 secs Computing kpt #: 126 total cpu time spent up to now is 58.2 secs Computing kpt #: 127 total cpu time spent up to now is 58.7 secs Computing kpt #: 128 total cpu time spent up to now is 59.2 secs Computing kpt #: 129 total cpu time spent up to now is 59.7 secs Computing kpt #: 130 total cpu time spent up to now is 60.2 secs Computing kpt #: 131 total cpu time spent up to now is 60.7 secs Computing kpt #: 132 total cpu time spent up to now is 61.2 secs Computing kpt #: 133 total cpu time spent up to now is 61.8 secs Computing kpt #: 134 total cpu time spent up to now is 62.3 secs Computing kpt #: 135 total cpu time spent up to now is 62.8 secs Computing kpt #: 136 total cpu time spent up to now is 63.3 secs Computing kpt #: 137 total cpu time spent up to now is 63.8 secs Computing kpt #: 138 total cpu time spent up to now is 64.4 secs Computing kpt #: 139 total cpu time spent up to now is 64.9 secs Computing kpt #: 140 total cpu time spent up to now is 65.4 secs Computing kpt #: 141 total cpu time spent up to now is 66.0 secs Computing kpt #: 142 total cpu time spent up to now is 66.5 secs Computing kpt #: 143 total cpu time spent up to now is 67.0 secs Computing kpt #: 144 total cpu time spent up to now is 67.7 secs Computing kpt #: 145 total cpu time spent up to now is 68.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.1 secs Computing kpt #: 147 total cpu time spent up to now is 70.3 secs Computing kpt #: 148 total cpu time spent up to now is 70.8 secs Computing kpt #: 149 total cpu time spent up to now is 71.2 secs Computing kpt #: 150 total cpu time spent up to now is 71.6 secs Computing kpt #: 151 total cpu time spent up to now is 72.0 secs Computing kpt #: 152 total cpu time spent up to now is 72.4 secs Computing kpt #: 153 total cpu time spent up to now is 72.8 secs Computing kpt #: 154 total cpu time spent up to now is 73.2 secs Computing kpt #: 155 total cpu time spent up to now is 73.6 secs Computing kpt #: 156 total cpu time spent up to now is 74.0 secs Computing kpt #: 157 total cpu time spent up to now is 74.4 secs Computing kpt #: 158 total cpu time spent up to now is 74.9 secs Computing kpt #: 159 total cpu time spent up to now is 75.3 secs Computing kpt #: 160 total cpu time spent up to now is 75.7 secs Computing kpt #: 161 total cpu time spent up to now is 76.0 secs Computing kpt #: 162 total cpu time spent up to now is 76.4 secs Computing kpt #: 163 total cpu time spent up to now is 76.8 secs Computing kpt #: 164 total cpu time spent up to now is 77.3 secs Computing kpt #: 165 total cpu time spent up to now is 77.7 secs Computing kpt #: 166 total cpu time spent up to now is 78.1 secs Computing kpt #: 167 total cpu time spent up to now is 78.5 secs Computing kpt #: 168 total cpu time spent up to now is 78.9 secs Computing kpt #: 169 total cpu time spent up to now is 79.3 secs Computing kpt #: 170 total cpu time spent up to now is 79.7 secs Computing kpt #: 171 total cpu time spent up to now is 80.3 secs Computing kpt #: 172 total cpu time spent up to now is 80.7 secs Computing kpt #: 173 total cpu time spent up to now is 81.0 secs Computing kpt #: 174 total cpu time spent up to now is 81.4 secs Computing kpt #: 175 total cpu time spent up to now is 81.8 secs Computing kpt #: 176 total cpu time spent up to now is 82.2 secs Computing kpt #: 177 total cpu time spent up to now is 82.5 secs Computing kpt #: 178 total cpu time spent up to now is 82.9 secs Computing kpt #: 179 total cpu time spent up to now is 83.3 secs Computing kpt #: 180 total cpu time spent up to now is 83.6 secs Computing kpt #: 181 total cpu time spent up to now is 84.0 secs Computing kpt #: 182 total cpu time spent up to now is 84.3 secs Computing kpt #: 183 total cpu time spent up to now is 84.7 secs Computing kpt #: 184 total cpu time spent up to now is 85.0 secs Computing kpt #: 185 total cpu time spent up to now is 85.4 secs Computing kpt #: 186 total cpu time spent up to now is 85.8 secs Computing kpt #: 187 total cpu time spent up to now is 86.1 secs Computing kpt #: 188 total cpu time spent up to now is 86.5 secs Computing kpt #: 189 total cpu time spent up to now is 86.9 secs Computing kpt #: 190 total cpu time spent up to now is 87.2 secs Computing kpt #: 191 total cpu time spent up to now is 87.6 secs Computing kpt #: 192 total cpu time spent up to now is 88.0 secs Computing kpt #: 193 total cpu time spent up to now is 88.3 secs Computing kpt #: 194 total cpu time spent up to now is 88.7 secs Computing kpt #: 195 total cpu time spent up to now is 89.1 secs Computing kpt #: 196 total cpu time spent up to now is 89.5 secs Computing kpt #: 197 total cpu time spent up to now is 89.8 secs Computing kpt #: 198 total cpu time spent up to now is 90.2 secs Computing kpt #: 199 total cpu time spent up to now is 90.6 secs Computing kpt #: 200 total cpu time spent up to now is 91.0 secs Computing kpt #: 201 total cpu time spent up to now is 91.4 secs Computing kpt #: 202 total cpu time spent up to now is 91.9 secs Computing kpt #: 203 total cpu time spent up to now is 92.4 secs Computing kpt #: 204 total cpu time spent up to now is 92.8 secs Computing kpt #: 205 total cpu time spent up to now is 93.2 secs Computing kpt #: 206 total cpu time spent up to now is 93.6 secs Computing kpt #: 207 total cpu time spent up to now is 94.0 secs Computing kpt #: 208 total cpu time spent up to now is 94.4 secs Computing kpt #: 209 total cpu time spent up to now is 94.8 secs Computing kpt #: 210 total cpu time spent up to now is 95.1 secs Computing kpt #: 211 total cpu time spent up to now is 95.5 secs Computing kpt #: 212 total cpu time spent up to now is 95.9 secs Computing kpt #: 213 total cpu time spent up to now is 96.2 secs Computing kpt #: 214 total cpu time spent up to now is 96.6 secs Computing kpt #: 215 total cpu time spent up to now is 97.0 secs Computing kpt #: 216 total cpu time spent up to now is 97.3 secs Computing kpt #: 217 total cpu time spent up to now is 97.7 secs Computing kpt #: 218 total cpu time spent up to now is 98.1 secs Computing kpt #: 219 total cpu time spent up to now is 98.5 secs Computing kpt #: 220 total cpu time spent up to now is 98.9 secs Computing kpt #: 221 total cpu time spent up to now is 99.3 secs Computing kpt #: 222 total cpu time spent up to now is 99.7 secs Computing kpt #: 223 total cpu time spent up to now is 100.1 secs Computing kpt #: 224 total cpu time spent up to now is 100.4 secs Computing kpt #: 225 total cpu time spent up to now is 100.8 secs Computing kpt #: 226 total cpu time spent up to now is 101.2 secs Computing kpt #: 227 total cpu time spent up to now is 101.6 secs Computing kpt #: 228 total cpu time spent up to now is 102.0 secs Computing kpt #: 229 total cpu time spent up to now is 102.4 secs Computing kpt #: 230 total cpu time spent up to now is 102.8 secs Computing kpt #: 231 total cpu time spent up to now is 103.2 secs Computing kpt #: 232 total cpu time spent up to now is 103.6 secs Computing kpt #: 233 total cpu time spent up to now is 104.0 secs Computing kpt #: 234 total cpu time spent up to now is 104.4 secs Computing kpt #: 235 total cpu time spent up to now is 104.8 secs Computing kpt #: 236 total cpu time spent up to now is 105.2 secs Computing kpt #: 237 total cpu time spent up to now is 105.6 secs Computing kpt #: 238 total cpu time spent up to now is 106.1 secs Computing kpt #: 239 total cpu time spent up to now is 106.5 secs Computing kpt #: 240 total cpu time spent up to now is 106.9 secs Computing kpt #: 241 total cpu time spent up to now is 107.3 secs Computing kpt #: 242 total cpu time spent up to now is 107.7 secs Computing kpt #: 243 total cpu time spent up to now is 108.1 secs Computing kpt #: 244 total cpu time spent up to now is 108.5 secs Computing kpt #: 245 total cpu time spent up to now is 108.9 secs Computing kpt #: 246 total cpu time spent up to now is 109.3 secs Computing kpt #: 247 total cpu time spent up to now is 109.6 secs Computing kpt #: 248 total cpu time spent up to now is 110.0 secs Computing kpt #: 249 total cpu time spent up to now is 110.4 secs Computing kpt #: 250 total cpu time spent up to now is 110.7 secs Computing kpt #: 251 total cpu time spent up to now is 111.1 secs Computing kpt #: 252 total cpu time spent up to now is 111.5 secs Computing kpt #: 253 total cpu time spent up to now is 111.8 secs Computing kpt #: 254 total cpu time spent up to now is 112.2 secs Computing kpt #: 255 total cpu time spent up to now is 112.5 secs Computing kpt #: 256 total cpu time spent up to now is 112.9 secs Computing kpt #: 257 total cpu time spent up to now is 113.2 secs Computing kpt #: 258 total cpu time spent up to now is 113.6 secs Computing kpt #: 259 total cpu time spent up to now is 114.0 secs Computing kpt #: 260 total cpu time spent up to now is 114.3 secs Computing kpt #: 261 total cpu time spent up to now is 114.7 secs Computing kpt #: 262 total cpu time spent up to now is 115.1 secs Computing kpt #: 263 total cpu time spent up to now is 115.5 secs Computing kpt #: 264 total cpu time spent up to now is 115.9 secs Computing kpt #: 265 total cpu time spent up to now is 116.3 secs Computing kpt #: 266 total cpu time spent up to now is 116.7 secs Computing kpt #: 267 total cpu time spent up to now is 117.1 secs Computing kpt #: 268 total cpu time spent up to now is 117.5 secs Computing kpt #: 269 total cpu time spent up to now is 117.8 secs Computing kpt #: 270 total cpu time spent up to now is 118.2 secs Computing kpt #: 271 total cpu time spent up to now is 118.6 secs Computing kpt #: 272 total cpu time spent up to now is 119.0 secs Computing kpt #: 273 total cpu time spent up to now is 119.4 secs Computing kpt #: 274 total cpu time spent up to now is 119.8 secs ethr = 2.94E-08, avg # of iterations = 20.0 total cpu time spent up to now is 119.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -32.7369 -32.7369 -32.6478 -32.6478 -13.8571 -13.8571 -13.6258 -13.6258 -12.4526 -12.4526 -12.4526 -12.4526 -12.1824 -12.1824 -12.1824 -12.1824 0.3275 0.3275 5.8028 5.8028 6.8371 6.8371 6.8500 6.8500 6.8500 6.8500 7.1039 7.1039 7.1688 7.1688 7.1688 7.1688 7.4880 7.4880 7.4880 7.4880 10.1890 10.1890 12.0151 12.0151 12.1434 12.1434 k = 0.0122-0.0070 0.0100 ( 3343 PWs) bands (ev): -32.7367 -32.7367 -32.6478 -32.6478 -13.8570 -13.8570 -13.6259 -13.6259 -12.4526 -12.4526 -12.4525 -12.4525 -12.1825 -12.1825 -12.1824 -12.1824 0.3290 0.3290 5.7918 5.7918 6.8274 6.8274 6.8350 6.8350 6.8480 6.8480 7.1130 7.1130 7.1721 7.1721 7.1829 7.1829 7.4893 7.4893 7.5005 7.5005 10.1954 10.1954 12.0136 12.0136 12.1414 12.1415 k = 0.0244-0.0141 0.0199 ( 3335 PWs) bands (ev): -32.7365 -32.7365 -32.6479 -32.6479 -13.8568 -13.8568 -13.6262 -13.6262 -12.4525 -12.4525 -12.4524 -12.4524 -12.1826 -12.1826 -12.1824 -12.1824 0.3335 0.3335 5.7595 5.7595 6.7967 6.7967 6.7979 6.7979 6.8485 6.8485 7.1186 7.1186 7.1961 7.1961 7.2205 7.2205 7.4931 7.4931 7.5368 7.5368 10.2147 10.2147 12.0088 12.0088 12.1354 12.1354 k = 0.0366-0.0211 0.0299 ( 3335 PWs) bands (ev): -32.7364 -32.7364 -32.6481 -32.6481 -13.8565 -13.8565 -13.6268 -13.6268 -12.4524 -12.4524 -12.4521 -12.4521 -12.1828 -12.1828 -12.1825 -12.1825 0.3411 0.3411 5.7084 5.7084 6.7503 6.7503 6.7539 6.7539 6.8518 6.8518 7.1040 7.1040 7.2463 7.2463 7.2730 7.2730 7.4994 7.4994 7.5937 7.5937 10.2461 10.2461 12.0007 12.0007 12.1256 12.1256 k = 0.0488-0.0282 0.0398 ( 3335 PWs) bands (ev): -32.7361 -32.7361 -32.6483 -32.6483 -13.8561 -13.8561 -13.6277 -13.6277 -12.4523 -12.4523 -12.4518 -12.4518 -12.1830 -12.1830 -12.1825 -12.1825 0.3516 0.3516 5.6419 5.6419 6.6985 6.6985 6.7056 6.7056 6.8574 6.8574 7.0771 7.0771 7.3089 7.3089 7.3343 7.3343 7.5083 7.5083 7.6672 7.6672 10.2892 10.2892 11.9892 11.9892 12.1125 12.1125 k = 0.0610-0.0352 0.0498 ( 3347 PWs) bands (ev): -32.7359 -32.7359 -32.6486 -32.6486 -13.8555 -13.8555 -13.6287 -13.6287 -12.4522 -12.4522 -12.4514 -12.4514 -12.1833 -12.1833 -12.1825 -12.1825 0.3652 0.3652 5.5632 5.5632 6.6455 6.6455 6.6553 6.6553 6.8655 6.8655 7.0421 7.0421 7.3778 7.3778 7.4015 7.4015 7.5198 7.5198 7.7534 7.7534 10.3428 10.3428 11.9743 11.9743 12.0965 12.0965 k = 0.0732-0.0422 0.0597 ( 3351 PWs) bands (ev): -32.7355 -32.7355 -32.6490 -32.6490 -13.8548 -13.8548 -13.6300 -13.6300 -12.4520 -12.4520 -12.4508 -12.4508 -12.1837 -12.1837 -12.1825 -12.1825 0.3816 0.3816 5.4754 5.4754 6.5926 6.5926 6.6044 6.6044 6.8762 6.8762 7.0006 7.0006 7.4508 7.4508 7.4727 7.4727 7.5337 7.5337 7.8487 7.8487 10.4060 10.4060 11.9558 11.9558 12.0781 12.0781 k = 0.0854-0.0493 0.0697 ( 3339 PWs) bands (ev): -32.7351 -32.7351 -32.6494 -32.6494 -13.8540 -13.8540 -13.6316 -13.6316 -12.4518 -12.4518 -12.4502 -12.4502 -12.1841 -12.1841 -12.1825 -12.1825 0.4011 0.4011 5.3810 5.3810 6.5406 6.5406 6.5539 6.5539 6.8892 6.8892 6.9538 6.9538 7.5268 7.5268 7.5472 7.5472 7.5502 7.5502 7.9497 7.9497 10.4774 10.4774 11.9343 11.9343 12.0580 12.0580 k = 0.0976-0.0563 0.0797 ( 3339 PWs) bands (ev): -32.7346 -32.7346 -32.6498 -32.6498 -13.8531 -13.8531 -13.6333 -13.6333 -12.4516 -12.4516 -12.4496 -12.4496 -12.1846 -12.1846 -12.1826 -12.1826 0.4234 0.4234 5.2819 5.2819 6.4898 6.4898 6.5043 6.5043 6.9030 6.9030 6.9044 6.9044 7.5692 7.5692 7.6054 7.6054 7.6242 7.6242 8.0541 8.0541 10.5560 10.5560 11.9102 11.9102 12.0365 12.0365 k = 0.1098-0.0634 0.0896 ( 3355 PWs) bands (ev): -32.7341 -32.7341 -32.6504 -32.6504 -13.8521 -13.8521 -13.6353 -13.6353 -12.4513 -12.4513 -12.4488 -12.4488 -12.1851 -12.1851 -12.1826 -12.1826 0.4485 0.4485 5.1797 5.1797 6.4404 6.4404 6.4559 6.4559 6.8489 6.8489 6.9216 6.9216 7.5908 7.5908 7.6860 7.6860 7.7035 7.7035 8.1593 8.1593 10.6404 10.6404 11.8848 11.8848 12.0140 12.0140 k = 0.1220-0.0704 0.0996 ( 3347 PWs) bands (ev): -32.7335 -32.7335 -32.6510 -32.6510 -13.8509 -13.8509 -13.6374 -13.6374 -12.4510 -12.4510 -12.4480 -12.4480 -12.1857 -12.1857 -12.1827 -12.1827 0.4765 0.4765 5.0755 5.0755 6.3926 6.3926 6.4088 6.4088 6.7926 6.7926 6.9404 6.9404 7.6149 7.6149 7.7685 7.7685 7.7849 7.7849 8.2633 8.2633 10.7294 10.7294 11.8595 11.8595 11.9905 11.9905 k = 0.1341-0.0774 0.1095 ( 3339 PWs) bands (ev): -32.7328 -32.7328 -32.6516 -32.6516 -13.8496 -13.8496 -13.6398 -13.6398 -12.4507 -12.4507 -12.4471 -12.4471 -12.1863 -12.1863 -12.1828 -12.1828 0.5073 0.5073 4.9703 4.9703 6.3464 6.3464 6.3633 6.3633 6.7348 6.7348 6.9607 6.9607 7.6415 7.6415 