Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:17:34 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: ./H6PdxNOx4.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 114 49 14 6263 1772 271 Max 115 50 15 6267 1797 274 Sum 4135 1785 513 225531 64213 9781 bravais-lattice index = 14 lattice parameter (alat) = 9.4543 a.u. unit-cell volume = 1049.6494 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 4 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.454299 celldm(2)= 1.083150 celldm(3)= 1.262642 celldm(4)= -0.023385 celldm(5)= -0.372826 celldm(6)= -0.180176 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.195157 1.065424 0.000000 ) a(3) = ( -0.470746 -0.116247 1.165826 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.183174 0.422052 ) b(2) = ( 0.000000 0.938594 0.093589 ) b(3) = ( 0.000000 0.000000 0.857761 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Pd 18.00 106.42000 Pd( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4692968 -0.0467944), wk = 0.0038023 k( 2) = ( 0.0000000 -0.4536536 -0.0452346), wk = 0.0038023 k( 3) = ( 0.0000000 -0.4380104 -0.0436748), wk = 0.0038023 k( 4) = ( 0.0000000 -0.4223672 -0.0421150), wk = 0.0038023 k( 5) = ( 0.0000000 -0.4067239 -0.0405552), wk = 0.0038023 k( 6) = ( 0.0000000 -0.3910807 -0.0389954), wk = 0.0038023 k( 7) = ( 0.0000000 -0.3754375 -0.0374356), wk = 0.0038023 k( 8) = ( 0.0000000 -0.3597942 -0.0358757), wk = 0.0038023 k( 9) = ( 0.0000000 -0.3441510 -0.0343159), wk = 0.0038023 k( 10) = ( 0.0000000 -0.3285078 -0.0327561), wk = 0.0038023 k( 11) = ( 0.0000000 -0.3128646 -0.0311963), wk = 0.0038023 k( 12) = ( 0.0000000 -0.2972213 -0.0296365), wk = 0.0038023 k( 13) = ( 0.0000000 -0.2815781 -0.0280767), wk = 0.0038023 k( 14) = ( 0.0000000 -0.2659349 -0.0265169), wk = 0.0038023 k( 15) = ( 0.0000000 -0.2502917 -0.0249570), wk = 0.0038023 k( 16) = ( 0.0000000 -0.2346484 -0.0233972), wk = 0.0038023 k( 17) = ( 0.0000000 -0.2190052 -0.0218374), wk = 0.0038023 k( 18) = ( 0.0000000 -0.2033620 -0.0202776), wk = 0.0038023 k( 19) = ( 0.0000000 -0.1877187 -0.0187178), wk = 0.0038023 k( 20) = ( 0.0000000 -0.1720755 -0.0171580), wk = 0.0038023 k( 21) = ( 0.0000000 -0.1564323 -0.0155981), wk = 0.0038023 k( 22) = ( 0.0000000 -0.1407891 -0.0140383), wk = 0.0038023 k( 23) = ( 0.0000000 -0.1251458 -0.0124785), wk = 0.0038023 k( 24) = ( 0.0000000 -0.1095026 -0.0109187), wk = 0.0038023 k( 25) = ( 0.0000000 -0.0938594 -0.0093589), wk = 0.0038023 k( 26) = ( 0.0000000 -0.0782161 -0.0077991), wk = 0.0038023 k( 27) = ( 0.0000000 -0.0625729 -0.0062393), wk = 0.0038023 k( 28) = ( 0.0000000 -0.0469297 -0.0046794), wk = 0.0038023 k( 29) = ( 0.0000000 -0.0312865 -0.0031196), wk = 0.0038023 k( 30) = ( 0.0000000 -0.0156432 -0.0015598), wk = 0.0038023 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 33) = ( 0.0142857 0.0026168 0.0060293), wk = 0.0038023 k( 34) = ( 0.0285714 0.0052335 0.0120586), wk = 0.0038023 k( 35) = ( 0.0428571 0.0078503 0.0180879), wk = 0.0038023 k( 36) = ( 0.0571429 0.0104671 