7.8528 7.8528 7.8680 7.8680 8.3643 8.3643 10.8217 10.8217 11.8362 11.8362 11.9662 11.9662 k = 0.1463-0.0845 0.1195 ( 3323 PWs) bands (ev): -32.7321 -32.7321 -32.6523 -32.6523 -13.8482 -13.8482 -13.6424 -13.6424 -12.4504 -12.4504 -12.4462 -12.4462 -12.1869 -12.1869 -12.1828 -12.1828 0.5407 0.5407 4.8646 4.8646 6.3020 6.3020 6.3194 6.3194 6.6762 6.6762 6.9819 6.9819 7.6706 7.6706 7.9387 7.9387 7.9528 7.9528 8.4603 8.4603 10.9162 10.9162 11.8165 11.8165 11.9414 11.9414 k = 0.1585-0.0915 0.1294 ( 3331 PWs) bands (ev): -32.7313 -32.7313 -32.6531 -32.6531 -13.8467 -13.8467 -13.6451 -13.6451 -12.4500 -12.4500 -12.4453 -12.4453 -12.1876 -12.1876 -12.1829 -12.1829 0.5769 0.5769 4.7591 4.7591 6.2593 6.2593 6.2770 6.2770 6.6176 6.6176 7.0037 7.0037 7.7022 7.7022 8.0259 8.0259 8.0391 8.0391 8.5498 8.5498 11.0115 11.0115 11.8015 11.8015 11.9171 11.9171 k = 0.1707-0.0986 0.1394 ( 3335 PWs) bands (ev): -32.7305 -32.7305 -32.6540 -32.6540 -13.8450 -13.8450 -13.6481 -13.6481 -12.4496 -12.4496 -12.4443 -12.4443 -12.1882 -12.1882 -12.1830 -12.1830 0.6156 0.6156 4.6540 4.6540 6.2183 6.2183 6.2363 6.2363 6.5594 6.5594 7.0256 7.0256 7.7364 7.7364 8.1145 8.1145 8.1267 8.1267 8.6313 8.6313 11.1064 11.1064 11.7909 11.7909 11.8959 11.8959 k = 0.1829-0.1056 0.1494 ( 3331 PWs) bands (ev): -32.7296 -32.7296 -32.6549 -32.6549 -13.8433 -13.8433 -13.6512 -13.6512 -12.4492 -12.4492 -12.4433 -12.4433 -12.1889 -12.1889 -12.1832 -12.1832 0.6568 0.6568 4.5498 4.5498 6.1791 6.1791 6.1972 6.1972 6.5022 6.5022 7.0470 7.0470 7.7731 7.7731 8.2042 8.2042 8.2155 8.2155 8.7038 8.7038 11.1997 11.1997 11.7803 11.7803 11.8840 11.8840 k = 0.1951-0.1127 0.1593 ( 3335 PWs) bands (ev): -32.7286 -32.7286 -32.6558 -32.6558 -13.8414 -13.8414 -13.6544 -13.6544 -12.4487 -12.4487 -12.4423 -12.4423 -12.1896 -12.1896 -12.1833 -12.1833 0.7004 0.7004 4.4467 4.4467 6.1416 6.1416 6.1598 6.1598 6.4464 6.4464 7.0674 7.0674 7.8122 7.8122 8.2949 8.2949 8.3053 8.3053 8.7666 8.7666 11.2900 11.2900 11.7622 11.7622 11.8727 11.8727 k = 0.2073-0.1197 0.1693 ( 3335 PWs) bands (ev): -32.7276 -32.7276 -32.6568 -32.6568 -13.8394 -13.8394 -13.6578 -13.6578 -12.4482 -12.4482 -12.4413 -12.4413 -12.1903 -12.1903 -12.1834 -12.1834 0.7465 0.7465 4.3448 4.3448 6.1059 6.1059 6.1241 6.1241 6.3925 6.3925 7.0860 7.0860 7.8539 7.8539 8.3864 8.3864 8.3960 8.3960 8.8198 8.8198 11.3759 11.3759 11.7344 11.7344 11.8354 11.8354 k = 0.2195-0.1267 0.1792 ( 3343 PWs) bands (ev): -32.7266 -32.7266 -32.6579 -32.6579 -13.8373 -13.8373 -13.6614 -13.6614 -12.4477 -12.4477 -12.4403 -12.4403 -12.1909 -12.1909 -12.1836 -12.1836 0.7948 0.7948 4.2443 4.2443 6.0719 6.0719 6.0900 6.0900 6.3408 6.3408 7.1020 7.1020 7.8981 7.8981 8.4786 8.4786 8.4875 8.4875 8.8639 8.8639 11.4561 11.4561 11.6997 11.6997 11.7955 11.7955 k = 0.2317-0.1338 0.1892 ( 3343 PWs) bands (ev): -32.7255 -32.7255 -32.6590 -32.6590 -13.8350 -13.8350 -13.6651 -13.6651 -12.4472 -12.4472 -12.4393 -12.4393 -12.1915 -12.1915 -12.1838 -12.1838 0.8453 0.8453 4.1452 4.1452 6.0397 6.0397 6.0575 6.0575 6.2917 6.2917 7.1146 7.1146 7.9447 7.9447 8.5713 8.5713 8.5796 8.5796 8.9000 8.9000 11.5292 11.5292 11.6606 11.6606 11.7530 11.7530 k = 0.2439-0.1408 0.1991 ( 3339 PWs) bands (ev): -32.7243 -32.7243 -32.6602 -32.6602 -13.8327 -13.8327 -13.6689 -13.6689 -12.4466 -12.4466 -12.4383 -12.4383 -12.1921 -12.1921 -12.1840 -12.1840 0.8979 0.8979 4.0477 4.0477 6.0091 6.0091 6.0267 6.0267 6.2454 6.2454 7.1228 7.1228 7.9938 7.9938 8.6643 8.6643 8.6721 8.6721 8.9301 8.9301 11.5935 11.5935 11.6182 11.6182 11.7081 11.7081 k = 0.2561-0.1479 0.2091 ( 3343 PWs) bands (ev): -32.7231 -32.7231 -32.6614 -32.6614 -13.8303 -13.8303 -13.6728 -13.6728 -12.4460 -12.4460 -12.4374 -12.4374 -12.1927 -12.1927 -12.1842 -12.1842 0.9525 0.9525 3.9518 3.9518 5.9802 5.9802 5.9975 5.9975 6.2022 6.2022 7.1259 7.1259 8.0454 8.0454 8.7575 8.7575 8.7648 8.7648 8.9561 8.9561 11.5731 11.5731 11.6470 11.6470 11.6616 11.6616 k = 0.2683-0.1549 0.2191 ( 3343 PWs) bands (ev): -32.7219 -32.7219 -32.6626 -32.6626 -13.8277 -13.8277 -13.6768 -13.6768 -12.4454 -12.4454 -12.4366 -12.4366 -12.1932 -12.1932 -12.1845 -12.1845 1.0090 1.0090 3.8575 3.8575 5.9530 5.9530 5.9698 5.9698 6.1623 6.1623 7.1230 7.1230 8.0994 8.0994 8.8506 8.8506 8.8575 8.8575 8.9803 8.9803 11.5259 11.5259 11.6111 11.6111 11.6910 11.6910 k = 0.2805-0.1619 0.2290 ( 3343 PWs) bands (ev): -32.7206 -32.7206 -32.6639 -32.6639 -13.8250 -13.8250 -13.6809 -13.6809 -12.4448 -12.4448 -12.4357 -12.4357 -12.1937 -12.1937 -12.1848 -12.1848 1.0673 1.0673 3.7648 3.7648 5.9274 5.9274 5.9437 5.9437 6.1261 6.1261 7.1135 7.1135 8.1559 8.1559 8.9435 8.9435 8.9501 8.9501 9.0051 9.0051 11.4768 11.4768 11.5598 11.5598 11.6041 11.6041 k = 0.2927-0.1690 0.2390 ( 3335 PWs) bands (ev): -32.7192 -32.7192 -32.6652 -32.6652 -13.8222 -13.8222 -13.6851 -13.6851 -12.4442 -12.4442 -12.4350 -12.4350 -12.1941 -12.1941 -12.1851 -12.1851 1.1273 1.1273 3.6736 3.6736 5.9034 5.9034 5.9191 5.9191 6.0936 6.0936 7.0969 7.0969 8.2148 8.2148 9.0313 9.0313 9.0359 9.0359 9.0433 9.0433 11.4262 11.4262 11.4836 11.4836 11.5067 11.5067 k = 0.3049-0.1760 0.2489 ( 3327 PWs) bands (ev): -32.7179 -32.7179 -32.6666 -32.6666 -13.8193 -13.8193 -13.6894 -13.6894 -12.4435 -12.4435 -12.4343 -12.4343 -12.1945 -12.1945 -12.1854 -12.1854 1.1889 1.1889 3.5841 3.5841 5.8810 5.8810 5.8961 5.8961 6.0651 6.0651 7.0731 7.0731 8.2762 8.2762 9.0635 9.0635 9.1277 9.1277 9.1343 9.1343 11.3625 11.3625 11.3748 11.3748 11.4522 11.4522 k = 0.3171-0.1831 0.2589 ( 3339 PWs) bands (ev): -32.7165 -32.7165 -32.6680 -32.6680 -13.8164 -13.8164 -13.6937 -13.6937 -12.4428 -12.4428 -12.4336 -12.4336 -12.1948 -12.1948 -12.1857 -12.1857 1.2519 1.2519 3.4960 3.4960 5.8601 5.8601 5.8745 5.8745 6.0408 6.0408 7.0421 7.0421 8.3400 8.3400 9.1005 9.1005 9.2185 9.2185 9.2252 9.2252 11.2427 11.2427 11.3214 11.3214 11.3965 11.3965 k = 0.3293-0.1901 0.2688 ( 3347 PWs) bands (ev): -32.7151 -32.7151 -32.6695 -32.6695 -13.8133 -13.8133 -13.6981 -13.6981 -12.4422 -12.4422 -12.4331 -12.4331 -12.1951 -12.1951 -12.1861 -12.1861 1.3163 1.3163 3.4093 3.4093 5.8408 5.8408 5.8544 5.8544 6.0207 6.0207 7.0044 7.0044 8.4061 8.4061 9.1437 9.1437 9.3083 9.3083 9.3152 9.3152 11.1230 11.1230 11.2675 11.2675 11.3397 11.3397 k = 0.3415-0.1971 0.2788 ( 3347 PWs) bands (ev): -32.7136 -32.7136 -32.6710 -32.6710 -13.8101 -13.8101 -13.7025 -13.7025 -12.4415 -12.4415 -12.4326 -12.4326 -12.1952 -12.1952 -12.1865 -12.1865 1.3819 1.3819 3.3241 3.3241 5.8229 5.8229 5.8358 5.8358 6.0051 6.0051 6.9606 6.9606 8.4747 8.4747 9.1938 9.1938 9.3967 9.3967 9.4040 9.4040 11.0039 11.0039 11.2129 11.2129 11.2821 11.2821 k = 0.3537-0.2042 0.2888 ( 3338 PWs) bands (ev): -32.7120 -32.7120 -32.6725 -32.6725 -13.8068 -13.8068 -13.7070 -13.7070 -12.4408 -12.4408 -12.4322 -12.4322 -12.1954 -12.1954 -12.1869 -12.1869 1.4487 1.4487 3.2402 3.2402 5.8065 5.8065 5.8186 5.8186 5.9940 5.9940 6.9115 6.9115 8.5457 8.5457 9.2508 9.2508 9.4836 9.4836 9.4914 9.4914 10.8857 10.8857 11.1578 11.1578 11.2239 11.2239 k = 0.3659-0.2112 0.2987 ( 3346 PWs) bands (ev): -32.7105 -32.7105 -32.6741 -32.6741 -13.8034 -13.8034 -13.7115 -13.7115 -12.4401 -12.4401 -12.4319 -12.4319 -12.1954 -12.1954 -12.1873 -12.1873 1.5165 1.5165 3.1575 3.1575 5.7916 5.7916 5.8028 5.8028 5.9875 5.9875 6.8580 6.8580 8.6189 8.6189 9.3147 9.3147 9.5688 9.5688 9.5773 9.5773 10.7684 10.7684 11.1022 11.1022 11.1652 11.1652 k = 0.3780-0.2183 0.3087 ( 3346 PWs) bands (ev): -32.7089 -32.7089 -32.6756 -32.6756 -13.7999 -13.7999 -13.7160 -13.7160 -12.4394 -12.4394 -12.4316 -12.4316 -12.1954 -12.1954 -12.1878 -12.1878 1.5852 1.5852 3.0760 3.0760 5.7781 5.7781 5.7884 5.7884 5.9858 5.9858 6.8010 6.8010 8.6946 8.6946 9.3852 9.3852 9.6520 9.6520 9.6614 9.6614 10.6523 10.6523 11.0464 11.0464 11.1062 11.1062 k = 0.3902-0.2253 0.3186 ( 3326 PWs) bands (ev): -32.7073 -32.7073 -32.6772 -32.6772 -13.7963 -13.7963 -13.7205 -13.7205 -12.4387 -12.4387 -12.4315 -12.4315 -12.1954 -12.1954 -12.1882 -12.1882 1.6548 1.6548 2.9955 2.9955 5.7660 5.7660 5.7754 5.7754 5.9888 5.9888 6.7417 6.7417 8.7725 8.7725 9.4619 9.4619 9.7331 9.7331 9.7434 9.7434 10.5375 10.5375 10.9905 10.9905 11.0469 11.0469 k = 0.4024-0.2323 0.3286 ( 3326 PWs) bands (ev): -32.7056 -32.7056 -32.6788 -32.6788 -13.7927 -13.7927 -13.7251 -13.7251 -12.4380 -12.4380 -12.4314 -12.4314 -12.1953 -12.1953 -12.1887 -12.1887 1.7251 1.7251 2.9161 2.9161 5.7552 5.7552 5.7637 5.7637 5.9967 5.9967 6.6808 6.6808 8.8528 8.8528 9.5445 9.5445 9.8119 9.8119 9.8233 9.8233 10.4240 10.4240 10.9346 10.9346 10.9876 10.9876 k = 0.4146-0.2394 0.3385 ( 3326 PWs) bands (ev): -32.7040 -32.7040 -32.6805 -32.6805 -13.7889 -13.7889 -13.7296 -13.7296 -12.4373 -12.4373 -12.4314 -12.4314 -12.1951 -12.1951 -12.1892 -12.1892 1.7960 1.7960 2.8375 2.8375 5.7459 5.7459 5.7534 5.7534 6.0094 6.0094 6.6192 6.6192 8.9353 8.9353 9.6325 9.6325 9.8881 9.8881 9.9006 9.9006 10.3121 10.3121 10.8789 10.8789 10.9283 10.9283 k = 0.4268-0.2464 0.3485 ( 3318 PWs) bands (ev): -32.7024 -32.7024 -32.6821 -32.6821 -13.7851 -13.7851 -13.7341 -13.7341 -12.4367 -12.4367 -12.4314 -12.4314 -12.1949 -12.1949 -12.1897 -12.1897 1.8675 1.8675 2.7597 2.7597 5.7379 5.7379 5.7444 5.7444 6.0268 6.0268 6.5578 6.5578 9.0201 9.0201 9.7255 9.7255 9.9614 9.9614 9.9749 9.9749 10.2020 10.2020 10.8236 10.8236 10.8693 10.8693 k = 0.4390-0.2535 0.3585 ( 3318 PWs) bands (ev): -32.7007 -32.7007 -32.6837 -32.6837 -13.7812 -13.7812 -13.7386 -13.7386 -12.4360 -12.4360 -12.4316 -12.4316 -12.1946 -12.1946 -12.1902 -12.1902 1.9395 1.9395 2.6827 2.6827 5.7312 5.7312 5.7367 5.7367 6.0490 6.0490 6.4972 6.4972 9.1071 9.1071 9.8228 9.8228 10.0315 10.0315 10.0432 10.0432 10.0961 10.0961 10.7694 10.7694 10.8110 10.8110 k = 0.4512-0.2605 0.3684 ( 3318 PWs) bands (ev): -32.6990 -32.6990 -32.6854 -32.6854 -13.7772 -13.7772 -13.7430 -13.7430 -12.4354 -12.4354 -12.4318 -12.4318 -12.1943 -12.1943 -12.1907 -12.1907 2.0120 2.0120 2.6063 2.6063 5.7259 5.7259 5.7303 5.7303 6.0759 6.0759 6.4382 6.4382 9.1963 9.1963 9.9231 9.9231 9.9850 9.9850 10.0976 10.0976 10.1152 10.1152 10.7169 10.7169 10.7538 10.7538 k = 0.4634-0.2676 0.3784 ( 3314 PWs) bands (ev): -32.6973 -32.6973 -32.6871 -32.6871 -13.7731 -13.7731 -13.7475 -13.7475 -12.4348 -12.4348 -12.4320 -12.4320 -12.1939 -12.1939 -12.1912 -12.1912 2.0849 2.0849 2.5304 2.5304 5.7219 5.7219 5.7252 5.7252 6.1074 6.1074 6.3812 6.3812 9.2877 9.2877 9.8783 9.8783 10.0302 10.0302 10.1584 10.1584 10.1753 10.1753 10.6681 10.6681 10.6957 10.6957 k = 0.4756-0.2746 0.3883 ( 3306 PWs) bands (ev): -32.6956 -32.6956 -32.6888 -32.6888 -13.7690 -13.7690 -13.7519 -13.7519 -12.4342 -12.4342 -12.4324 -12.4324 -12.1935 -12.1935 -12.1917 -12.1917 2.1581 2.1581 2.4551 2.4551 5.7192 5.7192 5.7215 5.7215 6.1433 6.1433 6.3269 6.3269 9.3812 9.3812 9.7754 9.7754 10.1378 10.1378 10.2113 10.2113 10.2263 10.2263 10.5912 10.5912 10.6265 10.6265 k = 0.4878-0.2816 0.3983 ( 3306 PWs) bands (ev): -32.6939 -32.6939 -32.6905 -32.6905 -13.7648 -13.7648 -13.7562 -13.7562 -12.4337 -12.4337 -12.4328 -12.4328 -12.1931 -12.1931 -12.1922 -12.1922 2.2318 2.2318 2.3803 2.3803 5.7179 5.7179 5.7190 5.7190 6.1835 6.1835 6.2755 6.2755 9.4767 9.4767 9.6739 9.6739 10.2461 10.2461 10.2511 10.2511 10.2632 10.2632 10.4763 10.4763 10.5986 10.5986 k = 0.5000-0.2887 0.4082 ( 3306 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7605 -13.7605 -13.7605 -13.7605 -12.4332 -12.4332 -12.4332 -12.4332 -12.1926 -12.1926 -12.1926 -12.1926 2.3058 2.3058 2.3058 2.3058 5.7178 5.7178 5.7178 5.7178 6.2276 6.2276 6.2276 6.2276 9.5743 9.5743 9.5743 9.5743 10.2694 10.2694 10.2694 10.2694 10.3623 10.3623 10.3623 10.3623 10.5932 10.5932 k = 0.5000-0.2887 0.4082 ( 3306 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7605 -13.7605 -13.7605 -13.7605 -12.4332 -12.4332 -12.4332 -12.4332 -12.1926 -12.1926 -12.1926 -12.1926 2.3058 2.3058 2.3058 2.3058 5.7178 5.7178 5.7178 5.7178 6.2276 6.2276 6.2276 6.2276 9.5743 9.5743 9.5743 9.5743 10.2694 10.2694 10.2694 10.2694 10.3623 10.3623 10.3623 10.3623 10.5932 10.5932 k = 0.5000-0.2749 0.4180 ( 3306 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7611 -13.7611 -13.7599 -13.7599 -12.4379 -12.4379 -12.4284 -12.4284 -12.1969 -12.1969 -12.1885 -12.1885 2.3057 2.3057 2.3068 2.3068 5.7014 5.7014 5.7088 5.7088 6.2395 6.2395 6.2451 6.2451 9.5684 9.5684 9.5693 9.5693 10.2682 10.2682 10.2715 10.2715 10.3347 10.3347 10.3405 10.3405 10.6215 10.6215 k = 0.5000-0.2612 0.4277 ( 3314 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7618 -13.7618 -13.7593 -13.7593 -12.4424 -12.4424 -12.4234 -12.4234 -12.2013 -12.2013 -12.1846 -12.1846 2.3064 2.3064 2.3087 2.3087 5.6643 5.6643 5.6773 5.6773 6.2778 6.2778 6.2874 6.2874 9.5515 9.5515 9.5533 9.5533 10.2504 10.2504 10.2690 10.2690 10.2962 10.2962 10.3022 10.3022 10.6929 10.6929 k = 0.5000-0.2474 0.4374 ( 3318 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7624 -13.7624 -13.7587 -13.7587 -12.4467 -12.4467 -12.4182 -12.4182 -12.2058 -12.2058 -12.1809 -12.1809 2.3079 2.3079 2.3113 2.3113 5.6139 5.6139 5.6310 5.6310 6.3350 6.3350 6.3469 6.3469 9.5236 9.5236 9.5261 9.5261 10.1992 10.1992 10.2221 10.2221 10.2951 10.2951 10.3041 10.3041 10.7814 10.7814 k = 0.5000-0.2337 0.4471 ( 3324 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7629 -13.7629 -13.7581 -13.7581 -12.4509 -12.4509 -12.4130 -12.4130 -12.2105 -12.2105 -12.1773 -12.1773 2.3102 2.3102 2.3147 2.3147 5.5565 5.5565 5.5763 5.5763 6.4046 6.4046 6.4175 6.4175 9.4848 9.4848 9.4877 9.4877 10.1449 10.1449 10.1682 10.1682 10.3092 10.3092 10.3182 10.3182 10.8772 10.8772 k = 0.5000-0.2199 0.4568 ( 3324 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7635 -13.7635 -13.7576 -13.7576 -12.4548 -12.4548 -12.4076 -12.4076 -12.2154 -12.2154 -12.1739 -12.1739 2.3133 2.3133 2.3189 2.3189 5.4960 5.4960 5.5178 5.5178 6.4821 6.4821 6.4952 6.4952 9.4355 9.4355 9.4386 9.4386 10.0966 10.0966 10.1204 10.1204 10.3279 10.3279 10.3374 10.3374 10.9768 10.9768 k = 0.5000-0.2062 0.4666 ( 3330 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7641 -13.7641 -13.7570 -13.7570 -12.4586 -12.4586 -12.4020 -12.4020 -12.2203 -12.2203 -12.1707 -12.1707 2.3170 2.3170 2.3237 2.3237 5.4346 5.4346 5.4581 5.4581 6.5648 6.5648 6.5779 6.5779 9.3768 9.3768 9.3798 9.3798 10.0559 10.0559 10.0801 10.0801 10.3502 10.3502 10.3605 10.3605 11.0781 11.0781 k = 0.5000-0.1925 0.4763 ( 3326 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7646 -13.7646 -13.7565 -13.7565 -12.4621 -12.4621 -12.3964 -12.3964 -12.2254 -12.2254 -12.1677 -12.1677 2.3213 2.3213 2.3291 2.3291 5.3740 5.3740 5.3988 5.3988 6.6511 6.6511 6.6639 6.6639 9.3100 9.3100 9.3126 9.3126 10.0226 10.0226 10.0470 10.0470 10.3754 10.3754 10.3866 10.3866 11.1794 11.1794 k = 0.5000-0.1787 0.4860 ( 3332 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7651 -13.7651 -13.7560 -13.7560 -12.4654 -12.4654 -12.3907 -12.3907 -12.2306 -12.2306 -12.1649 -12.1649 2.3261 2.3261 2.3350 2.3350 5.3150 5.3150 5.3411 5.3411 6.7401 6.7401 6.7523 6.7523 9.2368 9.2368 9.2388 9.2388 9.9959 9.9959 10.0203 10.0203 10.4031 10.4031 10.4153 10.4153 11.2793 11.2793 k = 0.5000-0.1650 0.4957 ( 3332 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7656 -13.7656 -13.7555 -13.7555 -12.4686 -12.4686 -12.3849 -12.3849 -12.2359 -12.2359 -12.1622 -12.1622 2.3313 2.3313 2.3412 2.3412 5.2584 5.2584 5.2856 5.2856 6.8309 6.8309 6.8425 6.8425 9.1587 9.1587 9.1600 9.1600 9.9746 9.9746 9.9990 9.9990 10.4329 10.4329 10.4461 10.4461 11.3763 11.3763 k = 0.5000-0.1512 0.5055 ( 3332 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7661 -13.7661 -13.7550 -13.7550 -12.4714 -12.4714 -12.3790 -12.3790 -12.2414 -12.2414 -12.1598 -12.1598 2.3368 2.3368 2.3477 2.3477 5.2047 5.2047 5.2329 5.2329 6.9230 6.9230 6.9339 6.9339 9.0768 9.0768 9.0773 9.0773 9.9577 9.9577 9.9821 9.9821 10.4642 10.4642 10.4784 10.4784 11.4685 11.4685 k = 0.5000-0.1375 0.5152 ( 3330 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7665 -13.7665 -13.7546 -13.7546 -12.4741 -12.4741 -12.3731 -12.3731 -12.2468 -12.2468 -12.1576 -12.1576 2.3424 2.3424 2.3543 2.3543 5.1544 5.1544 5.1835 5.1835 7.0159 7.0159 7.0262 7.0262 8.9921 8.9921 8.9924 8.9924 9.9445 9.9445 9.9688 9.9688 10.4965 10.4965 10.5119 10.5119 11.5538 11.5538 k = 0.5000-0.1237 0.5249 ( 3330 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7669 -13.7669 -13.7542 -13.7542 -12.4765 -12.4765 -12.3672 -12.3672 -12.2524 -12.2524 -12.1555 -12.1555 2.3481 2.3481 2.3608 2.3608 5.1078 5.1078 5.1378 5.1378 7.1093 7.1093 7.1188 7.1188 8.9051 8.9051 8.9063 8.9063 9.9341 9.9341 9.9584 9.9584 10.5294 10.5294 10.5458 10.5458 11.6300 11.6300 k = 0.5000-0.1100 0.5346 ( 3322 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7673 -13.7673 -13.7538 -13.7538 -12.4787 -12.4787 -12.3612 -12.3612 -12.2580 -12.2580 -12.1537 -12.1537 2.3536 2.3536 2.3672 2.3672 5.0652 5.0652 5.0960 5.0960 7.2027 7.2027 7.2113 7.2113 8.8171 8.8171 8.8192 8.8192 9.9260 9.9260 9.9503 9.9503 10.5621 10.5621 10.5798 10.5798 11.6948 11.6948 k = 0.5000-0.0962 0.5443 ( 3332 PWs) bands (ev): -32.6923 -32.6923 -32.6923 -32.6923 -13.7676 -13.7676 -13.7535 -13.7535 -12.4806 -12.4806 -12.3552 -12.3552 -12.2637 -12.2637 -12.1521 -12.1521 2.3589 2.3589 2.3733 2.3733 5.0269 5.0269 5.0584 5.0584 7.2957 7.2957 7.3034 7.3034 8.7287 8.7287 8.7318 8.7318 9.9197 9.9197 9.9440 9.9440 10.5941 10.5941 10.6129 10.6129 11.7460 11.7460 k = 0.5000-0.0825 0.5541 ( 3320 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7679 -13.7679 -13.7532 -13.7532 -12.4823 -12.4823 -12.3493 -12.3493 -12.2693 -12.2693 -12.1507 -12.1507 2.3638 2.3638 2.3789 2.3789 4.9931 4.9931 5.0254 5.0254 7.3876 7.3876 7.3943 7.3943 8.6407 8.6407 8.6449 8.6449 9.9150 9.9150 9.9393 9.9393 10.6246 10.6246 10.6446 10.6446 11.7814 11.7814 k = 0.5000-0.0687 0.5638 ( 3318 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7681 -13.7681 -13.7530 -13.7530 -12.4837 -12.4837 -12.3435 -12.3435 -12.2749 -12.2749 -12.1495 -12.1495 2.3683 2.3683 2.3839 2.3839 4.9642 4.9642 4.9970 4.9970 7.4777 7.4777 7.4833 7.4833 8.5540 8.5540 8.5592 8.5592 9.9114 9.9114 9.9358 9.9358 10.6528 10.6528 10.6740 10.6740 11.8039 11.8039 k = 0.5000-0.0550 0.5735 ( 3312 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7683 -13.7683 -13.7528 -13.7528 -12.4848 -12.4848 -12.3378 -12.3378 -12.2804 -12.2804 -12.1486 -12.1486 2.3720 2.3720 2.3882 2.3882 4.9402 4.9402 4.9735 4.9735 7.5645 7.5645 7.5689 7.5689 8.4700 8.4700 8.4764 8.4764 9.9089 9.9089 9.9333 9.9333 10.6777 10.6777 10.7000 10.7000 11.8157 11.8157 k = 0.5000-0.0412 0.5832 ( 3320 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7685 -13.7685 -13.7526 -13.7526 -12.4858 -12.4858 -12.3324 -12.3324 -12.2856 -12.2856 -12.1478 -12.1478 2.3751 2.3751 2.3917 2.3917 4.9214 4.9214 4.9551 4.9551 7.6456 7.6456 7.6487 7.6487 8.3910 8.3910 8.3988 8.3988 9.9071 9.9071 9.9315 9.9315 10.6984 10.6984 10.7216 10.7216 11.8202 11.8202 k = 0.5000-0.0275 0.5929 ( 3308 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7686 -13.7686 -13.7525 -13.7525 -12.4864 -12.4864 -12.3277 -12.3277 -12.2902 -12.2902 -12.1473 -12.1473 2.3774 2.3774 2.3943 2.3943 4.9079 4.9079 4.9418 4.9418 7.7165 7.7165 7.7180 7.7180 8.3216 8.3216 8.3310 8.3310 9.9059 9.9059 9.9304 9.9304 10.7140 10.7140 10.7380 10.7380 11.8206 11.8206 k = 0.5000-0.0137 0.6027 ( 3316 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7687 -13.7687 -13.7525 -13.7525 -12.4868 -12.4868 -12.3242 -12.3242 -12.2937 -12.2937 -12.1469 -12.1469 2.3787 2.3787 2.3958 2.3958 4.8997 4.8997 4.9338 4.9338 7.7683 7.7683 7.7684 7.7684 8.2707 8.2707 8.2817 8.2817 9.9052 9.9052 9.9297 9.9297 10.7236 10.7236 10.7481 10.7481 11.8196 11.8196 k = 0.5000-0.0000 0.6124 ( 3316 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7687 -13.7687 -13.7524 -13.7524 -12.4869 -12.4869 -12.3228 -12.3228 -12.2950 -12.2950 -12.1468 -12.1468 2.3792 2.3792 2.3964 2.3964 4.8970 4.8970 4.9312 4.9312 7.7874 7.7874 7.7882 7.7882 8.2512 8.2512 8.2629 8.2629 9.9050 9.9050 9.9295 9.9295 10.7269 10.7269 10.7516 10.7516 11.8191 11.8191 k = 0.5000-0.0000 0.6124 ( 3316 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7687 -13.7687 -13.7524 -13.7524 -12.4869 -12.4869 -12.3228 -12.3228 -12.2950 -12.2950 -12.1468 -12.1468 2.3792 2.3792 2.3964 2.3964 4.8970 4.8970 4.9312 4.9312 7.7874 7.7874 7.7882 7.7882 8.2512 8.2512 8.2629 8.2629 9.9050 9.9050 9.9295 9.9295 10.7269 10.7269 10.7516 10.7516 11.8191 11.8191 k = 0.4917 0.0144 0.6124 ( 3316 PWs) bands (ev): -32.6930 -32.6930 -32.6914 -32.6914 -13.7689 -13.7689 -13.7522 -13.7522 -12.4869 -12.4869 -12.3234 -12.3234 -12.2944 -12.2944 -12.1469 -12.1469 2.3572 2.3572 2.4178 2.4178 4.8771 4.8771 4.9549 4.9549 7.7448 7.7448 7.8098 7.8098 8.2560 8.2560 8.2791 8.2791 9.8702 9.8702 9.9648 9.9648 10.7244 10.7244 10.7490 10.7490 11.7795 11.7795 k = 0.4833 0.0289 0.6124 ( 3316 PWs) bands (ev): -32.6938 -32.6938 -32.6907 -32.6907 -13.7695 -13.7695 -13.7516 -13.7516 -12.4867 -12.4867 -12.3252 -12.3252 -12.2927 -12.2927 -12.1470 -12.1470 2.3304 2.3304 2.4430 2.4430 4.8478 4.8478 4.9954 4.9954 7.6715 7.6715 7.8280 7.8280 8.2857 8.2857 8.3044 8.3044 9.8272 9.8272 10.0094 10.0094 10.7159 10.7159 10.7430 10.7430 11.7309 11.7309 k = 0.4750 0.0433 0.6124 ( 3316 PWs) bands (ev): -32.6945 -32.6945 -32.6900 -32.6900 -13.7703 -13.7703 -13.7507 -13.7507 -12.4865 -12.4865 -12.3276 -12.3276 -12.2903 -12.2903 -12.1472 -12.1472 2.3052 2.3052 2.4658 2.4658 4.8191 4.8191 5.0426 5.0426 7.5807 7.5807 7.8425 7.8425 8.3280 8.3280 8.3380 8.3380 9.7855 9.7855 10.0539 10.0539 10.6992 10.6992 10.7377 10.7377 11.6793 11.6793 k = 0.4667 0.0577 0.6124 ( 3314 PWs) bands (ev): -32.6951 -32.6951 -32.6893 -32.6893 -13.7713 -13.7713 -13.7497 -13.7497 -12.4862 -12.4862 -12.3304 -12.3304 -12.2877 -12.2877 -12.1475 -12.1475 2.2819 2.2819 2.4859 2.4859 4.7920 4.7920 5.0951 5.0951 7.4810 7.4810 7.8538 7.8538 8.3639 8.3639 8.3895 8.3895 9.7453 9.7453 10.0977 10.0977 10.6748 10.6748 10.7348 10.7348 11.6255 11.6255 k = 0.4583 0.0722 0.6124 ( 3314 PWs) bands (ev): -32.6957 -32.6957 -32.6887 -32.6887 -13.7722 -13.7722 -13.7487 -13.7487 -12.4858 -12.4858 -12.3332 -12.3332 -12.2849 -12.2849 -12.1478 -12.1478 2.2605 2.2605 2.5034 2.5034 4.7669 4.7669 5.1522 5.1522 7.3773 7.3773 7.8623 7.8623 8.3993 8.3993 8.4473 8.4473 9.7069 9.7069 10.1406 10.1406 10.6449 10.6449 10.7338 10.7338 11.5703 11.5703 k = 0.4500 0.0866 0.6124 ( 3318 PWs) bands (ev): -32.6963 -32.6963 -32.6881 -32.6881 -13.7732 -13.7732 -13.7476 -13.7476 -12.4853 -12.4853 -12.3361 -12.3361 -12.2821 -12.2821 -12.1482 -12.1482 2.2411 2.2411 2.5185 2.5185 4.7438 4.7438 5.2132 5.2132 7.2723 7.2723 7.8686 7.8686 8.4358 8.4358 8.5061 8.5061 9.6703 9.6703 10.1821 10.1821 10.6118 10.6118 10.7345 10.7345 11.5146 11.5146 k = 0.4417 0.1010 0.6124 ( 3320 PWs) bands (ev): -32.6968 -32.6968 -32.6876 -32.6876 -13.7741 -13.7741 -13.7467 -13.7467 -12.4849 -12.4849 -12.3388 -12.3388 -12.2795 -12.2795 -12.1486 -12.1486 2.2237 2.2237 2.5314 2.5314 4.7230 4.7230 5.2774 5.2774 7.1678 7.1678 7.8732 7.8732 8.4725 8.4725 8.5641 8.5641 9.6355 9.6355 10.2216 10.2216 10.5773 10.5773 10.7370 10.7370 11.4593 11.4593 k = 0.4333 0.1155 0.6124 ( 3321 PWs) bands (ev): -32.6973 -32.6973 -32.6872 -32.6872 -13.7749 -13.7749 -13.7457 -13.7457 -12.4844 -12.4844 -12.3414 -12.3414 -12.2770 -12.2770 -12.1490 -12.1490 2.2084 2.2084 2.5423 2.5423 4.7044 4.7044 5.3436 5.3436 7.0656 7.0656 7.8764 7.8764 8.5083 8.5083 8.6199 8.6199 9.6028 9.6028 10.2586 10.2586 10.5429 10.5429 10.7413 10.7413 11.4054 11.4054 k = 0.4250 0.1299 0.6124 ( 3323 PWs) bands (ev): -32.6976 -32.6976 -32.6868 -32.6868 -13.7757 -13.7757 -13.7449 -13.7449 -12.4840 -12.4840 -12.3437 -12.3437 -12.2748 -12.2748 -12.1494 -12.1494 2.1950 2.1950 2.5513 2.5513 4.6882 4.6882 5.4107 5.4107 6.9671 6.9671 7.8787 7.8787 8.5423 8.5423 8.6722 8.6722 9.5724 9.5724 10.2922 10.2922 10.5103 10.5103 10.7475 10.7475 11.3539 11.3539 k = 0.4167 0.1443 0.6124 ( 3320 PWs) bands (ev): -32.6980 -32.6980 -32.6865 -32.6865 -13.7763 -13.7763 -13.7442 -13.7442 -12.4835 -12.4835 -12.3457 -12.3457 -12.2729 -12.2729 -12.1497 -12.1497 2.1837 2.1837 2.5587 2.5587 4.6744 4.6744 5.4770 5.4770 6.8741 6.8741 7.8802 7.8802 8.5734 8.5734 8.7199 8.7199 9.5445 9.5445 10.3210 10.3210 10.4813 10.4813 10.7551 10.7551 11.3060 11.3060 k = 0.4083 0.1588 0.6124 ( 3315 PWs) bands (ev): -32.6982 -32.6982 -32.6862 -32.6862 -13.7769 -13.7769 -13.7436 -13.7436 -12.4832 -12.4832 -12.3474 -12.3474 -12.2713 -12.2713 -12.1501 -12.1501 2.1745 2.1745 2.5644 2.5644 4.6630 4.6630 5.5402 5.5402 6.7891 6.7891 7.8812 7.8812 8.6005 8.6005 8.7618 8.7618 9.5199 9.5199 10.3433 10.3433 10.4584 10.4584 10.7639 10.7639 11.2630 11.2630 k = 0.4000 0.1732 0.6124 ( 3315 PWs) bands (ev): -32.6984 -32.6984 -32.6860 -32.6860 -13.7773 -13.7773 -13.7432 -13.7432 -12.4828 -12.4828 -12.3488 -12.3488 -12.2700 -12.2700 -12.1503 -12.1503 2.1673 2.1673 2.5688 2.5688 4.6541 4.6541 5.5971 5.5971 6.7153 6.7153 7.8819 7.8819 8.6228 8.6228 8.7966 8.7966 9.4992 9.4992 10.3567 10.3567 10.4441 10.4441 10.7728 10.7728 11.2265 11.2265 k = 0.3917 0.1876 0.6124 ( 3307 PWs) bands (ev): -32.6986 -32.6986 -32.6858 -32.6858 -13.7776 -13.7776 -13.7428 -13.7428 -12.4826 -12.4826 -12.3498 -12.3498 -12.2691 -12.2691 -12.1505 -12.1505 2.1621 2.1621 2.5718 2.5718 4.6477 4.6477 5.6434 5.6434 6.6568 6.6568 7.8822 7.8822 8.6394 8.6394 8.8228 8.8228 9.4834 9.4834 10.3608 10.3608 10.4393 10.4393 10.7808 10.7808 11.1983 11.1983 k = 0.3833 0.2021 0.6124 ( 3312 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7426 -13.7426 -12.4825 -12.4825 -12.3504 -12.3504 -12.2685 -12.2685 -12.1506 -12.1506 2.1590 2.1590 2.5736 2.5736 4.6439 4.6439 5.6742 5.6742 6.6188 6.6188 7.8824 7.8824 8.6497 8.6497 8.8392 8.8392 9.4734 9.4734 10.3598 10.3598 10.4398 10.4398 10.7865 10.7865 11.1804 11.1804 k = 0.3750 0.2165 0.6124 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1742 11.1742 k = 0.3750 0.2165 0.6124 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1742 11.1742 k = 0.3663 0.2115 0.5981 ( 3318 PWs) bands (ev): -32.6996 -32.6996 -32.6848 -32.6848 -13.7798 -13.7798 -13.7403 -13.7403 -12.4841 -12.4841 -12.3445 -12.3445 -12.2742 -12.2742 -12.1493 -12.1493 2.1276 2.1276 2.6128 2.6128 4.5998 4.5998 5.6834 5.6834 6.6561 6.6561 8.0126 8.0126 8.5811 8.5811 8.7487 8.7487 9.4599 9.4599 10.3533 10.3533 10.4451 10.4451 10.8518 10.8518 11.0839 11.0839 k = 0.3576 0.2064 0.5839 ( 3320 PWs) bands (ev): -32.7006 -32.7006 -32.6839 -32.6839 -13.7819 -13.7819 -13.7379 -13.7379 -12.4855 -12.4855 -12.3385 -12.3385 -12.2800 -12.2800 -12.1482 -12.1482 2.0933 2.0933 2.6540 2.6540 4.5648 4.5648 5.6824 5.6824 6.7090 6.7090 8.1402 8.1402 8.5106 8.5106 8.6555 8.6555 9.4495 9.4495 10.3320 10.3320 10.4616 10.4616 10.9163 10.9163 10.9881 10.9881 k = 0.3488 0.2014 0.5696 ( 3316 PWs) bands (ev): -32.7015 -32.7015 -32.6829 -32.6829 -13.7841 -13.7841 -13.7354 -13.7354 -12.4867 -12.4867 -12.3327 -12.3327 -12.2857 -12.2857 -12.1472 -12.1472 2.0553 2.0553 2.6977 2.6977 4.5377 4.5377 5.6822 5.6822 6.7637 6.7637 8.2641 8.2641 8.4421 8.4421 8.5653 8.5653 9.4385 9.4385 10.3005 10.3005 10.4856 10.4856 10.8842 10.8842 10.9875 10.9875 k = 0.3401 0.1964 0.5554 ( 3318 PWs) bands (ev): -32.7025 -32.7025 -32.6819 -32.6819 -13.7864 -13.7864 -13.7328 -13.7328 -12.4877 -12.4877 -12.3273 -12.3273 -12.2911 -12.2911 -12.1465 -12.1465 2.0134 2.0134 2.7439 2.7439 4.5185 4.5185 5.6828 5.6828 6.8198 6.8198 8.3681 8.3681 8.3902 8.3902 8.4783 8.4783 9.4267 9.4267 10.2634 10.2634 10.5140 10.5140 10.7825 10.7825 11.0569 11.0569 k = 0.3314 0.1913 0.5412 ( 3318 PWs) bands (ev): -32.7036 -32.7036 -32.6809 -32.6809 -13.7887 -13.7887 -13.7301 -13.7301 -12.4884 -12.4884 -12.3225 -12.3225 -12.2959 -12.2959 -12.1459 -12.1459 1.9680 1.9680 2.7927 2.7927 4.5073 4.5073 5.6845 5.6845 6.8769 6.8769 8.3087 8.3087 8.3932 8.3932 8.4981 8.4981 9.4141 9.4141 10.2245 10.2245 10.5454 10.5454 10.6802 10.6802 11.1288 11.1288 k = 0.3227 0.1863 0.5269 ( 3308 PWs) bands (ev): -32.7046 -32.7046 -32.6797 -32.6797 -13.7911 -13.7911 -13.7272 -13.7272 -12.4889 -12.4889 -12.3194 -12.3194 -12.2990 -12.2990 -12.1456 -12.1456 1.9192 1.9192 2.8440 2.8440 4.5037 4.5037 5.6872 5.6872 6.9344 6.9344 8.2456 8.2456 8.3128 8.3128 8.6014 8.6014 9.4003 9.4003 10.1876 10.1876 10.5737 10.5737 10.5847 10.5847 11.2028 11.2028 k = 0.3140 0.1813 0.5127 ( 3308 PWs) bands (ev): -32.7058 -32.7058 -32.6786 -32.6786 -13.7936 -13.7936 -13.7242 -13.7242 -12.4892 -12.4892 -12.3196 -12.3196 -12.2990 -12.2990 -12.1454 -12.1454 1.8674 1.8674 2.8979 2.8979 4.5076 4.5076 5.6911 5.6911 6.9916 6.9916 8.1841 8.1841 8.2357 8.2357 8.6931 8.6931 9.3853 9.3853 10.1568 10.1568 10.4792 10.4792 10.6161 10.6161 11.2785 11.2785 k = 0.3052 0.1762 0.4984 ( 3316 PWs) bands (ev): -32.7069 -32.7069 -32.6775 -32.6775 -13.7961 -13.7961 -13.7211 -13.7211 -12.4894 -12.4894 -12.3229 -12.3229 -12.2959 -12.2959 -12.1454 -12.1454 1.8128 1.8128 2.9542 2.9542 4.5186 4.5186 5.6963 5.6963 7.0479 7.0479 8.1244 8.1244 8.1625 8.1625 8.7692 8.7692 9.3686 9.3686 10.1370 10.1370 10.3830 10.3830 10.6541 10.6541 11.3559 11.3559 k = 0.2965 0.1712 0.4842 ( 3320 PWs) bands (ev): -32.7081 -32.7081 -32.6764 -32.6764 -13.7986 -13.7986 -13.7179 -13.7179 -12.4893 -12.4893 -12.3277 -12.3277 -12.2913 -12.2913 -12.1456 -12.1456 1.7558 1.7558 3.0130 3.0130 4.5366 4.5366 5.7029 5.7029 7.1021 7.1021 8.0666 8.0666 8.0937 8.0937 8.8258 8.8258 9.3501 9.3501 10.1327 10.1327 10.2907 10.2907 10.6940 10.6940 11.4348 11.4348 k = 0.2878 0.1662 0.4700 ( 3308 PWs) bands (ev): -32.7092 -32.7092 -32.6752 -32.6752 -13.8012 -13.8012 -13.7146 -13.7146 -12.4890 -12.4890 -12.3331 -12.3331 -12.2862 -12.2862 -12.1459 -12.1459 1.6969 1.6969 3.0743 3.0743 4.5610 4.5610 5.7109 5.7109 7.1532 7.1532 8.0106 8.0106 8.0297 8.0297 8.8598 8.8598 9.3296 9.3296 10.1459 10.1459 10.2046 10.2046 10.7355 10.7355 11.5151 11.5151 k = 0.2791 0.1611 0.4557 ( 3316 PWs) bands (ev): -32.7104 -32.7104 -32.6740 -32.6740 -13.8037 -13.8037 -13.7113 -13.7113 -12.4886 -12.4886 -12.3387 -12.3387 -12.2809 -12.2809 -12.1464 -12.1464 1.6364 1.6364 3.1380 3.1380 4.5916 4.5916 5.7205 5.7205 7.1995 7.1995 7.9567 7.9567 7.9714 7.9714 8.8703 8.8703 9.3067 9.3067 10.1134 10.1134 10.1904 10.1904 10.7785 10.7785 11.5968 11.5968 k = 0.2703 0.1561 0.4415 ( 3324 PWs) bands (ev): -32.7116 -32.7116 -32.6728 -32.6728 -13.8063 -13.8063 -13.7078 -13.7078 -12.4880 -12.4880 -12.3444 -12.3444 -12.2756 -12.2756 -12.1470 -12.1470 1.5747 1.5747 3.2042 3.2042 4.6280 4.6280 5.7318 5.7318 7.2395 7.2395 7.9048 7.9048 7.9195 7.9195 8.8587 8.8587 9.2813 9.2813 10.0363 10.0363 10.2462 10.2462 10.8229 10.8229 11.6798 11.6798 k = 0.2616 0.1511 0.4272 ( 3324 PWs) bands (ev): -32.7128 -32.7128 -32.6716 -32.6716 -13.8089 -13.8089 -13.7043 -13.7043 -12.4873 -12.4873 -12.3501 -12.3501 -12.2703 -12.2703 -12.1478 -12.1478 1.5122 1.5122 3.2728 3.2728 4.6698 4.6698 5.7447 5.7447 7.2709 7.2709 7.8550 7.8550 7.8753 7.8753 8.8283 8.8283 9.2531 9.2531 9.9629 9.9629 10.3211 10.3211 10.8687 10.8687 11.7639 11.7639 k = 0.2529 0.1460 0.4130 ( 3318 PWs) bands (ev): -32.7141 -32.7141 -32.6703 -32.6703 -13.8115 -13.8115 -13.7007 -13.7007 -12.4864 -12.4864 -12.3558 -12.3558 -12.2651 -12.2651 -12.1487 -12.1487 1.4493 1.4493 3.3438 3.3438 4.7167 4.7167 5.7594 5.7594 7.2920 7.2920 7.8068 7.8068 7.8404 7.8404 8.7832 8.7832 9.2219 9.2219 9.8946 9.8946 10.4096 10.4096 10.9159 10.9159 11.8490 11.8490 k = 0.2442 0.1410 0.3988 ( 3324 PWs) bands (ev): -32.7153 -32.7153 -32.6691 -32.6691 -13.8141 -13.8141 -13.6971 -13.6971 -12.4853 -12.4853 -12.3614 -12.3614 -12.2599 -12.2599 -12.1497 -12.1497 1.3862 1.3862 3.4171 3.4171 4.7684 4.7684 5.7760 5.7760 7.3011 7.3011 7.7605 7.7605 7.8151 7.8151 8.7273 8.7273 9.1875 9.1875 9.8314 9.8314 10.5076 10.5076 10.9648 10.9648 11.9352 11.9352 k = 0.2355 0.1359 0.3845 ( 3336 PWs) bands (ev): -32.7165 -32.7165 -32.6680 -32.6680 -13.8167 -13.8167 -13.6934 -13.6934 -12.4842 -12.4842 -12.3670 -12.3670 -12.2549 -12.2549 -12.1509 -12.1509 1.3232 1.3232 3.4928 3.4928 4.8246 4.8246 5.7945 5.7945 7.2982 7.2982 7.7159 7.7159 7.7990 7.7990 8.6639 8.6639 9.1498 9.1498 9.7729 9.7729 10.6111 10.6111 11.0159 11.0159 11.9448 11.9448 k = 0.2267 0.1309 0.3703 ( 3344 PWs) bands (ev): -32.7178 -32.7178 -32.6668 -32.6668 -13.8192 -13.8192 -13.6898 -13.6898 -12.4830 -12.4830 -12.3725 -12.3725 -12.2500 -12.2500 -12.1521 -12.1521 1.2607 1.2607 3.5708 3.5708 4.8850 4.8850 5.8149 5.8149 7.2846 7.2846 7.6731 7.6731 7.7899 7.7899 8.5953 8.5953 9.1085 9.1085 9.7180 9.7180 10.7161 10.7161 11.0704 11.0704 11.8081 11.8081 k = 0.2180 0.1259 0.3560 ( 3348 PWs) bands (ev): -32.7190 -32.7190 -32.6656 -32.6656 -13.8217 -13.8217 -13.6861 -13.6861 -12.4816 -12.4816 -12.3779 -12.3779 -12.2452 -12.2452 -12.1534 -12.1534 1.1990 1.1990 3.6511 3.6511 4.9492 4.9492 5.8373 5.8373 7.2625 7.2625 7.6321 7.6321 7.7850 7.7850 8.5236 8.5236 9.0638 9.0638 9.6654 9.6654 10.8180 10.8180 11.1303 11.1303 11.6823 11.6823 k = 0.2093 0.1208 0.3418 ( 3348 PWs) bands (ev): -32.7202 -32.7202 -32.6644 -32.6644 -13.8241 -13.8241 -13.6823 -13.6823 -12.4802 -12.4802 -12.3831 -12.3831 -12.2406 -12.2406 -12.1548 -12.1548 1.1381 1.1381 3.7336 3.7336 5.0171 5.0171 5.8617 5.8617 7.2347 7.2347 7.5929 7.5929 7.7814 7.7814 8.4502 8.4502 9.0154 9.0154 9.6132 9.6132 10.9114 10.9114 11.1987 11.1987 11.5699 11.5699 k = 0.2006 0.1158 0.3275 ( 3346 PWs) bands (ev): -32.7213 -32.7213 -32.6632 -32.6632 -13.8266 -13.8266 -13.6787 -13.6787 -12.4787 -12.4787 -12.3883 -12.3883 -12.2361 -12.2361 -12.1563 -12.1563 1.0785 1.0785 3.8183 3.8183 5.0883 5.0883 5.8882 5.8882 7.2032 7.2032 7.5555 7.5555 7.7769 7.7769 8.3761 8.3761 8.9634 8.9634 9.5589 9.5589 10.9909 10.9909 11.2782 11.2782 11.4738 11.4738 k = 0.1919 0.1108 0.3133 ( 3343 PWs) bands (ev): -32.7225 -32.7225 -32.6621 -32.6621 -13.8289 -13.8289 -13.6750 -13.6750 -12.4772 -12.4772 -12.3933 -12.3933 -12.2317 -12.2317 -12.1578 -12.1578 1.0202 1.0202 3.9052 3.9052 5.1626 5.1626 5.9168 5.9168 7.1698 7.1698 7.5198 7.5198 7.7700 7.7700 8.3021 8.3021 8.9080 8.9080 9.5000 9.5000 11.0540 11.0540 11.3585 11.3585 11.4068 11.4068 k = 0.1831 0.1057 0.2991 ( 3345 PWs) bands (ev): -32.7236 -32.7236 -32.6609 -32.6609 -13.8312 -13.8312 -13.6713 -13.6713 -12.4756 -12.4756 -12.3982 -12.3982 -12.2275 -12.2275 -12.1594 -12.1594 0.9634 0.9634 3.9941 3.9941 5.2398 5.2398 5.9475 5.9475 7.1357 7.1357 7.4859 7.4859 7.7599 7.7599 8.2288 8.2288 8.8491 8.8491 9.4341 9.4341 11.1013 11.1013 11.3286 11.3286 11.4779 11.4779 k = 0.1744 0.1007 0.2848 ( 3349 PWs) bands (ev): -32.7247 -32.7247 -32.6598 -32.6598 -13.8334 -13.8334 -13.6678 -13.6678 -12.4740 -12.4740 -12.4029 -12.4029 -12.2235 -12.2235 -12.1610 -12.1610 0.9084 0.9084 4.0851 4.0851 5.3195 5.3195 5.9803 5.9803 7.1017 7.1017 7.4537 7.4537 7.7465 7.7465 8.1567 8.1567 8.7871 8.7871 9.3592 9.3592 11.1347 11.1347 11.2914 11.2914 11.5799 11.5799 k = 0.1657 0.0957 0.2706 ( 3325 PWs) bands (ev): -32.7257 -32.7257 -32.6587 -32.6587 -13.8356 -13.8356 -13.6642 -13.6642 -12.4723 -12.4723 -12.4074 -12.4074 -12.2196 -12.2196 -12.1626 -12.1626 0.8552 0.8552 4.1780 4.1780 5.4016 5.4016 6.0153 6.0153 7.0684 7.0684 7.4232 7.4232 7.7299 7.7299 8.0862 8.0862 8.7220 8.7220 9.2743 9.2743 11.1550 11.1550 11.2739 11.2739 11.6801 11.6801 k = 0.1570 0.0906 0.2563 ( 3337 PWs) bands (ev): -32.7268 -32.7268 -32.6577 -32.6577 -13.8377 -13.8377 -13.6608 -13.6608 -12.4707 -12.4707 -12.4118 -12.4118 -12.2160 -12.2160 -12.1642 -12.1642 0.8041 0.8041 4.2728 4.2728 5.4858 5.4858 6.0523 6.0523 7.0362 7.0362 7.3944 7.3944 7.7104 7.7104 8.0175 8.0175 8.6541 8.6541 9.1794 9.1794 11.1620 11.1620 11.2755 11.2755 11.7715 11.7715 k = 0.1483 0.0856 0.2421 ( 3343 PWs) bands (ev): -32.7278 -32.7278 -32.6567 -32.6567 -13.8396 -13.8396 -13.6574 -13.6574 -12.4691 -12.4691 -12.4159 -12.4159 -12.2124 -12.2124 -12.1658 -12.1658 0.7550 0.7550 4.3693 4.3693 5.5717 5.5717 6.0914 6.0914 7.0054 7.0054 7.3673 7.3673 7.6886 7.6886 7.9507 7.9507 8.5838 8.5838 9.0752 9.0752 11.1548 11.1548 11.2942 11.2942 11.8473 11.8473 k = 0.1395 0.0806 0.2279 ( 3343 PWs) bands (ev): -32.7287 -32.7287 -32.6558 -32.6558 -13.8415 -13.8415 -13.6542 -13.6542 -12.4675 -12.4675 -12.4199 -12.4199 -12.2091 -12.2091 -12.1674 -12.1674 0.7082 0.7082 4.4674 4.4674 5.6591 5.6591 6.1326 6.1326 6.9761 6.9761 7.3418 7.3418 7.6650 7.6650 7.8862 7.8862 8.5113 8.5113 8.9628 8.9628 11.1319 11.1319 11.3280 11.3280 11.9025 11.9025 k = 0.1308 0.0755 0.2136 ( 3335 PWs) bands (ev): -32.7296 -32.7296 -32.6548 -32.6548 -13.8433 -13.8433 -13.6510 -13.6510 -12.4659 -12.4659 -12.4237 -12.4237 -12.2059 -12.2059 -12.1690 -12.1690 0.6637 0.6637 4.5670 4.5670 5.7477 5.7477 6.1758 6.1758 6.9487 6.9487 7.3180 7.3180 7.6401 7.6401 7.8238 7.8238 8.4370 8.4370 8.8440 8.8440 11.0928 11.0928 11.3744 11.3744 11.9375 11.9375 k = 0.1221 0.0705 0.1994 ( 3323 PWs) bands (ev): -32.7305 -32.7305 -32.6539 -32.6539 -13.8451 -13.8451 -13.6480 -13.6480 -12.4644 -12.4644 -12.4273 -12.4273 -12.2030 -12.2030 -12.1705 -12.1705 0.6217 0.6217 4.6679 4.6679 5.8371 5.8371 6.2210 6.2210 6.9232 6.9232 7.2957 7.2957 7.6145 7.6145 7.7637 7.7637 8.3611 8.3611 8.7203 8.7203 11.0386 11.0386 11.4305 11.4305 11.9585 11.9585 k = 0.1134 0.0655 0.1851 ( 3331 PWs) bands (ev): -32.7313 -32.7313 -32.6531 -32.6531 -13.8467 -13.8467 -13.6452 -13.6452 -12.4629 -12.4629 -12.4307 -12.4307 -12.2002 -12.2002 -12.1720 -12.1720 0.5823 0.5823 4.7699 4.7699 5.9270 5.9270 6.2680 6.2680 6.8997 6.8997 7.2751 7.2751 7.5886 7.5886 7.7058 7.7058 8.2841 8.2841 8.5931 8.5931 10.9719 10.9719 11.4937 11.4937 11.9730 11.9730 k = 0.1047 0.0604 0.1709 ( 3335 PWs) bands (ev): -32.7321 -32.7321 -32.6524 -32.6524 -13.8482 -13.8482 -13.6425 -13.6425 -12.4615 -12.4615 -12.4338 -12.4338 -12.1976 -12.1976 -12.1734 -12.1734 0.5454 0.5454 4.8725 4.8725 6.0169 6.0169 6.3167 6.3167 6.8783 6.8783 7.2560 7.2560 7.5626 7.5626 7.6501 7.6501 8.2064 8.2064 8.4640 8.4640 10.8958 10.8958 11.5612 11.5612 11.9855 11.9855 k = 0.0959 0.0554 0.1567 ( 3343 PWs) bands (ev): -32.7328 -32.7328 -32.6517 -32.6517 -13.8496 -13.8496 -13.6399 -13.6399 -12.4602 -12.4602 -12.4368 -12.4368 -12.1952 -12.1952 -12.1747 -12.1747 0.5113 0.5113 4.9756 4.9756 6.1065 6.1065 6.3671 6.3671 6.8593 6.8593 7.2385 7.2385 7.5369 7.5369 7.5966 7.5966 8.1284 8.1284 8.3344 8.3344 10.8136 10.8136 11.6304 11.6304 11.9982 11.9982 k = 0.0872 0.0504 0.1424 ( 3339 PWs) bands (ev): -32.7335 -32.7335 -32.6510 -32.6510 -13.8508 -13.8508 -13.6376 -13.6376 -12.4589 -12.4589 -12.4395 -12.4395 -12.1930 -12.1930 -12.1760 -12.1760 0.4798 0.4798 5.0785 5.0785 6.1953 6.1953 6.4189 6.4189 6.8426 6.8426 7.2225 7.2225 7.5113 7.5113 7.5451 7.5451 8.0505 8.0505 8.2055 8.2055 10.7285 10.7285 11.6990 11.6990 12.0115 12.0115 k = 0.0785 0.0453 0.1282 ( 3343 PWs) bands (ev): -32.7341 -32.7341 -32.6504 -32.6504 -13.8520 -13.8520 -13.6354 -13.6354 -12.4578 -12.4578 -12.4419 -12.4419 -12.1910 -12.1910 -12.1771 -12.1771 0.4512 0.4512 5.1806 5.1806 6.2828 6.2828 6.4718 6.4718 6.8286 6.8286 7.2081 7.2081 7.4846 7.4846 7.4967 7.4967 7.9732 7.9732 8.0790 8.0790 10.6434 10.6434 11.7646 11.7646 12.0255 12.0255 k = 0.0698 0.0403 0.1139 ( 3351 PWs) bands (ev): -32.7346 -32.7346 -32.6499 -32.6499 -13.8530 -13.8530 -13.6334 -13.6334 -12.4567 -12.4567 -12.4441 -12.4441 -12.1892 -12.1892 -12.1782 -12.1782 0.4255 0.4255 5.2812 5.2812 6.3683 6.3683 6.5255 6.5255 6.8175 6.8175 7.1951 7.1951 7.4448 7.4448 7.4627 7.4627 7.8970 7.8970 7.9567 7.9567 10.5606 10.5606 11.8252 11.8252 12.0400 12.0400 k = 0.0610 0.0352 0.0997 ( 3355 PWs) bands (ev): -32.7351 -32.7351 -32.6494 -32.6494 -13.8540 -13.8540 -13.6317 -13.6317 -12.4558 -12.4558 -12.4461 -12.4461 -12.1877 -12.1877 -12.1792 -12.1792 0.4027 0.4027 5.3791 5.3791 6.4513 6.4513 6.5794 6.5794 6.8095 6.8095 7.1835 7.1835 7.3984 7.3984 7.4352 7.4352 7.8223 7.8223 7.8414 7.8414 10.4822 10.4822 11.8786 11.8786 12.0550 12.0550 k = 0.0523 0.0302 0.0854 ( 3353 PWs) bands (ev): -32.7355 -32.7355 -32.6490 -32.6490 -13.8548 -13.8548 -13.6301 -13.6301 -12.4550 -12.4550 -12.4478 -12.4478 -12.1863 -12.1863 -12.1800 -12.1800 0.3829 0.3829 5.4729 5.4729 6.5311 6.5311 6.6330 6.6330 6.8050 6.8050 7.1732 7.1732 7.3527 7.3527 7.4048 7.4048 7.7345 7.7345 7.7525 7.7525 10.4101 10.4101 11.9231 11.9231 12.0708 12.0708 k = 0.0436 0.0252 0.0712 ( 3351 PWs) bands (ev): -32.7359 -32.7359 -32.6486 -32.6486 -13.8555 -13.8555 -13.6288 -13.6288 -12.4542 -12.4542 -12.4493 -12.4493 -12.1851 -12.1851 -12.1807 -12.1807 0.3660 0.3660 5.5605 5.5605 6.6067 6.6067 6.6850 6.6850 6.8046 6.8046 7.1641 7.1641 7.3080 7.3080 7.3676 7.3676 7.6455 7.6455 7.6847 7.6847 10.3460 10.3460 11.9576 11.9576 12.0874 12.0874 k = 0.0349 0.0201 0.0570 ( 3339 PWs) bands (ev): -32.7361 -32.7361 -32.6483 -32.6483 -13.8560 -13.8560 -13.6277 -13.6277 -12.4536 -12.4536 -12.4505 -12.4505 -12.1841 -12.1841 -12.1813 -12.1813 0.3522 0.3522 5.6395 5.6395 6.6770 6.6770 6.7341 6.7341 6.8087 6.8087 7.1556 7.1556 7.2648 7.2648 7.3206 7.3206 7.5777 7.5777 7.6228 7.6228 10.2914 10.2914 11.9822 11.9822 12.1043 12.1043 k = 0.0262 0.0151 0.0427 ( 3339 PWs) bands (ev): -32.7364 -32.7364 -32.6481 -32.6481 -13.8565 -13.8565 -13.6269 -13.6269 -12.4532 -12.4532 -12.4514 -12.4514 -12.1834 -12.1834 -12.1818 -12.1818 0.3414 0.3414 5.7067 5.7067 6.7402 6.7402 6.7780 6.7780 6.8172 6.8172 7.1466 7.1466 7.2245 7.2245 7.2665 7.2665 7.5327 7.5327 7.5688 7.5688 10.2474 10.2474 11.9984 11.9984 12.1200 12.1200 k = 0.0174 0.0101 0.0285 ( 3339 PWs) bands (ev): -32.7365 -32.7365 -32.6479 -32.6479 -13.8568 -13.8568 -13.6262 -13.6262 -12.4529 -12.4529 -12.4521 -12.4521 -12.1829 -12.1829 -12.1822 -12.1822 0.3337 0.3337 5.7586 5.7586 6.7932 6.7932 6.8135 6.8135 6.8296 6.8296 7.1334 7.1334 7.1916 7.1916 7.2160 7.2160 7.5061 7.5061 7.5260 7.5260 10.2152 10.2152 12.0082 12.0082 12.1326 12.1326 k = 0.0087 0.0050 0.0142 ( 3343 PWs) bands (ev): -32.7367 -32.7367 -32.6478 -32.6478 -13.8570 -13.8570 -13.6259 -13.6259 -12.4526 -12.4526 -12.4525 -12.4525 -12.1825 -12.1825 -12.1824 -12.1824 0.3290 0.3290 5.7915 5.7915 6.8278 6.8278 6.8383 6.8383 6.8433 6.8433 7.1143 7.1143 7.1736 7.1736 7.1812 7.1812 7.4923 7.4923 7.4979 7.4979 10.1956 10.1956 12.0135 12.0135 12.1406 12.1406 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -32.7369 -32.7369 -32.6478 -32.6478 -13.8571 -13.8571 -13.6258 -13.6258 -12.4526 -12.4526 -12.4526 -12.4526 -12.1824 -12.1824 -12.1824 -12.1824 0.3275 0.3275 5.8028 5.8028 6.8371 6.8371 6.8500 6.8500 6.8500 6.8500 7.1039 7.1039 7.1688 7.1688 7.1688 7.1688 7.4880 7.4880 7.4880 7.4880 10.1890 10.1890 12.0151 12.0151 12.1434 12.1434 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -32.7369 -32.7369 -32.6478 -32.6478 -13.8571 -13.8571 -13.6258 -13.6258 -12.4526 -12.4526 -12.4526 -12.4526 -12.1824 -12.1824 -12.1824 -12.1824 0.3275 0.3275 5.8028 5.8028 6.8371 6.8371 6.8500 6.8500 6.8500 6.8500 7.1039 7.1039 7.1688 7.1688 7.1688 7.1688 7.4880 7.4880 7.4880 7.4880 10.1890 10.1890 12.0151 12.0151 12.1434 12.1434 k = 0.0143 0.0082 0.0058 ( 3344 PWs) bands (ev): -32.7367 -32.7367 -32.6478 -32.6478 -13.8570 -13.8570 -13.6259 -13.6259 -12.4527 -12.4527 -12.4524 -12.4524 -12.1826 -12.1826 -12.1824 -12.1824 0.3291 0.3291 5.7914 5.7914 6.8287 6.8287 6.8399 6.8399 6.8405 6.8405 7.1147 7.1147 7.1742 7.1742 7.1804 7.1804 7.4950 7.4950 7.4953 7.4953 10.1956 