0.0241172), wk = 0.0038023 k( 37) = ( 0.0714286 0.0130838 0.0301466), wk = 0.0038023 k( 38) = ( 0.0857143 0.0157006 0.0361759), wk = 0.0038023 k( 39) = ( 0.1000000 0.0183174 0.0422052), wk = 0.0038023 k( 40) = ( 0.1142857 0.0209341 0.0482345), wk = 0.0038023 k( 41) = ( 0.1285714 0.0235509 0.0542638), wk = 0.0038023 k( 42) = ( 0.1428571 0.0261676 0.0602931), wk = 0.0038023 k( 43) = ( 0.1571429 0.0287844 0.0663224), wk = 0.0038023 k( 44) = ( 0.1714286 0.0314012 0.0723517), wk = 0.0038023 k( 45) = ( 0.1857143 0.0340179 0.0783810), wk = 0.0038023 k( 46) = ( 0.2000000 0.0366347 0.0844103), wk = 0.0038023 k( 47) = ( 0.2142857 0.0392515 0.0904397), wk = 0.0038023 k( 48) = ( 0.2285714 0.0418682 0.0964690), wk = 0.0038023 k( 49) = ( 0.2428571 0.0444850 0.1024983), wk = 0.0038023 k( 50) = ( 0.2571429 0.0471018 0.1085276), wk = 0.0038023 k( 51) = ( 0.2714286 0.0497185 0.1145569), wk = 0.0038023 k( 52) = ( 0.2857143 0.0523353 0.1205862), wk = 0.0038023 k( 53) = ( 0.3000000 0.0549521 0.1266155), wk = 0.0038023 k( 54) = ( 0.3142857 0.0575688 0.1326448), wk = 0.0038023 k( 55) = ( 0.3285714 0.0601856 0.1386741), wk = 0.0038023 k( 56) = ( 0.3428571 0.0628024 0.1447035), wk = 0.0038023 k( 57) = ( 0.3571429 0.0654191 0.1507328), wk = 0.0038023 k( 58) = ( 0.3714286 0.0680359 0.1567621), wk = 0.0038023 k( 59) = ( 0.3857143 0.0706527 0.1627914), wk = 0.0038023 k( 60) = ( 0.4000000 0.0732694 0.1688207), wk = 0.0038023 k( 61) = ( 0.4142857 0.0758862 0.1748500), wk = 0.0038023 k( 62) = ( 0.4285714 0.0785029 0.1808793), wk = 0.0038023 k( 63) = ( 0.4428571 0.0811197 0.1869086), wk = 0.0038023 k( 64) = ( 0.4571429 0.0837365 0.1929379), wk = 0.0038023 k( 65) = ( 0.4714286 0.0863532 0.1989672), wk = 0.0038023 k( 66) = ( 0.4857143 0.0889700 0.2049966), wk = 0.0038023 k( 67) = ( 0.5000000 0.0915868 0.2110259), wk = 0.0038023 k( 68) = ( 0.5000000 -0.3777101 0.1642314), wk = 0.0038023 k( 69) = ( 0.4878049 -0.3684976 0.1602258), wk = 0.0038023 k( 70) = ( 0.4756098 -0.3592852 0.1562201), wk = 0.0038023 k( 71) = ( 0.4634146 -0.3500728 0.1522145), wk = 0.0038023 k( 72) = ( 0.4512195 -0.3408603 0.1482088), wk = 0.0038023 k( 73) = ( 0.4390244 -0.3316479 0.1442032), wk = 0.0038023 k( 74) = ( 0.4268293 -0.3224354 0.1401976), wk = 0.0038023 k( 75) = ( 0.4146341 -0.3132230 0.1361919), wk = 0.0038023 k( 76) = ( 0.4024390 -0.3040105 0.1321863), wk = 0.0038023 k( 77) = ( 0.3902439 -0.2947981 0.1281806), wk = 0.0038023 k( 78) = ( 0.3780488 -0.2855857 0.1241750), wk = 0.0038023 k( 79) = ( 0.3658537 -0.2763732 0.1201693), wk = 0.0038023 k( 80) = ( 0.3536585 -0.2671608 0.1161637), wk = 0.0038023 k( 81) = ( 0.3414634 -0.2579483 0.1121580), wk = 0.0038023 k( 82) = ( 0.3292683 -0.2487359 0.1081524), wk = 0.0038023 k( 83) = ( 0.3170732 -0.2395235 0.1041468), wk = 0.0038023 k( 84) = ( 0.3048781 -0.2303110 0.1001411), wk = 0.0038023 k( 85) = ( 0.2926829 -0.2210986 0.0961355), wk = 0.0038023 k( 86) = ( 0.2804878 -0.2118861 0.0921298), wk = 0.0038023 k( 87) = ( 0.2682927 -0.2026737 0.0881242), wk = 0.0038023 k( 