10.1956 12.0135 12.0135 12.1405 12.1405 k = 0.0286 0.0165 0.0117 ( 3338 PWs) bands (ev): -32.7365 -32.7365 -32.6479 -32.6479 -13.8568 -13.8568 -13.6262 -13.6262 -12.4529 -12.4529 -12.4520 -12.4520 -12.1829 -12.1829 -12.1821 -12.1821 0.3337 0.3337 5.7583 5.7583 6.8022 6.8022 6.8123 6.8123 6.8193 6.8193 7.1386 7.1386 7.1881 7.1881 7.2168 7.2168 7.5156 7.5156 7.5167 7.5167 10.2154 10.2154 12.0081 12.0081 12.1321 12.1321 k = 0.0429 0.0247 0.0175 ( 3338 PWs) bands (ev): -32.7364 -32.7364 -32.6481 -32.6481 -13.8565 -13.8565 -13.6269 -13.6269 -12.4533 -12.4533 -12.4512 -12.4512 -12.1835 -12.1835 -12.1817 -12.1817 0.3415 0.3415 5.7062 5.7062 6.7619 6.7619 6.7728 6.7728 6.7935 6.7935 7.1634 7.1634 7.2059 7.2059 7.2776 7.2776 7.5489 7.5489 7.5514 7.5514 10.2478 10.2478 11.9975 11.9975 12.1196 12.1196 k = 0.0571 0.0330 0.0233 ( 3338 PWs) bands (ev): -32.7361 -32.7361 -32.6483 -32.6483 -13.8560 -13.8560 -13.6277 -13.6277 -12.4539 -12.4539 -12.4502 -12.4502 -12.1844 -12.1844 -12.1811 -12.1811 0.3523 0.3523 5.6385 5.6385 6.7145 6.7145 6.7260 6.7260 6.7640 6.7640 7.1858 7.1858 7.2244 7.2244 7.3571 7.3571 7.5934 7.5934 7.5975 7.5975 10.2920 10.2920 11.9792 11.9792 12.1053 12.1053 k = 0.0714 0.0412 0.0292 ( 3350 PWs) bands (ev): -32.7359 -32.7359 -32.6486 -32.6486 -13.8555 -13.8555 -13.6288 -13.6288 -12.4546 -12.4546 -12.4489 -12.4489 -12.1854 -12.1854 -12.1804 -12.1804 0.3663 0.3663 5.5586 5.5586 6.6636 6.6636 6.6753 6.6753 6.7317 6.7317 7.2062 7.2062 7.2426 7.2426 7.4495 7.4495 7.6470 7.6470 7.6530 7.6530 10.3471 10.3471 11.9505 11.9505 12.0921 12.0921 k = 0.0857 0.0495 0.0350 ( 3356 PWs) bands (ev): -32.7355 -32.7355 -32.6490 -32.6490 -13.8548 -13.8548 -13.6301 -13.6301 -12.4555 -12.4555 -12.4473 -12.4473 -12.1867 -12.1867 -12.1796 -12.1796 0.3832 0.3832 5.4694 5.4694 6.6109 6.6109 6.6226 6.6226 6.6972 6.6972 7.2255 7.2255 7.2604 7.2604 7.5516 7.5516 7.7078 7.7078 7.7157 7.7157 10.4116 10.4116 11.9098 11.9098 12.0819 12.0819 k = 0.1000 0.0577 0.0408 ( 3350 PWs) bands (ev): -32.7351 -32.7351 -32.6494 -32.6494 -13.8540 -13.8540 -13.6317 -13.6317 -12.4565 -12.4565 -12.4454 -12.4454 -12.1883 -12.1883 -12.1786 -12.1786 0.4032 0.4032 5.3733 5.3733 6.5576 6.5576 6.5692 6.5692 6.6610 6.6610 7.2442 7.2442 7.2782 7.2782 7.6609 7.6609 7.7741 7.7741 7.7838 7.7838 10.4843 10.4843 11.8575 11.8575 12.0749 12.0749 k = 0.1143 0.0660 0.0467 ( 3335 PWs) bands (ev): -32.7346 -32.7346 -32.6498 -32.6498 -13.8530 -13.8530 -13.6334 -13.6334 -12.4576 -12.4576 -12.4432 -12.4432 -12.1900 -12.1900 -12.1775 -12.1775 0.4261 0.4261 5.2719 5.2719 6.5045 6.5045 6.5160 6.5160 6.6236 6.6236 7.2630 7.2630 7.2963 7.2963 7.7760 7.7760 7.8447 7.8447 7.8561 7.8561 10.5634 10.5634 11.7955 11.7955 12.0705 12.0705 k = 0.1286 0.0742 0.0525 ( 3335 PWs) bands (ev): -32.7341 -32.7341 -32.6504 -32.6504 -13.8520 -13.8520 -13.6354 -13.6354 -12.4588 -12.4588 -12.4408 -12.4408 -12.1920 -12.1920 -12.1763 -12.1763 0.4520 0.4520 5.1665 5.1665 6.4521 6.4521 6.4633 6.4633 6.5857 6.5857 7.2823 7.2823 7.3152 7.3152 7.8953 7.8953 7.9187 7.9187 7.9313 7.9313 10.6471 10.6471 11.7261 11.7261 12.0681 12.0681 k = 0.1429 0.0825 0.0583 ( 3341 PWs) bands (ev): -32.7335 -32.7335 -32.6510 -32.6510 -13.8508 -13.8508 -13.6376 -13.6376 -12.4601 -12.4601 -12.4381 -12.4381 -12.1942 -12.1942 -12.1750 -12.1750 0.4808 0.4808 5.0583 5.0583 6.4007 6.4007 6.4117 6.4117 6.5478 6.5478 7.3023 7.3023 7.3350 7.3350 7.9931 7.9931 8.0088 8.0088 8.0204 8.0204 10.7328 10.7328 11.6521 11.6521 12.0674 12.0674 k = 0.1571 0.0907 0.0642 ( 3335 PWs) bands (ev): -32.7328 -32.7328 -32.6517 -32.6517 -13.8495 -13.8495 -13.6399 -13.6399 -12.4615 -12.4615 -12.4352 -12.4352 -12.1966 -12.1966 -12.1736 -12.1736 0.5124 0.5124 4.9479 4.9479 6.3506 6.3506 6.3614 6.3614 6.5103 6.5103 7.3231 7.3231 7.3558 7.3558 8.0709 8.0709 8.0879 8.0879 8.1464 8.1464 10.8170 10.8170 11.5778 11.5778 12.0684 12.0684 k = 0.1714 0.0990 0.0700 ( 3341 PWs) bands (ev): -32.7321 -32.7321 -32.6524 -32.6524 -13.8482 -13.8482 -13.6424 -13.6424 -12.4630 -12.4630 -12.4321 -12.4321 -12.1992 -12.1992 -12.1721 -12.1721 0.5468 0.5468 4.8360 4.8360 6.3019 6.3019 6.3125 6.3125 6.4739 6.4739 7.3449 7.3449 7.3776 7.3776 8.1495 8.1495 8.1681 8.1681 8.2751 8.2751 10.8939 10.8939 11.5098 11.5098 12.0712 12.0712 k = 0.1857 0.1072 0.0758 ( 3341 PWs) bands (ev): -32.7314 -32.7314 -32.6531 -32.6531 -13.8467 -13.8467 -13.6451 -13.6451 -12.4645 -12.4645 -12.4287 -12.4287 -12.2020 -12.2020 -12.1706 -12.1706 0.5838 0.5838 4.7232 4.7232 6.2549 6.2549 6.2653 6.2653 6.4387 6.4387 7.3677 7.3677 7.4005 7.4005 8.2286 8.2286 8.2488 8.2488 8.4052 8.4052 10.9529 10.9529 11.4593 11.4593 12.0758 12.0758 k = 0.2000 0.1155 0.0816 ( 3323 PWs) bands (ev): -32.7305 -32.7305 -32.6539 -32.6539 -13.8451 -13.8451 -13.6479 -13.6479 -12.4661 -12.4661 -12.4252 -12.4252 -12.2049 -12.2049 -12.1690 -12.1690 0.6235 0.6235 4.6098 4.6098 6.2096 6.2096 6.2199 6.2199 6.4053 6.4053 7.3914 7.3914 7.4245 7.4245 8.3079 8.3079 8.3297 8.3297 8.5361 8.5361 10.9782 10.9782 11.4430 11.4430 12.0824 12.0824 k = 0.2143 0.1237 0.0875 ( 3323 PWs) bands (ev): -32.7296 -32.7296 -32.6548 -32.6548 -13.8434 -13.8434 -13.6509 -13.6509 -12.4677 -12.4677 -12.4214 -12.4214 -12.2080 -12.2080 -12.1674 -12.1674 0.6658 0.6658 4.4962 4.4962 6.1661 6.1661 6.1763 6.1763 6.3739 6.3739 7.4160 7.4160 7.4494 7.4494 8.3869 8.3869 8.4104 8.4104 8.6668 8.6668 10.9613 10.9613 11.4705 11.4705 12.0912 12.0912 k = 0.2286 0.1320 0.0933 ( 3332 PWs) bands (ev): -32.7288 -32.7288 -32.6557 -32.6557 -13.8417 -13.8417 -13.6539 -13.6539 -12.4693 -12.4693 -12.4175 -12.4175 -12.2113 -12.2113 -12.1658 -12.1658 0.7105 0.7105 4.3827 4.3827 6.1245 6.1245 6.1346 6.1346 6.3447 6.3447 7.4414 7.4414 7.4751 7.4751 8.4653 8.4653 8.4904 8.4904 8.7960 8.7960 10.9135 10.9135 11.5320 11.5320 12.1025 12.1025 k = 0.2429 0.1402 0.0991 ( 3341 PWs) bands (ev): -32.7279 -32.7279 -32.6566 -32.6566 -13.8398 -13.8398 -13.6571 -13.6571 -12.4709 -12.4709 -12.4134 -12.4134 -12.2148 -12.2148 -12.1642 -12.1642 0.7575 0.7575 4.2697 4.2697 6.0848 6.0848 6.0949 6.0949 6.3178 6.3178 7.4674 7.4674 7.5016 7.5016 8.5427 8.5427 8.5694 8.5694 8.9221 8.9221 10.8518 10.8518 11.6120 11.6120 12.1162 12.1162 k = 0.2571 0.1485 0.1050 ( 3347 PWs) bands (ev): -32.7270 -32.7270 -32.6576 -32.6576 -13.8379 -13.8379 -13.6603 -13.6603 -12.4725 -12.4725 -12.4092 -12.4092 -12.2183 -12.2183 -12.1626 -12.1626 0.8068 0.8068 4.1574 4.1574 6.0472 6.0472 6.0572 6.0572 6.2933 6.2933 7.4940 7.4940 7.5287 7.5287 8.6187 8.6187 8.6471 8.6471 9.0430 9.0430 10.7883 10.7883 11.7007 11.7007 12.1321 12.1322 k = 0.2714 0.1567 0.1108 ( 3344 PWs) bands (ev): -32.7260 -32.7260 -32.6585 -32.6585 -13.8360 -13.8360 -13.6635 -13.6635 -12.4741 -12.4741 -12.4049 -12.4049 -12.2220 -12.2220 -12.1610 -12.1610 0.8581 0.8581 4.0462 4.0462 6.0116 6.0116 6.0215 6.0215 6.2713 6.2713 7.5210 7.5210 7.5562 7.5562 8.6929 8.6929 8.7229 8.7229 9.1558 9.1558 10.7313 10.7313 11.7930 11.7930 12.1490 12.1491 k = 0.2857 0.1650 0.1166 ( 3347 PWs) bands (ev): -32.7250 -32.7250 -32.6595 -32.6595 -13.8340 -13.8340 -13.6668 -13.6668 -12.4757 -12.4757 -12.4005 -12.4005 -12.2258 -12.2258 -12.1595 -12.1595 0.9114 0.9114 3.9363 3.9363 5.9780 5.9780 5.9879 5.9879 6.2517 6.2517 7.5482 7.5482 7.5839 7.5839 8.7650 8.7650 8.7966 8.7966 9.2568 9.2568 10.6869 10.6869 11.8862 11.8862 12.1567 12.1567 k = 0.3000 0.1732 0.1225 ( 3347 PWs) bands (ev): -32.7240 -32.7240 -32.6605 -32.6605 -13.8320 -13.8320 -13.6701 -13.6701 -12.4772 -12.4772 -12.3960 -12.3960 -12.2297 -12.2297 -12.1580 -12.1580 0.9664 0.9664 3.8279 3.8279 5.9465 5.9465 5.9564 5.9564 6.2346 6.2346 7.5753 7.5753 7.6116 7.6116 8.8346 8.8346 8.8678 8.8678 9.3414 9.3414 10.6613 10.6613 11.9788 11.9788 12.1103 12.1103 k = 0.3143 0.1815 0.1283 ( 3335 PWs) bands (ev): -32.7230 -32.7230 -32.6615 -32.6615 -13.8299 -13.8299 -13.6734 -13.6734 -12.4786 -12.4786 -12.3914 -12.3914 -12.2337 -12.2337 -12.1565 -12.1565 1.0230 1.0230 3.7214 3.7214 5.9171 5.9171 5.9271 5.9271 6.2198 6.2198 7.6023 7.6023 7.6392 7.6392 8.9014 8.9014 8.9360 8.9360 9.4055 9.4055 10.6596 10.6596 12.0300 12.0300 12.0717 12.0718 k = 0.3286 0.1897 0.1341 ( 3329 PWs) bands (ev): -32.7220 -32.7220 -32.6624 -32.6624 -13.8278 -13.8278 -13.6766 -13.6766 -12.4800 -12.4800 -12.3868 -12.3868 -12.2377 -12.2377 -12.1552 -12.1552 1.0809 1.0809 3.6172 3.6172 5.8899 5.8899 5.8999 5.8999 6.2073 6.2073 7.6287 7.6287 7.6663 7.6663 8.9649 8.9649 9.0010 9.0010 9.4464 9.4464 10.6848 10.6848 11.9500 11.9500 11.9964 11.9964 k = 0.3429 0.1979 0.1400 ( 3320 PWs) bands (ev): -32.7210 -32.7210 -32.6634 -32.6634 -13.8258 -13.8258 -13.6798 -13.6798 -12.4813 -12.4813 -12.3822 -12.3822 -12.2418 -12.2418 -12.1539 -12.1539 1.1397 1.1397 3.5155 3.5155 5.8648 5.8648 5.8748 5.8748 6.1968 6.1968 7.6545 7.6545 7.6928 7.6928 9.0249 9.0249 9.0623 9.0623 9.4643 9.4643 10.7368 10.7368 11.8718 11.8718 11.9171 11.9171 k = 0.3571 0.2062 0.1458 ( 3320 PWs) bands (ev): -32.7200 -32.7200 -32.6644 -32.6644 -13.8238 -13.8238 -13.6828 -13.6828 -12.4825 -12.4825 -12.3776 -12.3776 -12.2458 -12.2458 -12.1527 -12.1527 1.1991 1.1991 3.4168 3.4168 5.8419 5.8419 5.8519 5.8519 6.1882 6.1882 7.6793 7.6793 7.7182 7.7182 9.0811 9.0811 9.1196 9.1196 9.4629 9.4629 10.8117 10.8117 11.7975 11.7975 11.8421 11.8421 k = 0.3714 0.2144 0.1516 ( 3320 PWs) bands (ev): -32.7191 -32.7191 -32.6653 -32.6653 -13.8219 -13.8219 -13.6858 -13.6858 -12.4837 -12.4837 -12.3731 -12.3731 -12.2498 -12.2498 -12.1515 -12.1515 1.2586 1.2586 3.3217 3.3217 5.8211 5.8211 5.8311 5.8311 6.1813 6.1813 7.7028 7.7028 7.7424 7.7424 9.1331 9.1331 9.1726 9.1726 9.4474 9.4474 10.9039 10.9039 11.7279 11.7279 11.7722 11.7722 k = 0.3857 0.2227 0.1575 ( 3332 PWs) bands (ev): -32.7183 -32.7183 -32.6662 -32.6662 -13.8200 -13.8200 -13.6885 -13.6885 -12.4847 -12.4847 -12.3687 -12.3687 -12.2538 -12.2538 -12.1505 -12.1505 1.3176 1.3176 3.2307 3.2307 5.8025 5.8025 5.8125 5.8125 6.1760 6.1760 7.7249 7.7249 7.7651 7.7651 9.1805 9.1805 9.2210 9.2210 9.4230 9.4230 11.0071 11.0071 11.6636 11.6636 11.7078 11.7078 k = 0.4000 0.2309 0.1633 ( 3332 PWs) bands (ev): -32.7175 -32.7175 -32.6670 -32.6670 -13.8183 -13.8183 -13.6910 -13.6910 -12.4856 -12.4856 -12.3645 -12.3645 -12.2576 -12.2576 -12.1496 -12.1496 1.3753 1.3753 3.1448 3.1448 5.7860 5.7860 5.7961 5.7961 6.1719 6.1719 7.7451 7.7451 7.7860 7.7860 9.2232 9.2232 9.2644 9.2644 9.3941 9.3941 11.1158 11.1158 11.6054 11.6054 11.6494 11.6494 k = 0.4143 0.2392 0.1691 ( 3338 PWs) bands (ev): -32.7168 -32.7168 -32.6677 -32.6677 -13.8167 -13.8167 -13.6934 -13.6934 -12.4864 -12.4864 -12.3605 -12.3605 -12.2612 -12.2612 -12.1488 -12.1488 1.4308 1.4308 3.0648 3.0648 5.7718 5.7718 5.7819 5.7819 6.1690 6.1690 7.7633 7.7633 7.8047 7.8047 9.2606 9.2606 9.3027 9.3027 9.3644 9.3644 11.2245 11.2245 11.5539 11.5539 11.5976 11.5976 k = 0.4286 0.2474 0.1750 ( 3326 PWs) bands (ev): -32.7161 -32.7161 -32.6683 -32.6683 -13.8152 -13.8152 -13.6954 -13.6954 -12.4871 -12.4871 -12.3569 -12.3569 -12.2646 -12.2646 -12.1481 -12.1481 1.4827 1.4827 2.9921 2.9921 5.7597 5.7597 5.7699 5.7699 6.1669 6.1669 7.7792 7.7792 7.8211 7.8211 9.2918 9.2918 9.3356 9.3356 9.3370 9.3370 11.3278 11.3278 11.5102 11.5102 11.5527 11.5527 k = 0.4429 0.2557 0.1808 ( 3329 PWs) bands (ev): -32.7156 -32.7156 -32.6689 -32.6689 -13.8140 -13.8140 -13.6971 -13.6971 -12.4877 -12.4877 -12.3536 -12.3536 -12.2676 -12.2676 -12.1475 -12.1475 1.5295 1.5295 2.9283 2.9283 5.7498 5.7498 5.7600 5.7600 6.1655 6.1655 7.7925 7.7925 7.8349 7.8349 9.3040 9.3040 9.3264 9.3264 9.3628 9.3628 11.4161 11.4161 11.4797 11.4797 11.5153 11.5153 k = 0.4571 0.2639 0.1866 ( 3317 PWs) bands (ev): -32.7151 -32.7151 -32.6693 -32.6693 -13.8131 -13.8131 -13.6985 -13.6985 -12.4881 -12.4881 -12.3509 -12.3509 -12.2701 -12.2701 -12.1471 -12.1471 1.5692 1.5692 2.8754 2.8754 5.7421 5.7421 5.7523 5.7523 6.1646 6.1646 7.8031 7.8031 7.8459 7.8459 9.2868 9.2868 9.3439 9.3439 9.3842 9.3842 11.4325 11.4325 11.4858 11.4858 11.5147 11.5147 k = 0.4714 0.2722 0.1925 ( 3323 PWs) bands (ev): -32.7148 -32.7148 -32.6697 -32.6697 -13.8123 -13.8123 -13.6995 -13.6995 -12.4885 -12.4885 -12.3489 -12.3489 -12.2720 -12.2720 -12.1468 -12.1468 1.5998 1.5998 2.8354 2.8354 5.7366 5.7366 5.7469 5.7469 6.1641 6.1641 7.8108 7.8108 7.8539 7.8539 9.2718 9.2718 9.3586 9.3586 9.3996 9.3996 11.4146 11.4146 11.4644 11.4644 11.5733 11.5733 k = 0.4857 0.2804 0.1983 ( 3317 PWs) bands (ev): -32.7145 -32.7145 -32.6699 -32.6699 -13.8119 -13.8119 -13.7001 -13.7001 -12.4887 -12.4887 -12.3476 -12.3476 -12.2732 -12.2732 -12.1466 -12.1466 1.6192 1.6192 2.8103 2.8103 5.7333 5.7333 5.7436 5.7436 6.1638 6.1638 7.8155 7.8155 7.8587 7.8587 9.2624 9.2624 9.3676 9.3676 9.4089 9.4089 11.4025 11.4025 11.4515 11.4515 11.6118 11.6118 k = 0.5000 0.2887 0.2041 ( 3316 PWs) bands (ev): -32.7145 -32.7145 -32.6699 -32.6699 -13.8118 -13.8118 -13.7003 -13.7003 -12.4887 -12.4887 -12.3471 -12.3471 -12.2736 -12.2736 -12.1465 -12.1465 1.6258 1.6258 2.8018 2.8018 5.7322 5.7322 5.7425 5.7425 6.1637 6.1637 7.8171 7.8171 7.8603 7.8603 9.2593 9.2593 9.3707 9.3707 9.4120 9.4120 11.3983 11.3983 11.4472 11.4472 11.6251 11.6251 k = 0.5000 0.2887 0.2041 ( 3316 PWs) bands (ev): -32.7145 -32.7145 -32.6699 -32.6699 -13.8118 -13.8118 -13.7003 -13.7003 -12.4887 -12.4887 -12.3471 -12.3471 -12.2736 -12.2736 -12.1465 -12.1465 1.6258 1.6258 2.8018 2.8018 5.7322 5.7322 5.7425 5.7425 6.1637 6.1637 7.8171 7.8171 7.8603 7.8603 9.2593 9.2593 9.3707 9.3707 9.4120 9.4120 11.3983 11.3983 11.4472 11.4472 11.6251 11.6251 k = 0.5050 0.2742 0.2123 ( 3320 PWs) bands (ev): -32.7144 -32.7144 -32.6700 -32.6700 -13.8117 -13.8117 -13.7004 -13.7004 -12.4887 -12.4887 -12.3470 -12.3470 -12.2737 -12.2737 -12.1465 -12.1465 1.6268 1.6268 2.8023 2.8023 5.7119 5.7119 5.7381 5.7381 6.1897 6.1897 7.8161 7.8161 7.8595 7.8595 9.2468 9.2468 9.3777 9.3777 9.4199 9.4199 11.3929 11.3929 11.4422 11.4422 11.6232 11.6232 k = 0.5100 0.2598 0.2205 ( 3330 PWs) bands (ev): -32.7144 -32.7144 -32.6701 -32.6701 -13.8115 -13.8115 -13.7007 -13.7007 -12.4888 -12.4888 -12.3467 -12.3467 -12.2740 -12.2740 -12.1465 -12.1465 1.6298 1.6298 2.8039 2.8039 5.6516 5.6516 5.7367 5.7367 6.2549 6.2549 7.8118 7.8118 7.8586 7.8586 9.2191 9.2191 9.3861 9.3861 9.4467 9.4467 11.3731 11.3731 11.4317 11.4317 11.6174 11.6174 k = 0.5150 0.2454 0.2286 ( 3321 PWs) bands (ev): -32.7142 -32.7142 -32.6702 -32.6702 -13.8111 -13.8111 -13.7011 -13.7011 -12.4888 -12.4888 -12.3461 -12.3461 -12.2745 -12.2745 -12.1464 -12.1464 1.6349 1.6349 2.8064 2.8064 5.5732 5.5732 5.7355 5.7355 6.3404 6.3404 7.8011 7.8011 7.8612 7.8612 9.1864 9.1864 9.3904 9.3904 9.4871 9.4871 11.3351 11.3351 11.4220 11.4220 11.6075 11.6075 k = 0.5200 0.2309 0.2368 ( 3323 PWs) bands (ev): -32.7140 -32.7140 -32.6704 -32.6704 -13.8107 -13.8107 -13.7018 -13.7018 -12.4888 -12.4888 -12.3453 -12.3453 -12.2752 -12.2752 -12.1464 -12.1464 1.6419 1.6419 2.8098 2.8098 5.4876 5.4876 5.7340 5.7340 6.4352 6.4352 7.7834 7.7834 7.8688 7.8688 9.1523 9.1523 9.3932 9.3932 9.5344 9.5344 11.2819 11.2819 11.4132 11.4132 11.5931 11.5931 k = 0.5250 0.2165 0.2449 ( 3323 PWs) bands (ev): -32.7137 -32.7137 -32.6707 -32.6707 -13.8101 -13.8101 -13.7026 -13.7026 -12.4889 -12.4889 -12.3444 -12.3444 -12.2761 -12.2761 -12.1463 -12.1463 1.6509 1.6509 2.8139 2.8139 5.3999 5.3999 5.7321 5.7321 6.5340 6.5340 7.7602 7.7602 7.8810 7.8810 9.1176 9.1176 9.3959 9.3959 9.5857 9.5857 11.2187 11.2187 11.4038 11.4038 11.5735 11.5735 k = 0.5300 0.2021 0.2531 ( 3319 PWs) bands (ev): -32.7133 -32.7133 -32.6711 -32.6711 -13.8093 -13.8093 -13.7036 -13.7036 -12.4890 -12.4890 -12.3432 -12.3432 -12.2771 -12.2771 -12.1462 -12.1462 1.6619 1.6619 2.8185 2.8185 5.3125 5.3125 5.7299 5.7299 6.6335 6.6335 7.7338 7.7338 7.8970 7.8970 9.0824 9.0824 9.3987 9.3987 9.6398 9.6398 11.1495 11.1495 11.3929 11.3929 11.5483 11.5483 k = 0.5350 0.1876 0.2613 ( 3323 PWs) bands (ev): -32.7129 -32.7129 -32.6716 -32.6716 -13.8085 -13.8085 -13.7048 -13.7048 -12.4890 -12.4890 -12.3419 -12.3419 -12.2783 -12.2783 -12.1461 -12.1461 1.6749 1.6749 2.8234 2.8234 5.2269 5.2269 5.7273 5.7273 6.7308 6.7308 7.7068 7.7068 7.9164 7.9164 9.0463 9.0463 9.4017 9.4017 9.6960 9.6960 11.0777 11.0777 11.3799 11.3799 11.5171 11.5171 k = 0.5400 0.1732 0.2694 ( 3319 PWs) bands (ev): -32.7124 -32.7124 -32.6720 -32.6720 -13.8075 -13.8075 -13.7062 -13.7062 -12.4891 -12.4891 -12.3405 -12.3405 -12.2796 -12.2796 -12.1460 -12.1460 1.6898 1.6898 2.8282 2.8282 5.1440 5.1440 5.7245 5.7245 6.8227 6.8227 7.6825 7.6825 7.9390 7.9390 9.0088 9.0088 9.4051 9.4051 9.7538 9.7538 11.0059 11.0059 11.3646 11.3646 11.4796 11.4796 k = 0.5450 0.1588 0.2776 ( 3319 PWs) bands (ev): -32.7119 -32.7119 -32.6726 -32.6726 -13.8064 -13.8064 -13.7077 -13.7077 -12.4891 -12.4891 -12.3390 -12.3390 -12.2810 -12.2810 -12.1460 -12.1460 1.7067 1.7067 2.8326 2.8326 5.0647 5.0647 5.7215 5.7215 6.9051 6.9051 7.6653 7.6653 7.9647 7.9647 8.9692 8.9692 9.4087 9.4087 9.8126 9.8126 10.9363 10.9363 11.3466 11.3466 11.4361 11.4361 k = 0.5500 0.1443 0.2858 ( 3320 PWs) bands (ev): -32.7113 -32.7113 -32.6732 -32.6732 -13.8051 -13.8051 -13.7094 -13.7094 -12.4891 -12.4891 -12.3374 -12.3374 -12.2824 -12.2824 -12.1459 -12.1459 1.7255 1.7255 2.8361 2.8361 4.9895 4.9895 5.7182 5.7182 6.9726 6.9726 7.6609 7.6609 7.9934 7.9934 8.9271 8.9271 9.4126 9.4126 9.8720 9.8720 10.8707 10.8707 11.3257 11.3257 11.3872 11.3872 k = 0.5550 0.1299 0.2939 ( 3317 PWs) bands (ev): -32.7106 -32.7106 -32.6738 -32.6738 -13.8038 -13.8038 -13.7112 -13.7112 -12.4891 -12.4891 -12.3359 -12.3359 -12.2837 -12.2837 -12.1459 -12.1459 1.7463 1.7463 2.8384 2.8384 4.9191 4.9191 5.7148 5.7148 7.0193 7.0193 7.6756 7.6756 8.0249 8.0249 8.8821 8.8821 9.4167 9.4167 9.9313 9.9313 10.8108 10.8108 11.3008 11.3008 11.3348 11.3348 k = 0.5600 0.1155 0.3021 ( 3316 PWs) bands (ev): -32.7099 -32.7099 -32.6745 -32.6745 -13.8023 -13.8023 -13.7131 -13.7131 -12.4890 -12.4890 -12.3344 -12.3344 -12.2850 -12.2850 -12.1459 -12.1459 1.7689 1.7689 2.8389 2.8389 4.8540 4.8540 5.7113 5.7113 7.0416 7.0416 7.7128 7.7128 8.0591 8.0591 8.8336 8.8336 9.4210 9.4210 9.9896 9.9896 10.7576 10.7576 11.2656 11.2656 11.2864 11.2864 k = 0.5650 0.1010 0.3103 ( 3320 PWs) bands (ev): -32.7092 -32.7092 -32.6753 -32.6753 -13.8007 -13.8007 -13.7152 -13.7152 -12.4889 -12.4889 -12.3331 -12.3331 -12.2862 -12.2862 -12.1459 -12.1459 1.7933 1.7933 2.8371 2.8371 4.7949 4.7949 5.7078 5.7078 7.0412 7.0412 7.7714 7.7714 8.0960 8.0960 8.7818 8.7818 9.4253 9.4253 10.0462 10.0462 10.7121 10.7121 11.2118 11.2118 11.2520 11.2520 k = 0.5700 0.0866 0.3184 ( 3320 PWs) bands (ev): -32.7083 -32.7083 -32.6761 -32.6761 -13.7990 -13.7990 -13.7174 -13.7174 -12.4888 -12.4888 -12.3321 -12.3321 -12.2871 -12.2871 -12.1460 -12.1460 1.8195 1.8195 2.8325 2.8325 4.7421 4.7421 5.7044 5.7044 7.0230 7.0230 7.8460 7.8460 8.1354 8.1354 8.7266 8.7266 9.4297 9.4297 10.0997 10.0997 10.6750 10.6750 11.1537 11.1537 11.2193 11.2193 k = 0.5750 0.0722 0.3266 ( 3320 PWs) bands (ev): -32.7075 -32.7075 -32.6769 -32.6769 -13.7971 -13.7971 -13.7197 -13.7197 -12.4886 -12.4886 -12.3314 -12.3314 -12.2876 -12.2876 -12.1461 -12.1461 1.8475 1.8475 2.8246 2.8246 4.6962 4.6962 5.7010 5.7010 6.9930 6.9930 7.9304 7.9304 8.1771 8.1771 8.6687 8.6687 9.4341 9.4341 10.1489 10.1489 10.6463 10.6463 11.0973 11.0973 11.1849 11.1849 k = 0.5800 0.0577 0.3348 ( 3318 PWs) bands (ev): -32.7066 -32.7066 -32.6778 -32.6778 -13.7952 -13.7952 -13.7221 -13.7221 -12.4883 -12.4883 -12.3313 -12.3313 -12.2877 -12.2877 -12.1462 -12.1462 1.8770 1.8770 2.8131 2.8131 4.6577 4.6577 5.6977 5.6977 6.9558 6.9558 8.0192 8.0192 8.2211 8.2211 8.6093 8.6093 9.4383 9.4383 10.1924 10.1924 10.6250 10.6250 11.0462 11.0462 11.1484 11.1484 k = 0.5850 0.0433 0.3429 ( 3314 PWs) bands (ev): -32.7057 -32.7057 -32.6787 -32.6787 -13.7933 -13.7933 -13.7246 -13.7246 -12.4879 -12.4879 -12.3316 -12.3316 -12.2872 -12.2872 -12.1465 -12.1465 1.9080 1.9080 2.7976 2.7976 4.6267 4.6267 5.6947 5.6947 6.9144 6.9144 8.1065 8.1065 8.2670 8.2670 8.5510 8.5510 9.4423 9.4423 10.2294 10.2294 10.6089 10.6089 11.0043 11.0043 11.1102 11.1102 k = 0.5900 0.0289 0.3511 ( 3310 PWs) bands (ev): -32.7047 -32.7047 -32.6797 -32.6797 -13.7912 -13.7912 -13.7271 -13.7271 -12.4875 -12.4875 -12.3325 -12.3325 -12.2862 -12.2862 -12.1467 -12.1467 1.9404 1.9404 2.7779 2.7779 4.6035 4.6035 5.6919 5.6919 6.8713 6.8713 8.1832 8.1832 8.3146 8.3146 8.5011 8.5011 9.4460 9.4460 10.2595 10.2595 10.5937 10.5937 10.9762 10.9762 11.0706 11.0706 k = 0.5950 0.0144 0.3593 ( 3308 PWs) bands (ev): -32.7038 -32.7038 -32.6806 -32.6806 -13.7891 -13.7891 -13.7296 -13.7296 -12.4870 -12.4870 -12.3339 -12.3339 -12.2847 -12.2847 -12.1471 -12.1471 1.9739 1.9739 2.7543 2.7543 4.5880 4.5880 5.6895 5.6895 6.8278 6.8278 8.2287 8.2287 8.3637 8.3637 8.4788 8.4788 9.4495 9.4495 10.2838 10.2838 10.5750 10.5750 10.9654 10.9654 11.0304 11.0304 k = 0.6000-0.0000 0.3674 ( 3310 PWs) bands (ev): -32.7028 -32.7028 -32.6816 -32.6816 -13.7870 -13.7870 -13.7321 -13.7321 -12.4865 -12.4865 -12.3359 -12.3359 -12.2827 -12.2827 -12.1475 -12.1475 2.0081 2.0081 2.7269 2.7269 4.5802 4.5802 5.6874 5.6874 6.7852 6.7852 8.2191 8.2191 8.4135 8.4135 8.5074 8.5074 9.4526 9.4526 10.3036 10.3036 10.5506 10.5506 10.9690 10.9690 10.9937 10.9937 k = 0.6050-0.0144 0.3756 ( 3310 PWs) bands (ev): -32.7018 -32.7018 -32.6826 -32.6826 -13.7848 -13.7848 -13.7346 -13.7346 -12.4858 -12.4858 -12.3382 -12.3382 -12.2804 -12.2804 -12.1480 -12.1480 2.0426 2.0426 2.6965 2.6965 4.5798 4.5798 5.6858 5.6858 6.7440 6.7440 8.1695 8.1695 8.4636 8.4636 8.5708 8.5708 9.4556 9.4556 10.3204 10.3204 10.5219 10.5219 10.9435 10.9435 11.0019 11.0019 k = 0.6100-0.0289 0.3838 ( 3316 PWs) bands (ev): -32.7009 -32.7009 -32.6835 -32.6835 -13.7828 -13.7828 -13.7370 -13.7370 -12.4851 -12.4851 -12.3409 -12.3409 -12.2777 -12.2777 -12.1485 -12.1485 2.0765 2.0765 2.6639 2.6639 4.5864 4.5864 5.6848 5.6848 6.7051 6.7051 8.1039 8.1039 8.5134 8.5134 8.6442 8.6442 9.4584 9.4584 10.3351 10.3351 10.4921 10.4921 10.9036 10.9036 11.0362 11.0362 k = 0.6150-0.0433 0.3919 ( 3317 PWs) bands (ev): -32.7001 -32.7001 -32.6844 -32.6844 -13.7809 -13.7809 -13.7391 -13.7391 -12.4843 -12.4843 -12.3439 -12.3439 -12.2748 -12.2748 -12.1492 -12.1492 2.1086 2.1086 2.6309 2.6309 4.5994 4.5994 5.6842 5.6842 6.6688 6.6688 8.0320 8.0320 8.5624 8.5624 8.7169 8.7169 9.4614 9.4614 10.3477 10.3477 10.4656 10.4656 10.8638 10.8638 11.0786 11.0786 k = 0.6200-0.0577 0.4001 ( 3312 PWs) bands (ev): -32.6993 -32.6993 -32.6851 -32.6851 -13.7792 -13.7792 -13.7410 -13.7410 -12.4834 -12.4834 -12.3471 -12.3471 -12.2716 -12.2716 -12.1499 -12.1499 2.1368 2.1368 2.5998 2.5998 4.6183 4.6183 5.6843 5.6843 6.6355 6.6355 7.9576 7.9576 8.6093 8.6093 8.7846 8.7846 9.4651 9.4651 10.3566 10.3566 10.4468 10.4468 10.8252 10.8252 11.1254 11.1254 k = 0.6250-0.0722 0.4082 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1743 11.1743 k = 0.6250-0.0722 0.4082 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1743 11.1743 k = 0.6167-0.0674 0.4219 ( 3312 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7426 -13.7426 -12.4825 -12.4825 -12.3504 -12.3504 -12.2685 -12.2685 -12.1506 -12.1506 2.1591 2.1591 2.5736 2.5736 4.6439 4.6439 5.6742 5.6742 6.6188 6.6188 7.8824 7.8824 8.6497 8.6497 8.8392 8.8392 9.4734 9.4734 10.3598 10.3598 10.4398 10.4398 10.7865 10.7865 11.1804 11.1804 k = 0.6083-0.0625 0.4355 ( 3307 PWs) bands (ev): -32.6986 -32.6986 -32.6858 -32.6858 -13.7776 -13.7776 -13.7428 -13.7428 -12.4826 -12.4826 -12.3498 -12.3498 -12.2691 -12.2691 -12.1505 -12.1505 2.1621 2.1621 2.5718 2.5718 4.6477 4.6477 5.6434 5.6434 6.6569 6.6569 7.8822 7.8822 8.6394 8.6394 8.8228 8.8228 9.4834 9.4834 10.3608 10.3608 10.4393 10.4393 10.7808 10.7808 11.1984 11.1984 k = 0.6000-0.0577 0.4491 ( 3315 PWs) bands (ev): -32.6984 -32.6984 -32.6860 -32.6860 -13.7773 -13.7773 -13.7432 -13.7432 -12.4828 -12.4828 -12.3488 -12.3488 -12.2700 -12.2700 -12.1503 -12.1503 2.1673 2.1673 2.5688 2.5688 4.6541 4.6541 5.5971 5.5971 6.7153 6.7153 7.8818 7.8818 8.6228 8.6228 8.7966 8.7966 9.4992 9.4992 10.3568 10.3568 10.4441 10.4441 10.7728 10.7728 11.2265 11.2265 k = 0.5917-0.0529 0.4627 ( 3315 PWs) bands (ev): -32.6982 -32.6982 -32.6862 -32.6862 -13.7769 -13.7769 -13.7436 -13.7436 -12.4832 -12.4832 -12.3474 -12.3474 -12.2713 -12.2713 -12.1501 -12.1501 2.1745 2.1745 2.5644 2.5644 4.6630 4.6630 5.5402 5.5402 6.7891 6.7891 7.8812 7.8812 8.6005 8.6005 8.7618 8.7618 9.5199 9.5199 10.3433 10.3433 10.4584 10.4584 10.7638 10.7638 11.2630 11.2630 k = 0.5833-0.0481 0.4763 ( 3320 PWs) bands (ev): -32.6980 -32.6980 -32.6865 -32.6865 -13.7763 -13.7763 -13.7442 -13.7442 -12.4835 -12.4835 -12.3457 -12.3457 -12.2729 -12.2729 -12.1497 -12.1497 2.1837 2.1837 2.5586 2.5586 4.6744 4.6744 5.4771 5.4771 6.8741 6.8741 7.8802 7.8802 8.5734 8.5734 8.7199 8.7199 9.5445 9.5445 10.3210 10.3210 10.4814 10.4814 10.7551 10.7551 11.3060 11.3060 k = 0.5750-0.0433 0.4899 ( 3323 PWs) bands (ev): -32.6976 -32.6976 -32.6868 -32.6868 -13.7757 -13.7757 -13.7449 -13.7449 -12.4840 -12.4840 -12.3437 -12.3437 -12.2748 -12.2748 -12.1494 -12.1494 2.1950 2.1950 2.5513 2.5513 4.6882 4.6882 5.4108 5.4108 6.9671 6.9671 7.8787 7.8787 8.5423 8.5423 8.6722 8.6722 9.5724 9.5724 10.2922 10.2922 10.5103 10.5103 10.7475 10.7475 11.3539 11.3539 k = 0.5667-0.0385 0.5035 ( 3321 PWs) bands (ev): -32.6973 -32.6973 -32.6872 -32.6872 -13.7749 -13.7749 -13.7457 -13.7457 -12.4844 -12.4844 -12.3414 -12.3414 -12.2770 -12.2770 -12.1490 -12.1490 2.2084 2.2084 2.5423 2.5423 4.7044 4.7044 5.3436 5.3436 7.0656 7.0656 7.8764 7.8764 8.5083 8.5083 8.6199 8.6199 9.6028 9.6028 10.2586 10.2586 10.5429 10.5429 10.7413 10.7413 11.4054 11.4054 k = 0.5583-0.0337 0.5171 ( 3320 PWs) bands (ev): -32.6968 -32.6968 -32.6876 -32.6876 -13.7741 -13.7741 -13.7466 -13.7466 -12.4849 -12.4849 -12.3388 -12.3388 -12.2795 -12.2795 -12.1486 -12.1486 2.2237 2.2237 2.5314 2.5314 4.7230 4.7230 5.2774 5.2774 7.1679 7.1679 7.8732 7.8732 8.4725 8.4725 8.5641 8.5641 9.6355 9.6355 10.2216 10.2216 10.5773 10.5773 10.7370 10.7370 11.4594 11.4594 k = 0.5500-0.0289 0.5307 ( 3318 PWs) bands (ev): -32.6963 -32.6963 -32.6881 -32.6881 -13.7732 -13.7732 -13.7476 -13.7476 -12.4853 -12.4853 -12.3361 -12.3361 -12.2821 -12.2821 -12.1482 -12.1482 2.2411 2.2411 2.5185 2.5185 4.7438 4.7438 5.2133 5.2133 7.2723 7.2723 7.8686 7.8686 8.4358 8.4358 8.5061 8.5061 9.6703 9.6703 10.1821 10.1821 10.6119 10.6119 10.7345 10.7345 11.5146 11.5146 k = 0.5417-0.0241 0.5443 ( 3314 PWs) bands (ev): -32.6957 -32.6957 -32.6887 -32.6887 -13.7722 -13.7722 -13.7487 -13.7487 -12.4858 -12.4858 -12.3332 -12.3332 -12.2849 -12.2849 -12.1478 -12.1478 2.2605 2.2605 2.5034 2.5034 4.7669 4.7669 5.1522 5.1522 7.3773 7.3773 7.8623 7.8623 8.3993 8.3993 8.4473 8.4473 9.7069 9.7069 10.1406 10.1406 10.6449 10.6449 10.7338 10.7338 11.5703 11.5703 k = 0.5333-0.0192 0.5579 ( 3314 PWs) bands (ev): -32.6951 -32.6951 -32.6893 -32.6893 -13.7713 -13.7713 -13.7497 -13.7497 -12.4862 -12.4862 -12.3304 -12.3304 -12.2877 -12.2877 -12.1475 -12.1475 2.2819 2.2819 2.4858 2.4858 4.7920 4.7920 5.0951 5.0951 7.4811 7.4811 7.8538 7.8538 8.3639 8.3639 8.3895 8.3895 9.7453 9.7453 10.0978 10.0978 10.6748 10.6748 10.7348 10.7348 11.6255 11.6255 k = 0.5250-0.0144 0.5715 ( 3316 PWs) bands (ev): -32.6945 -32.6945 -32.6900 -32.6900 -13.7703 -13.7703 -13.7507 -13.7507 -12.4865 -12.4865 -12.3276 -12.3276 -12.2903 -12.2903 -12.1472 -12.1472 2.3052 2.3052 2.4658 2.4658 4.8191 4.8191 5.0426 5.0426 7.5807 7.5807 7.8425 7.8425 8.3280 8.3280 8.3380 8.3380 9.7855 9.7855 10.0539 10.0539 10.6992 10.6992 10.7377 10.7377 11.6793 11.6793 k = 0.5167-0.0096 0.5852 ( 3316 PWs) bands (ev): -32.6938 -32.6938 -32.6907 -32.6907 -13.7695 -13.7695 -13.7516 -13.7516 -12.4867 -12.4867 -12.3252 -12.3252 -12.2927 -12.2927 -12.1470 -12.1470 2.3304 2.3304 2.4430 2.4430 4.8478 4.8478 4.9954 4.9954 7.6715 7.6715 7.8280 7.8280 8.2857 8.2857 8.3044 8.3044 9.8272 9.8272 10.0094 10.0094 10.7159 10.7159 10.7430 10.7430 11.7309 11.7309 k = 0.5083-0.0048 0.5988 ( 3316 PWs) bands (ev): -32.6930 -32.6930 -32.6914 -32.6914 -13.7689 -13.7689 -13.7522 -13.7522 -12.4869 -12.4869 -12.3234 -12.3234 -12.2944 -12.2944 -12.1469 -12.1469 2.3572 2.3572 2.4178 2.4178 4.8771 4.8771 4.9549 4.9549 7.7448 7.7448 7.8098 7.8098 8.2560 8.2560 8.2791 8.2791 9.8702 9.8702 9.9648 9.9648 10.7244 10.7244 10.7490 10.7490 11.7795 11.7795 k = 0.5000-0.0000 0.6124 ( 3316 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7687 -13.7687 -13.7524 -13.7524 -12.4869 -12.4869 -12.3228 -12.3228 -12.2950 -12.2950 -12.1468 -12.1468 2.3792 2.3792 2.3964 2.3964 4.8970 4.8970 4.9312 4.9312 7.7874 7.7874 7.7882 7.7882 8.2512 8.2512 8.2629 8.2629 9.9050 9.9050 9.9295 9.9295 10.7269 10.7269 10.7516 10.7516 11.8191 11.8191 k = 0.5000-0.0000 0.6124 ( 3316 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7687 -13.7687 -13.7524 -13.7524 -12.4869 -12.4869 -12.3228 -12.3228 -12.2950 -12.2950 -12.1468 -12.1468 2.3792 2.3792 2.3964 2.3964 4.8970 4.8970 4.9312 4.9312 7.7874 7.7874 7.7882 7.7882 8.2512 8.2512 8.2629 8.2629 9.9050 9.9050 9.9295 9.9295 10.7269 10.7269 10.7516 10.7516 11.8191 11.8191 k = 0.5000 0.0100 0.5983 ( 3316 PWs) bands (ev): -32.6934 -32.6934 -32.6910 -32.6910 -13.7692 -13.7692 -13.7519 -13.7519 -12.4869 -12.4869 -12.3228 -12.3228 -12.2951 -12.2951 -12.1468 -12.1468 2.3426 2.3426 2.4328 2.4328 4.8630 4.8630 4.9677 4.9677 7.7510 7.7510 7.8199 7.8199 8.2330 8.2330 8.2866 8.2866 9.8489 9.8489 9.9863 9.9863 10.7245 10.7245 10.7497 10.7497 11.7631 11.7631 k = 0.5000 0.0199 0.5842 ( 3312 PWs) bands (ev): -32.6946 -32.6946 -32.6898 -32.6898 -13.7706 -13.7706 -13.7504 -13.7504 -12.4870 -12.4870 -12.3227 -12.3227 -12.2952 -12.2952 -12.1468 -12.1468 2.2988 2.2988 2.4762 2.4762 4.8192 4.8192 5.0189 5.0189 7.7120 7.7120 7.8440 7.8440 8.2176 8.2176 8.3187 8.3187 9.7834 9.7834 10.0537 10.0537 10.7173 10.7173 10.7440 10.7440 11.7048 11.7048 k = 0.5000 0.0299 0.5701 ( 3322 PWs) bands (ev): -32.6958 -32.6958 -32.6886 -32.6886 -13.7725 -13.7725 -13.7484 -13.7484 -12.4871 -12.4871 -12.3226 -12.3226 -12.2953 -12.2953 -12.1467 -12.1467 2.2551 2.2551 2.5190 2.5190 4.7781 4.7781 5.0723 5.0723 7.6729 7.6729 7.8566 7.8566 8.2122 8.2122 8.3534 8.3534 9.7193 9.7193 10.1206 10.1206 10.7058 10.7058 10.7352 10.7352 11.6501 11.6501 k = 0.5000 0.0398 0.5561 ( 3322 PWs) bands (ev): -32.6970 -32.6970 -32.6875 -32.6875 -13.7747 -13.7747 -13.7460 -13.7460 -12.4872 -12.4872 -12.3224 -12.3224 -12.2955 -12.2955 -12.1466 -12.1466 2.2120 2.2120 2.5607 2.5607 4.7412 4.7412 5.1266 5.1266 7.6351 7.6351 7.8558 7.8558 8.2174 8.2174 8.3897 8.3897 9.6577 9.6577 10.1857 10.1857 10.6905 10.6905 10.7242 10.7242 11.5996 11.5996 k = 0.5000 0.0498 0.5420 ( 3320 PWs) bands (ev): -32.6982 -32.6982 -32.6863 -32.6863 -13.7771 -13.7771 -13.7434 -13.7434 -12.4874 -12.4874 -12.3223 -12.3223 -12.2957 -12.2957 -12.1466 -12.1466 2.1697 2.1697 2.6008 2.6008 4.7090 4.7090 5.1812 5.1812 7.5995 7.5995 7.8423 7.8423 8.2312 8.2312 8.4271 8.4271 9.5995 9.5995 10.2466 10.2466 10.6725 10.6725 10.7130 10.7130 11.5539 11.5539 k = 0.5000 0.0597 0.5279 ( 3320 PWs) bands (ev): -32.6993 -32.6993 -32.6851 -32.6851 -13.7795 -13.7795 -13.7407 -13.7407 -12.4875 -12.4875 -12.3223 -12.3223 -12.2958 -12.2958 -12.1465 -12.1465 2.1283 2.1283 2.6388 2.6388 4.6823 4.6823 5.2353 5.2353 7.5671 7.5671 7.8185 7.8185 8.2494 8.2494 8.4651 8.4651 9.5457 9.5457 10.2999 10.2999 10.6530 10.6530 10.7051 10.7051 11.5131 11.5131 k = 0.5000 0.0697 0.5138 ( 3320 PWs) bands (ev): -32.7004 -32.7004 -32.6840 -32.6840 -13.7819 -13.7819 -13.7380 -13.7380 -12.4877 -12.4877 -12.3224 -12.3224 -12.2957 -12.2957 -12.1463 -12.1463 2.0881 2.0881 2.6744 2.6744 4.6618 4.6618 5.2884 5.2884 7.5385 7.5385 7.7870 7.7870 8.2672 8.2672 8.5034 8.5034 9.4977 9.4977 10.3398 10.3398 10.6332 10.6332 10.7062 10.7062 11.4775 11.4775 k = 0.5000 0.0796 0.4998 ( 3322 PWs) bands (ev): -32.7016 -32.7016 -32.6829 -32.6829 -13.7843 -13.7843 -13.7352 -13.7352 -12.4879 -12.4879 -12.3226 -12.3226 -12.2956 -12.2956 -12.1462 -12.1462 2.0490 2.0490 2.7070 2.7070 4.6480 4.6480 5.3400 5.3400 7.5145 7.5145 7.7496 7.7496 8.2809 8.2809 8.5420 8.5420 9.4566 9.4566 10.3603 10.3603 10.6147 10.6147 10.7229 10.7229 11.4470 11.4470 k = 0.5000 0.0896 0.4857 ( 3316 PWs) bands (ev): -32.7026 -32.7026 -32.6818 -32.6818 -13.7867 -13.7867 -13.7325 -13.7325 -12.4881 -12.4881 -12.3231 -12.3231 -12.2952 -12.2952 -12.1461 -12.1461 2.0114 2.0114 2.7364 2.7364 4.6414 4.6414 5.3894 5.3894 7.4953 7.4953 7.7075 7.7075 8.2875 8.2875 8.5806 8.5806 9.4237 9.4237 10.3586 10.3586 10.5988 10.5988 10.7580 10.7580 11.4216 11.4216 k = 0.5000 0.0995 0.4716 ( 3316 PWs) bands (ev): -32.7037 -32.7037 -32.6808 -32.6808 -13.7889 -13.7889 -13.7298 -13.7298 -12.4883 -12.4883 -12.3238 -12.3238 -12.2946 -12.2946 -12.1460 -12.1460 1.9752 1.9752 2.7622 2.7622 4.6424 4.6424 5.4361 5.4361 7.4814 7.4814 7.6612 7.6612 8.2850 8.2850 8.6191 8.6191 9.3996 9.3996 10.3382 10.3382 10.5874 10.5874 10.8083 10.8083 11.4010 11.4010 k = 0.5000 0.1095 0.4575 ( 3320 PWs) bands (ev): -32.7047 -32.7047 -32.6797 -32.6797 -13.7912 -13.7912 -13.7271 -13.7271 -12.4885 -12.4885 -12.3247 -12.3247 -12.2938 -12.2938 -12.1459 -12.1459 1.9405 1.9405 2.7841 2.7841 4.6514 4.6514 5.4798 5.4798 7.4730 7.4730 7.6108 7.6108 8.2729 8.2729 8.6574 8.6574 9.3842 9.3842 10.3046 10.3046 10.5820 10.5820 10.8686 10.8686 11.3849 11.3849 k = 0.5000 0.1195 0.4434 ( 3322 PWs) bands (ev): -32.7057 -32.7057 -32.6788 -32.6788 -13.7933 -13.7933 -13.7246 -13.7246 -12.4887 -12.4887 -12.3259 -12.3259 -12.2928 -12.2928 -12.1459 -12.1459 1.9074 1.9074 2.8022 2.8022 4.6685 4.6685 5.5200 5.5200 7.4701 7.4701 7.5564 7.5564 8.2516 8.2516 8.6954 8.6954 9.3764 9.3764 10.2620 10.2620 10.5842 10.5842 10.9345 10.9345 11.3729 11.3729 k = 0.5000 0.1294 0.4294 ( 3318 PWs) bands (ev): -32.7066 -32.7066 -32.6778 -32.6778 -13.7953 -13.7953 -13.7220 -13.7220 -12.4888 -12.4888 -12.3272 -12.3272 -12.2916 -12.2916 -12.1458 -12.1458 1.8759 1.8759 2.8164 2.8164 4.6937 4.6937 5.5564 5.5564 7.4697 7.4697 7.5007 7.5007 8.2226 8.2226 8.7330 8.7330 9.3747 9.3747 10.2135 10.2135 10.5950 10.5950 11.0031 11.0031 11.3647 11.3647 k = 0.5000 0.1394 0.4153 ( 3316 PWs) bands (ev): -32.7075 -32.7075 -32.6769 -32.6769 -13.7972 -13.7972 -13.7196 -13.7196 -12.4889 -12.4889 -12.3288 -12.3288 -12.2902 -12.2902 -12.1458 -12.1458 1.8462 1.8462 2.8268 2.8268 4.7269 4.7269 5.5889 5.5889 7.4277 7.4277 7.4871 7.4871 8.1881 8.1881 8.7703 8.7703 9.3770 9.3770 10.1608 10.1608 10.6153 10.6153 11.0724 11.0724 11.3598 11.3598 k = 0.5000 0.1493 0.4012 ( 3318 PWs) bands (ev): -32.7084 -32.7084 -32.6761 -32.6761 -13.7990 -13.7990 -13.7173 -13.7173 -12.4890 -12.4890 -12.3304 -12.3304 -12.2887 -12.2887 -12.1457 -12.1457 1.8183 1.8183 2.8339 2.8339 4.7679 4.7679 5.6174 5.6174 7.3592 7.3592 7.5004 7.5004 8.1502 8.1502 8.8071 8.8071 9.3815 9.3815 10.1053 10.1053 10.6454 10.6454 11.1409 11.1409 11.3578 11.3578 k = 0.5000 0.1593 0.3871 ( 3318 PWs) bands (ev): -32.7092 -32.7092 -32.6752 -32.6752 -13.8007 -13.8007 -13.7151 -13.7151 -12.4891 -12.4891 -12.3321 -12.3321 -12.2872 -12.2872 -12.1458 -12.1458 1.7921 1.7921 2.8379 2.8379 4.8163 4.8163 5.6420 5.6420 7.2841 7.2841 7.5197 7.5197 8.1111 8.1111 8.8434 8.8434 9.3867 9.3867 10.0479 10.0479 10.6853 10.6853 11.2074 11.2074 11.3586 11.3586 k = 0.5000 0.1692 0.3731 ( 3310 PWs) bands (ev): -32.7099 -32.7099 -32.6745 -32.6745 -13.8023 -13.8023 -13.7130 -13.7130 -12.4891 -12.4891 -12.3338 -12.3338 -12.2856 -12.2856 -12.1458 -12.1458 1.7678 1.7678 2.8393 2.8393 4.8716 4.8716 5.6629 5.6629 7.2033 7.2033 7.5436 7.5436 8.0724 8.0724 8.8792 8.8792 9.3915 9.3915 9.9891 9.9891 10.7343 10.7343 11.2705 11.2705 11.3619 11.3619 k = 0.5000 0.1792 0.3590 ( 3318 PWs) bands (ev): -32.7106 -32.7106 -32.6738 -32.6738 -13.8038 -13.8038 -13.7111 -13.7111 -12.4892 -12.4892 -12.3356 -12.3356 -12.2841 -12.2841 -12.1458 -12.1458 1.7453 1.7453 2.8385 2.8385 4.9333 4.9333 5.6802 5.6802 7.1174 7.1174 7.5713 7.5713 8.0354 8.0354 8.9145 8.9145 9.3952 9.3952 9.9297 9.9297 10.7916 10.7916 11.3279 11.3279 11.3687 11.3687 k = 0.5000 0.1891 0.3449 ( 3314 PWs) bands (ev): -32.7113 -32.7113 -32.6731 -32.6731 -13.8052 -13.8052 -13.7093 -13.7093 -12.4892 -12.4892 -12.3373 -12.3373 -12.2825 -12.2825 -12.1459 -12.1459 1.7247 1.7247 2.8361 2.8361 5.0008 5.0008 5.6944 5.6944 7.0269 7.0269 7.6019 7.6019 8.0011 8.0011 8.9493 8.9493 9.3976 9.3976 9.8701 9.8701 10.8558 10.8558 11.3638 11.3638 11.3936 11.3936 k = 0.5000 0.1991 0.3308 ( 3310 PWs) bands (ev): -32.7119 -32.7119 -32.6725 -32.6725 -13.8064 -13.8064 -13.7076 -13.7076 -12.4891 -12.4891 -12.3389 -12.3389 -12.2810 -12.2810 -12.1459 -12.1459 1.7060 1.7060 2.8325 2.8325 5.0735 5.0735 5.7057 5.7057 6.9324 6.9324 7.6342 7.6342 7.9700 7.9700 8.9837 8.9837 9.3987 9.3987 9.8108 9.8108 10.9254 10.9254 11.3746 11.3746 11.4391 11.4391 k = 0.5000 0.2090 0.3167 ( 3312 PWs) bands (ev): -32.7124 -32.7124 -32.6720 -32.6720 -13.8075 -13.8075 -13.7061 -13.7061 -12.4891 -12.4891 -12.3405 -12.3405 -12.2796 -12.2796 -12.1460 -12.1460 1.6892 1.6892 2.8280 2.8280 5.1508 5.1508 5.7147 5.7147 6.8347 6.8347 7.6674 7.6674 7.9423 7.9423 9.0178 9.0178 9.3988 9.3988 9.7521 9.7521 10.9986 10.9986 11.3829 11.3829 11.4818 11.4818 k = 0.5000 0.2190 0.3027 ( 3310 PWs) bands (ev): -32.7129 -32.7129 -32.6715 -32.6715 -13.8085 -13.8085 -13.7048 -13.7048 -12.4890 -12.4890 -12.3419 -12.3419 -12.2783 -12.2783 -12.1461 -12.1461 1.6744 1.6744 2.8232 2.8232 5.2320 5.2320 5.7216 5.7216 6.7349 6.7349 7.7001 7.7001 7.9182 7.9182 9.0516 9.0516 9.3980 9.3980 9.6945 9.6945 11.0733 11.0733 11.3911 11.3911 11.5186 11.5186 k = 0.5000 0.2289 0.2886 ( 3320 PWs) bands (ev): -32.7133 -32.7133 -32.6711 -32.6711 -13.8094 -13.8094 -13.7036 -13.7036 -12.4890 -12.4890 -12.3433 -12.3433 -12.2771 -12.2771 -12.1462 -12.1462 1.6616 1.6616 2.8184 2.8184 5.3163 5.3163 5.7268 5.7268 6.6339 6.6339 7.7312 7.7312 7.8978 7.8978 9.0854 9.0854 9.3967 9.3967 9.6386 9.6386 11.1474 11.1474 11.3991 11.3991 11.5493 11.5493 k = 0.5000 0.2389 0.2745 ( 3320 PWs) bands (ev): -32.7137 -32.7137 -32.6707 -32.6707 -13.8101 -13.8101 -13.7026 -13.7026 -12.4889 -12.4889 -12.3444 -12.3444 -12.2761 -12.2761 -12.1463 -12.1463 1.6507 1.6507 2.8138 2.8138 5.4027 5.4027 5.7306 5.7306 6.5330 6.5330 7.7595 7.7595 7.8813 7.8813 9.1193 9.1193 9.3949 9.3949 9.5847 9.5847 11.2180 11.2180 11.4069 11.4069 11.5741 11.5741 k = 0.5000 0.2489 0.2604 ( 3320 PWs) bands (ev): -32.7140 -32.7140 -32.6704 -32.6704 -13.8107 -13.8107 -13.7018 -13.7018 -12.4888 -12.4888 -12.3454 -12.3454 -12.2752 -12.2752 -12.1464 -12.1464 1.6417 1.6417 2.8097 2.8097 5.4896 5.4896 5.7334 5.7334 6.4338 6.4338 7.7834 7.7834 7.8689 7.8689 9.1532 9.1532 9.3928 9.3928 9.5336 9.5336 11.2820 11.2820 11.4145 11.4145 11.5934 11.5934 k = 0.5000 0.2588 0.2464 ( 3322 PWs) bands (ev): -32.7142 -32.7142 -32.6702 -32.6702 -13.8112 -13.8112 -13.7011 -13.7011 -12.4888 -12.4888 -12.3461 -12.3461 -12.2745 -12.2745 -12.1464 -12.1464 1.6348 1.6348 2.8064 2.8064 5.5744 5.5744 5.7353 5.7353 6.3392 6.3392 7.8013 7.8013 7.8612 7.8612 9.1869 9.1869 9.3902 9.3902 9.4866 9.4866 11.3354 11.3354 11.4224 11.4224 11.6077 11.6077 k = 0.5000 0.2688 0.2323 ( 3326 PWs) bands (ev): -32.7144 -32.7144 -32.6701 -32.6701 -13.8115 -13.8115 -13.7007 -13.7007 -12.4888 -12.4888 -12.3467 -12.3467 -12.2740 -12.2740 -12.1465 -12.1465 1.6298 1.6298 2.8038 2.8038 5.6523 5.6523 5.7367 5.7367 6.2542 6.2542 7.8119 7.8119 7.8586 7.8586 9.2194 9.2194 9.3860 9.3861 9.4464 9.4464 11.3733 11.3733 11.4318 11.4318 11.6175 11.6175 k = 0.5000 0.2787 0.2182 ( 3318 PWs) bands (ev): -32.7144 -32.7144 -32.6700 -32.6700 -13.8117 -13.8117 -13.7004 -13.7004 -12.4887 -12.4887 -12.3470 -12.3470 -12.2737 -12.2737 -12.1465 -12.1465 1.6268 1.6268 2.8023 2.8023 5.7121 5.7121 5.7381 5.7381 6.1895 6.1895 7.8161 7.8161 7.8595 7.8595 9.2469 9.2469 9.3777 9.3777 9.4199 9.4199 11.3929 11.3929 11.4423 11.4423 11.6232 11.6232 k = 0.5000 0.2887 0.2041 ( 3316 PWs) bands (ev): -32.7145 -32.7145 -32.6699 -32.6699 -13.8118 -13.8118 -13.7003 -13.7003 -12.4887 -12.4887 -12.3471 -12.3471 -12.2736 -12.2736 -12.1465 -12.1465 1.6258 1.6258 2.8018 2.8018 5.7322 5.7322 5.7425 5.7425 6.1637 6.1637 7.8171 7.8171 7.8603 7.8603 9.2593 9.2593 9.3707 9.3707 9.4120 9.4120 11.3983 11.3983 11.4472 11.4472 11.6251 11.6251 k = 0.5000 0.2887 0.2041 ( 3316 PWs) bands (ev): -32.7145 -32.7145 -32.6699 -32.6699 -13.8118 -13.8118 -13.7003 -13.7003 -12.4887 -12.4887 -12.3471 -12.3471 -12.2736 -12.2736 -12.1465 -12.1465 1.6258 1.6258 2.8018 2.8018 5.7322 5.7322 5.7425 5.7425 6.1637 6.1637 7.8171 7.8171 7.8603 7.8603 9.2593 9.2593 9.3707 9.3707 9.4120 9.4120 11.3983 11.3983 11.4472 11.4472 11.6251 11.6251 k = 0.4950 0.2858 0.2205 ( 3320 PWs) bands (ev): -32.7144 -32.7144 -32.6700 -32.6700 -13.8117 -13.8117 -13.7004 -13.7004 -12.4887 -12.4887 -12.3470 -12.3470 -12.2737 -12.2737 -12.1465 -12.1465 1.6268 1.6268 2.8023 2.8023 5.7119 5.7119 5.7381 5.7381 6.1897 6.1897 7.8161 7.8161 7.8595 7.8595 9.2468 9.2468 9.3777 9.3777 9.4199 9.4199 11.3929 11.3929 11.4422 11.4422 11.6232 11.6232 k = 0.4900 0.2829 0.2368 ( 3330 PWs) bands (ev): -32.7144 -32.7144 -32.6701 -32.6701 -13.8115 -13.8115 -13.7007 -13.7007 -12.4888 -12.4888 -12.3467 -12.3467 -12.2740 -12.2740 -12.1465 -12.1465 1.6298 1.6298 2.8039 2.8039 5.6516 5.6516 5.7367 5.7367 6.2549 6.2549 7.8118 7.8118 7.8586 7.8586 9.2191 9.2191 9.3861 9.3861 9.4467 9.4467 11.3731 11.3731 11.4317 11.4317 11.6174 11.6174 k = 0.4850 0.2800 0.2531 ( 3321 PWs) bands (ev): -32.7142 -32.7142 -32.6702 -32.6702 -13.8111 -13.8111 -13.7011 -13.7011 -12.4888 -12.4888 -12.3461 -12.3461 -12.2745 -12.2745 -12.1464 -12.1464 1.6349 1.6349 2.8064 2.8064 5.5732 5.5732 5.7355 5.7355 6.3404 6.3404 7.8011 7.8011 7.8612 7.8612 9.1864 9.1864 9.3904 9.3904 9.4871 9.4871 11.3350 11.3350 11.4220 11.4220 11.6075 11.6075 k = 0.4800 0.2771 0.2694 ( 3323 PWs) bands (ev): -32.7140 -32.7140 -32.6704 -32.6704 -13.8107 -13.8107 -13.7018 -13.7018 -12.4888 -12.4888 -12.3453 -12.3453 -12.2752 -12.2752 -12.1464 -12.1464 1.6419 1.6419 2.8098 2.8098 5.4876 5.4876 5.7340 5.7340 6.4352 6.4352 7.7834 7.7834 7.8689 7.8689 9.1523 9.1523 9.3932 9.3932 9.5344 9.5344 11.2819 11.2819 11.4132 11.4132 11.5931 11.5931 k = 0.4750 0.2742 0.2858 ( 3323 PWs) bands (ev): -32.7137 -32.7137 -32.6707 -32.6707 -13.8101 -13.8101 -13.7026 -13.7026 -12.4889 -12.4889 -12.3444 -12.3444 -12.2761 -12.2761 -12.1463 -12.1463 1.6509 1.6509 2.8139 2.8139 5.3999 5.3999 5.7321 5.7321 6.5340 6.5340 7.7601 7.7601 7.8810 7.8810 9.1176 9.1176 9.3959 9.3959 9.5857 9.5857 11.2186 11.2186 11.4038 11.4038 11.5735 11.5735 k = 0.4700 0.2714 0.3021 ( 3319 PWs) bands (ev): -32.7133 -32.7133 -32.6711 -32.6711 -13.8093 -13.8093 -13.7036 -13.7036 -12.4890 -12.4890 -12.3432 -12.3432 -12.2771 -12.2771 -12.1462 -12.1462 1.6619 1.6619 2.8185 2.8185 5.3125 5.3125 5.7299 5.7299 6.6335 6.6335 7.7338 7.7338 7.8970 7.8970 9.0824 9.0824 9.3987 9.3987 9.6398 9.6398 11.1495 11.1495 11.3929 11.3929 11.5483 11.5483 k = 0.4650 0.2685 0.3184 ( 3323 PWs) bands (ev): -32.7129 -32.7129 -32.6716 -32.6716 -13.8085 -13.8085 -13.7048 -13.7048 -12.4890 -12.4890 -12.3419 -12.3419 -12.2783 -12.2783 -12.1461 -12.1461 1.6749 1.6749 2.8234 2.8234 5.2269 5.2269 5.7273 5.7273 6.7308 6.7308 7.7068 7.7068 7.9164 7.9164 9.0463 9.0463 9.4017 9.4017 9.6960 9.6960 11.0777 