88) = ( 0.2560976 -0.1934613 0.0841185), wk = 0.0038023 k( 89) = ( 0.2439024 -0.1842488 0.0801129), wk = 0.0038023 k( 90) = ( 0.2317073 -0.1750364 0.0761072), wk = 0.0038023 k( 91) = ( 0.2195122 -0.1658239 0.0721016), wk = 0.0038023 k( 92) = ( 0.2073171 -0.1566115 0.0680960), wk = 0.0038023 k( 93) = ( 0.1951219 -0.1473991 0.0640903), wk = 0.0038023 k( 94) = ( 0.1829268 -0.1381866 0.0600847), wk = 0.0038023 k( 95) = ( 0.1707317 -0.1289742 0.0560790), wk = 0.0038023 k( 96) = ( 0.1585366 -0.1197617 0.0520734), wk = 0.0038023 k( 97) = ( 0.1463415 -0.1105493 0.0480677), wk = 0.0038023 k( 98) = ( 0.1341463 -0.1013368 0.0440621), wk = 0.0038023 k( 99) = ( 0.1219512 -0.0921244 0.0400564), wk = 0.0038023 k( 100) = ( 0.1097561 -0.0829120 0.0360508), wk = 0.0038023 k( 101) = ( 0.0975610 -0.0736995 0.0320452), wk = 0.0038023 k( 102) = ( 0.0853658 -0.0644871 0.0280395), wk = 0.0038023 k( 103) = ( 0.0731707 -0.0552746 0.0240339), wk = 0.0038023 k( 104) = ( 0.0609756 -0.0460622 0.0200282), wk = 0.0038023 k( 105) = ( 0.0487805 -0.0368498 0.0160226), wk = 0.0038023 k( 106) = ( 0.0365854 -0.0276373 0.0120169), wk = 0.0038023 k( 107) = ( 0.0243902 -0.0184249 0.0080113), wk = 0.0038023 k( 108) = ( 0.0121951 -0.0092124 0.0040056), wk = 0.0038023 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 111) = ( -0.0142857 -0.0026168 0.0062244), wk = 0.0038023 k( 112) = ( -0.0285714 -0.0052335 0.0124488), wk = 0.0038023 k( 113) = ( -0.0428571 -0.0078503 0.0186732), wk = 0.0038023 k( 114) = ( -0.0571429 -0.0104671 0.0248977), wk = 0.0038023 k( 115) = ( -0.0714286 -0.0130838 0.0311221), wk = 0.0038023 k( 116) = ( -0.0857143 -0.0157006 0.0373465), wk = 0.0038023 k( 117) = ( -0.1000000 -0.0183174 0.0435709), wk = 0.0038023 k( 118) = ( -0.1142857 -0.0209341 0.0497953), wk = 0.0038023 k( 119) = ( -0.1285714 -0.0235509 0.0560197), wk = 0.0038023 k( 120) = ( -0.1428571 -0.0261676 0.0622441), wk = 0.0038023 k( 121) = ( -0.1571429 -0.0287844 0.0684686), wk = 0.0038023 k( 122) = ( -0.1714286 -0.0314012 0.0746930), wk = 0.0038023 k( 123) = ( -0.1857143 -0.0340179 0.0809174), wk = 0.0038023 k( 124) = ( -0.2000000 -0.0366347 0.0871418), wk = 0.0038023 k( 125) = ( -0.2142857 -0.0392515 0.0933662), wk = 0.0038023 k( 126) = ( -0.2285714 -0.0418682 0.0995906), wk = 0.0038023 k( 127) = ( -0.2428571 -0.0444850 0.1058150), wk = 0.0038023 k( 128) = ( -0.2571429 -0.0471018 0.1120394), wk = 0.0038023 k( 129) = ( -0.2714286 -0.0497185 0.1182639), wk = 0.0038023 k( 130) = ( -0.2857143 -0.0523353 0.1244883), wk = 0.0038023 k( 131) = ( -0.3000000 -0.0549521 0.1307127), wk = 0.0038023 k( 132) = ( -0.3142857 -0.0575688 0.1369371), wk = 0.0038023 k( 133) = ( -0.3285714 -0.0601856 0.1431615), wk = 0.0038023 k( 134) = ( -0.3428571 -0.0628024 0.1493859), wk = 0.0038023 k( 135) = ( -0.3571429 -0.0654191 0.1556103), wk = 0.0038023 k( 136) = ( -0.3714286 -0.0680359 0.1618348), wk = 0.0038023 k( 137) = ( -0.3857143 -0.0706527 0.1680592), wk = 0.0038023 k( 138) = ( -0.4000000 -0.0732694 0.1742836), wk = 0.0038023 k( 