11.0777 11.3799 11.3799 11.5171 11.5171 k = 0.4600 0.2656 0.3348 ( 3319 PWs) bands (ev): -32.7124 -32.7124 -32.6720 -32.6720 -13.8075 -13.8075 -13.7062 -13.7062 -12.4891 -12.4891 -12.3405 -12.3405 -12.2796 -12.2796 -12.1460 -12.1460 1.6898 1.6898 2.8282 2.8282 5.1440 5.1440 5.7245 5.7245 6.8227 6.8227 7.6825 7.6825 7.9390 7.9390 9.0088 9.0088 9.4051 9.4051 9.7538 9.7538 11.0059 11.0059 11.3646 11.3646 11.4796 11.4796 k = 0.4550 0.2627 0.3511 ( 3319 PWs) bands (ev): -32.7119 -32.7119 -32.6726 -32.6726 -13.8064 -13.8064 -13.7077 -13.7077 -12.4891 -12.4891 -12.3390 -12.3390 -12.2810 -12.2810 -12.1460 -12.1460 1.7067 1.7067 2.8326 2.8326 5.0647 5.0647 5.7214 5.7214 6.9051 6.9051 7.6653 7.6653 7.9647 7.9647 8.9692 8.9692 9.4087 9.4087 9.8126 9.8126 10.9363 10.9363 11.3466 11.3466 11.4361 11.4361 k = 0.4500 0.2598 0.3674 ( 3320 PWs) bands (ev): -32.7113 -32.7113 -32.6732 -32.6732 -13.8051 -13.8051 -13.7094 -13.7094 -12.4891 -12.4891 -12.3374 -12.3374 -12.2824 -12.2824 -12.1459 -12.1459 1.7255 1.7255 2.8361 2.8361 4.9895 4.9895 5.7182 5.7182 6.9726 6.9726 7.6609 7.6609 7.9934 7.9934 8.9271 8.9271 9.4126 9.4126 9.8720 9.8720 10.8707 10.8707 11.3257 11.3257 11.3872 11.3872 k = 0.4450 0.2569 0.3838 ( 3317 PWs) bands (ev): -32.7106 -32.7106 -32.6738 -32.6738 -13.8038 -13.8038 -13.7112 -13.7112 -12.4891 -12.4891 -12.3359 -12.3359 -12.2837 -12.2837 -12.1459 -12.1459 1.7463 1.7463 2.8384 2.8384 4.9191 4.9191 5.7148 5.7148 7.0192 7.0192 7.6756 7.6756 8.0249 8.0249 8.8821 8.8821 9.4167 9.4167 9.9313 9.9313 10.8107 10.8107 11.3008 11.3008 11.3348 11.3348 k = 0.4400 0.2540 0.4001 ( 3316 PWs) bands (ev): -32.7099 -32.7099 -32.6745 -32.6745 -13.8023 -13.8023 -13.7131 -13.7131 -12.4890 -12.4890 -12.3344 -12.3344 -12.2850 -12.2850 -12.1459 -12.1459 1.7689 1.7689 2.8389 2.8389 4.8541 4.8541 5.7113 5.7113 7.0416 7.0416 7.7128 7.7128 8.0591 8.0591 8.8336 8.8336 9.4210 9.4210 9.9896 9.9896 10.7575 10.7575 11.2656 11.2656 11.2864 11.2864 k = 0.4350 0.2511 0.4164 ( 3320 PWs) bands (ev): -32.7092 -32.7092 -32.6753 -32.6753 -13.8007 -13.8007 -13.7152 -13.7152 -12.4889 -12.4889 -12.3331 -12.3331 -12.2862 -12.2862 -12.1459 -12.1459 1.7933 1.7933 2.8371 2.8371 4.7949 4.7949 5.7078 5.7078 7.0411 7.0411 7.7714 7.7714 8.0960 8.0960 8.7818 8.7818 9.4254 9.4254 10.0462 10.0462 10.7121 10.7121 11.2118 11.2118 11.2520 11.2520 k = 0.4300 0.2483 0.4327 ( 3320 PWs) bands (ev): -32.7083 -32.7083 -32.6761 -32.6761 -13.7990 -13.7990 -13.7174 -13.7174 -12.4888 -12.4888 -12.3321 -12.3321 -12.2871 -12.2871 -12.1460 -12.1460 1.8195 1.8195 2.8325 2.8325 4.7421 4.7421 5.7043 5.7043 7.0230 7.0230 7.8460 7.8460 8.1354 8.1354 8.7266 8.7266 9.4297 9.4297 10.0997 10.0997 10.6750 10.6750 11.1537 11.1537 11.2193 11.2193 k = 0.4250 0.2454 0.4491 ( 3320 PWs) bands (ev): -32.7075 -32.7075 -32.6769 -32.6769 -13.7971 -13.7971 -13.7197 -13.7197 -12.4886 -12.4886 -12.3314 -12.3314 -12.2876 -12.2876 -12.1461 -12.1461 1.8475 1.8475 2.8246 2.8246 4.6962 4.6962 5.7009 5.7009 6.9930 6.9930 7.9305 7.9305 8.1771 8.1771 8.6687 8.6687 9.4341 9.4341 10.1489 10.1489 10.6462 10.6462 11.0973 11.0973 11.1849 11.1849 k = 0.4200 0.2425 0.4654 ( 3318 PWs) bands (ev): -32.7066 -32.7066 -32.6778 -32.6778 -13.7952 -13.7952 -13.7221 -13.7221 -12.4883 -12.4883 -12.3313 -12.3313 -12.2877 -12.2877 -12.1462 -12.1462 1.8770 1.8770 2.8131 2.8131 4.6577 4.6577 5.6977 5.6977 6.9557 6.9557 8.0192 8.0192 8.2211 8.2211 8.6093 8.6093 9.4383 9.4383 10.1924 10.1924 10.6250 10.6250 11.0462 11.0462 11.1484 11.1484 k = 0.4150 0.2396 0.4817 ( 3314 PWs) bands (ev): -32.7057 -32.7057 -32.6787 -32.6787 -13.7933 -13.7933 -13.7246 -13.7246 -12.4879 -12.4879 -12.3316 -12.3316 -12.2872 -12.2872 -12.1465 -12.1465 1.9080 1.9080 2.7976 2.7976 4.6267 4.6267 5.6947 5.6947 6.9144 6.9144 8.1065 8.1065 8.2670 8.2670 8.5510 8.5510 9.4423 9.4423 10.2293 10.2293 10.6089 10.6089 11.0043 11.0043 11.1102 11.1102 k = 0.4100 0.2367 0.4981 ( 3310 PWs) bands (ev): -32.7047 -32.7047 -32.6797 -32.6797 -13.7912 -13.7912 -13.7271 -13.7271 -12.4875 -12.4875 -12.3325 -12.3325 -12.2862 -12.2862 -12.1467 -12.1467 1.9404 1.9404 2.7779 2.7779 4.6035 4.6035 5.6919 5.6919 6.8713 6.8713 8.1832 8.1832 8.3146 8.3146 8.5011 8.5011 9.4460 9.4460 10.2595 10.2595 10.5937 10.5937 10.9762 10.9762 11.0706 11.0706 k = 0.4050 0.2338 0.5144 ( 3308 PWs) bands (ev): -32.7038 -32.7038 -32.6806 -32.6806 -13.7891 -13.7891 -13.7296 -13.7296 -12.4870 -12.4870 -12.3339 -12.3339 -12.2847 -12.2847 -12.1471 -12.1471 1.9739 1.9739 2.7543 2.7543 4.5880 4.5880 5.6895 5.6895 6.8278 6.8278 8.2287 8.2287 8.3637 8.3637 8.4788 8.4788 9.4495 9.4495 10.2838 10.2838 10.5750 10.5750 10.9654 10.9654 11.0305 11.0305 k = 0.4000 0.2309 0.5307 ( 3310 PWs) bands (ev): -32.7028 -32.7028 -32.6816 -32.6816 -13.7870 -13.7870 -13.7321 -13.7321 -12.4865 -12.4865 -12.3359 -12.3359 -12.2827 -12.2827 -12.1475 -12.1475 2.0081 2.0081 2.7269 2.7269 4.5803 4.5803 5.6874 5.6874 6.7851 6.7851 8.2191 8.2191 8.4135 8.4135 8.5074 8.5074 9.4526 9.4526 10.3036 10.3036 10.5506 10.5506 10.9690 10.9690 10.9938 10.9938 k = 0.3950 0.2281 0.5471 ( 3310 PWs) bands (ev): -32.7018 -32.7018 -32.6826 -32.6826 -13.7848 -13.7848 -13.7346 -13.7346 -12.4858 -12.4858 -12.3382 -12.3382 -12.2804 -12.2804 -12.1480 -12.1480 2.0426 2.0426 2.6965 2.6965 4.5798 4.5798 5.6858 5.6858 6.7440 6.7440 8.1695 8.1695 8.4635 8.4635 8.5708 8.5708 9.4556 9.4556 10.3204 10.3204 10.5218 10.5218 10.9435 10.9435 11.0019 11.0019 k = 0.3900 0.2252 0.5634 ( 3316 PWs) bands (ev): -32.7009 -32.7009 -32.6835 -32.6835 -13.7828 -13.7828 -13.7370 -13.7370 -12.4851 -12.4851 -12.3409 -12.3409 -12.2777 -12.2777 -12.1485 -12.1485 2.0765 2.0765 2.6639 2.6639 4.5864 4.5864 5.6848 5.6848 6.7051 6.7051 8.1039 8.1039 8.5134 8.5134 8.6442 8.6442 9.4584 9.4584 10.3351 10.3351 10.4921 10.4921 10.9036 10.9036 11.0361 11.0361 k = 0.3850 0.2223 0.5797 ( 3317 PWs) bands (ev): -32.7001 -32.7001 -32.6844 -32.6844 -13.7809 -13.7809 -13.7391 -13.7391 -12.4843 -12.4843 -12.3439 -12.3439 -12.2748 -12.2748 -12.1492 -12.1492 2.1086 2.1086 2.6309 2.6309 4.5994 4.5994 5.6842 5.6842 6.6688 6.6688 8.0321 8.0321 8.5624 8.5624 8.7170 8.7170 9.4615 9.4615 10.3477 10.3477 10.4656 10.4656 10.8638 10.8638 11.0786 11.0786 k = 0.3800 0.2194 0.5960 ( 3312 PWs) bands (ev): -32.6993 -32.6993 -32.6851 -32.6851 -13.7792 -13.7792 -13.7410 -13.7410 -12.4834 -12.4834 -12.3471 -12.3471 -12.2716 -12.2716 -12.1499 -12.1499 2.1368 2.1368 2.5998 2.5998 4.6183 4.6183 5.6843 5.6843 6.6355 6.6355 7.9577 7.9577 8.6093 8.6093 8.7846 8.7846 9.4651 9.4651 10.3566 10.3566 10.4468 10.4468 10.8252 10.8252 11.1254 11.1254 k = 0.3750 0.2165 0.6124 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1742 11.1742 k = 0.6250-0.0722 0.4082 ( 3302 PWs) bands (ev): -32.6987 -32.6987 -32.6857 -32.6857 -13.7778 -13.7778 -13.7425 -13.7425 -12.4824 -12.4824 -12.3506 -12.3506 -12.2683 -12.2683 -12.1507 -12.1507 2.1580 2.1580 2.5742 2.5742 4.6426 4.6426 5.6851 5.6851 6.6055 6.6055 7.8825 7.8825 8.6531 8.6531 8.8448 8.8448 9.4699 9.4699 10.3588 10.3588 10.4405 10.4405 10.7886 10.7886 11.1743 11.1743 k = 0.6167-0.0866 0.4082 ( 3306 PWs) bands (ev): -32.6979 -32.6979 -32.6865 -32.6865 -13.7760 -13.7760 -13.7446 -13.7446 -12.4806 -12.4806 -12.3564 -12.3564 -12.2627 -12.2627 -12.1522 -12.1522 2.1836 2.1836 2.5397 2.5397 4.6907 4.6907 5.6872 5.6872 6.5593 6.5593 7.7566 7.7566 8.7235 8.7235 8.9391 8.9391 9.4792 9.4792 10.3513 10.3513 10.4450 10.4450 10.7304 10.7304 11.2512 11.2512 k = 0.6083-0.1010 0.4082 ( 3314 PWs) bands (ev): -32.6972 -32.6972 -32.6873 -32.6873 -13.7742 -13.7742 -13.7464 -13.7464 -12.4786 -12.4786 -12.3623 -12.3623 -12.2571 -12.2571 -12.1538 -12.1538 2.2060 2.2060 2.5076 2.5076 4.7454 4.7454 5.6897 5.6897 6.5156 6.5156 7.6297 7.6297 8.7951 8.7951 9.0358 9.0358 9.4884 9.4884 10.3384 10.3384 10.4509 10.4509 10.6747 10.6747 11.3149 11.3149 k = 0.6000-0.1155 0.4082 ( 3314 PWs) bands (ev): -32.6964 -32.6964 -32.6880 -32.6880 -13.7726 -13.7726 -13.7482 -13.7482 -12.4763 -12.4763 -12.3681 -12.3681 -12.2516 -12.2516 -12.1557 -12.1557 2.2253 2.2253 2.4779 2.4779 4.8065 4.8065 5.6924 5.6924 6.4745 6.4745 7.5023 7.5023 8.8678 8.8678 9.1348 9.1348 9.4974 9.4974 10.3247 10.3247 10.4541 10.4541 10.6216 10.6216 11.3607 11.3607 k = 0.5917-0.1299 0.4082 ( 3318 PWs) bands (ev): -32.6958 -32.6958 -32.6887 -32.6887 -13.7711 -13.7711 -13.7498 -13.7498 -12.4739 -12.4739 -12.3740 -12.3740 -12.2461 -12.2461 -12.1578 -12.1578 2.2417 2.2417 2.4505 2.4505 4.8736 4.8736 5.6954 5.6954 6.4362 6.4362 7.3749 7.3749 8.9414 8.9414 9.2360 9.2360 9.5063 9.5063 10.3117 10.3117 10.4535 10.4535 10.5714 10.5714 11.3840 11.3840 k = 0.5833-0.1443 0.4082 ( 3322 PWs) bands (ev): -32.6952 -32.6952 -32.6893 -32.6893 -13.7696 -13.7696 -13.7513 -13.7513 -12.4712 -12.4712 -12.3798 -12.3798 -12.2407 -12.2407 -12.1600 -12.1600 2.2556 2.2556 2.4254 2.4254 4.9462 4.9462 5.6985 5.6985 6.4008 6.4008 7.2478 7.2478 9.0156 9.0156 9.3393 9.3393 9.5152 9.5152 10.3002 10.3002 10.4492 10.4492 10.5244 10.5244 11.3373 11.3373 k = 0.5750-0.1588 0.4082 ( 3324 PWs) bands (ev): -32.6946 -32.6946 -32.6898 -32.6898 -13.7683 -13.7683 -13.7527 -13.7527 -12.4683 -12.4683 -12.3855 -12.3855 -12.2354 -12.2354 -12.1625 -12.1625 2.2672 2.2672 2.4028 2.4028 5.0239 5.0239 5.7016 5.7016 6.3685 6.3685 7.1214 7.1214 9.0901 9.0901 9.4446 9.4446 9.5240 9.5240 10.2905 10.2905 10.4412 10.4412 10.4812 10.4812 11.2282 11.2282 k = 0.5667-0.1732 0.4082 ( 3316 PWs) bands (ev): -32.6941 -32.6941 -32.6903 -32.6903 -13.7671 -13.7671 -13.7540 -13.7540 -12.4652 -12.4652 -12.3912 -12.3912 -12.2302 -12.2302 -12.1651 -12.1651 2.2768 2.2768 2.3825 2.3825 5.1060 5.1060 5.7046 5.7046 6.3393 6.3393 6.9962 6.9962 9.1643 9.1643 9.5324 9.5324 9.5519 9.5519 10.2826 10.2826 10.4269 10.4269 10.4453 10.4453 11.1227 11.1227 k = 0.5583-0.1876 0.4082 ( 3316 PWs) bands (ev): -32.6937 -32.6937 -32.6908 -32.6908 -13.7659 -13.7659 -13.7551 -13.7551 -12.4619 -12.4619 -12.3969 -12.3969 -12.2250 -12.2250 -12.1679 -12.1679 2.2846 2.2846 2.3646 2.3646 5.1920 5.1920 5.7075 5.7075 6.3133 6.3133 6.8727 6.8727 9.2375 9.2375 9.5407 9.5407 9.6607 9.6607 10.2766 10.2766 10.3981 10.3981 10.4261 10.4261 11.0217 11.0217 k = 0.5500-0.2021 0.4082 ( 3312 PWs) bands (ev): -32.6933 -32.6933 -32.6912 -32.6912 -13.7649 -13.7649 -13.7561 -13.7561 -12.4584 -12.4584 -12.4024 -12.4024 -12.2200 -12.2200 -12.1709 -12.1709 2.2908 2.2908 2.3490 2.3490 5.2810 5.2810 5.7102 5.7102 6.2907 6.2907 6.7515 6.7515 9.3087 9.3087 9.5485 9.5485 9.7710 9.7710 10.2724 10.2724 10.3665 10.3665 10.4128 10.4128 10.9262 10.9262 k = 0.5417-0.2165 0.4082 ( 3320 PWs) bands (ev): -32.6930 -32.6930 -32.6915 -32.6915 -13.7640 -13.7640 -13.7571 -13.7571 -12.4546 -12.4546 -12.4078 -12.4078 -12.2151 -12.2151 -12.1741 -12.1741 2.2957 2.2957 2.3359 2.3359 5.3720 5.3720 5.7125 5.7125 6.2714 6.2714 6.6335 6.6335 9.3765 9.3765 9.5557 9.5557 9.8823 9.8823 10.2699 10.2699 10.3383 10.3383 10.4002 10.4002 10.8377 10.8377 k = 0.5333-0.2309 0.4082 ( 3316 PWs) bands (ev): -32.6927 -32.6927 -32.6918 -32.6918 -13.7632 -13.7632 -13.7579 -13.7579 -12.4507 -12.4507 -12.4132 -12.4132 -12.2103 -12.2103 -12.1774 -12.1774 2.2995 2.2995 2.3251 2.3251 5.4632 5.4632 5.7146 5.7146 6.2556 6.2556 6.5205 6.5205 9.4390 9.4390 9.5620 9.5620 9.9942 9.9942 10.2689 10.2689 10.3145 10.3145 10.3884 10.3884 10.7582 10.7582 k = 0.5250-0.2454 0.4082 ( 3320 PWs) bands (ev): -32.6925 -32.6925 -32.6920 -32.6920 -13.7625 -13.7625 -13.7586 -13.7586 -12.4466 -12.4466 -12.4184 -12.4184 -12.2057 -12.2057 -12.1810 -12.1810 2.3023 2.3023 2.3168 2.3168 5.5517 5.5517 5.7162 5.7162 6.2433 6.2433 6.4150 6.4150 9.4935 9.4935 9.5672 9.5672 10.1054 10.1054 10.2690 10.2690 10.2956 10.2956 10.3781 10.3781 10.6905 10.6905 k = 0.5167-0.2598 0.4082 ( 3314 PWs) bands (ev): -32.6923 -32.6923 -32.6921 -32.6921 -13.7618 -13.7618 -13.7593 -13.7593 -12.4423 -12.4423 -12.4235 -12.4235 -12.2012 -12.2012 -12.1847 -12.1847 2.3042 2.3042 2.3108 2.3108 5.6321 5.6321 5.7174 5.7174 6.2344 6.2344 6.3227 6.3227 9.5366 9.5366 9.5711 9.5711 10.2125 10.2125 10.2703 10.2703 10.2823 10.2823 10.3698 10.3698 10.6380 10.6380 k = 0.5083-0.2742 0.4082 ( 3306 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7611 -13.7611 -13.7599 -13.7599 -12.4378 -12.4378 -12.4284 -12.4284 -12.1968 -12.1968 -12.1886 -12.1886 2.3053 2.3053 2.3072 2.3072 5.6932 5.6932 5.7181 5.7181 6.2291 6.2291 6.2544 6.2544 9.5646 9.5646 9.5735 9.5735 10.2678 10.2678 10.2721 10.2721 10.3143 10.3143 10.3645 10.3645 10.6043 10.6043 k = 0.5000-0.2887 0.4082 ( 3306 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -13.7605 -13.7605 -13.7605 -13.7605 -12.4332 -12.4332 -12.4332 -12.4332 -12.1926 -12.1926 -12.1926 -12.1926 2.3058 2.3058 2.3058 2.3058 5.7178 5.7178 5.7178 5.7178 6.2276 6.2276 6.2276 6.2276 9.5743 9.5743 9.5743 9.5743 10.2694 10.2694 10.2694 10.2694 10.3623 10.3623 10.3623 10.3623 10.5932 10.5932 Writing output data file YAl2.save init_run : 0.22s CPU 0.34s WALL ( 1 calls) electrons : 116.19s CPU 117.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 116.19s CPU 117.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s 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 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 274 calls) cegterg : 100.26s CPU 101.49s WALL ( 365 calls) Called by sum_band: Called by *egterg: h_psi : 68.25s CPU 69.18s WALL ( 6110 calls) s_psi : 5.21s CPU 5.17s WALL ( 6110 calls) g_psi : 0.14s CPU 0.12s WALL ( 5471 calls) cdiaghg : 32.59s CPU 32.91s WALL ( 5745 calls) cegterg:over : 2.64s CPU 2.80s WALL ( 5471 calls) cegterg:upda : 2.30s CPU 2.36s WALL ( 5471 calls) cegterg:last : 1.19s CPU 1.19s WALL ( 922 calls) cdiaghg:chol : 1.93s CPU 1.81s WALL ( 5745 calls) cdiaghg:inve : 1.08s CPU 1.04s WALL ( 5745 calls) cdiaghg:para : 1.77s CPU 1.88s WALL ( 11490 calls) Called by h_psi: h_psi:vloc : 57.46s CPU 58.44s WALL ( 6110 calls) h_psi:vnl : 10.66s CPU 10.64s WALL ( 6110 calls) add_vuspsi : 6.13s CPU 6.13s WALL ( 6110 calls) General routines calbec : 4.51s CPU 4.49s WALL ( 6110 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 54.13s CPU 55.05s WALL ( 549148 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 548 calls) Parallel routines fft_scatter : 16.87s CPU 17.30s WALL ( 549171 calls) PWSCF : 2m 6.32s CPU 2m21.32s WALL This run was terminated on: 18:34:42 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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