139) = ( -0.4142857 -0.0758862 0.1805080), wk = 0.0038023 k( 140) = ( -0.4285714 -0.0785029 0.1867324), wk = 0.0038023 k( 141) = ( -0.4428571 -0.0811197 0.1929568), wk = 0.0038023 k( 142) = ( -0.4571429 -0.0837365 0.1991812), wk = 0.0038023 k( 143) = ( -0.4714286 -0.0863532 0.2054056), wk = 0.0038023 k( 144) = ( -0.4857143 -0.0889700 0.2116301), wk = 0.0038023 k( 145) = ( -0.5000000 -0.0915868 0.2178545), wk = 0.0038023 k( 146) = ( -0.5000000 -0.5608836 0.1710600), wk = 0.0038023 k( 147) = ( -0.4897959 -0.5494370 0.1675690), wk = 0.0038023 k( 148) = ( -0.4795918 -0.5379904 0.1640780), wk = 0.0038023 k( 149) = ( -0.4693878 -0.5265438 0.1605870), wk = 0.0038023 k( 150) = ( -0.4591837 -0.5150972 0.1570959), wk = 0.0038023 k( 151) = ( -0.4489796 -0.5036506 0.1536049), wk = 0.0038023 k( 152) = ( -0.4387755 -0.4922040 0.1501139), wk = 0.0038023 k( 153) = ( -0.4285714 -0.4807574 0.1466229), wk = 0.0038023 k( 154) = ( -0.4183674 -0.4693108 0.1431319), wk = 0.0038023 k( 155) = ( -0.4081633 -0.4578642 0.1396408), wk = 0.0038023 k( 156) = ( -0.3979592 -0.4464176 0.1361498), wk = 0.0038023 k( 157) = ( -0.3877551 -0.4349710 0.1326588), wk = 0.0038023 k( 158) = ( -0.3775510 -0.4235244 0.1291678), wk = 0.0038023 k( 159) = ( -0.3673469 -0.4120778 0.1256768), wk = 0.0038023 k( 160) = ( -0.3571429 -0.4006312 0.1221857), wk = 0.0038023 k( 161) = ( -0.3469388 -0.3891846 0.1186947), wk = 0.0038023 k( 162) = ( -0.3367347 -0.3777379 0.1152037), wk = 0.0038023 k( 163) = ( -0.3265306 -0.3662913 0.1117127), wk = 0.0038023 k( 164) = ( -0.3163265 -0.3548447 0.1082216), wk = 0.0038023 k( 165) = ( -0.3061224 -0.3433981 0.1047306), wk = 0.0038023 k( 166) = ( -0.2959184 -0.3319515 0.1012396), wk = 0.0038023 k( 167) = ( -0.2857143 -0.3205049 0.0977486), wk = 0.0038023 k( 168) = ( -0.2755102 -0.3090583 0.0942576), wk = 0.0038023 k( 169) = ( -0.2653061 -0.2976117 0.0907665), wk = 0.0038023 k( 170) = ( -0.2551020 -0.2861651 0.0872755), wk = 0.0038023 k( 171) = ( -0.2448980 -0.2747185 0.0837845), wk = 0.0038023 k( 172) = ( -0.2346939 -0.2632719 0.0802935), wk = 0.0038023 k( 173) = ( -0.2244898 -0.2518253 0.0768025), wk = 0.0038023 k( 174) = ( -0.2142857 -0.2403787 0.0733114), wk = 0.0038023 k( 175) = ( -0.2040816 -0.2289321 0.0698204), wk = 0.0038023 k( 176) = ( -0.1938776 -0.2174855 0.0663294), wk = 0.0038023 k( 177) = ( -0.1836735 -0.2060389 0.0628384), wk = 0.0038023 k( 178) = ( -0.1734694 -0.1945923 0.0593474), wk = 0.0038023 k( 179) = ( -0.1632653 -0.1831457 0.0558563), wk = 0.0038023 k( 180) = ( -0.1530612 -0.1716991 0.0523653), wk = 0.0038023 k( 181) = ( -0.1428571 -0.1602525 0.0488743), wk = 0.0038023 k( 182) = ( -0.1326531 -0.1488059 0.0453833), wk = 0.0038023 k( 183) = ( -0.1224490 -0.1373593 0.0418923), wk = 0.0038023 k( 184) = ( -0.1122449 -0.1259127 0.0384012), wk = 0.0038023 k( 185) = ( -0.1020408 -0.1144660 0.0349102), wk = 0.0038023 k( 186) = ( -0.0918367 -0.1030194 0.0314192), wk = 0.0038023 k( 187) = ( -0.0816327 -0.0915728 0.0279282), wk = 0.0038023 k( 188) = ( -0.0714286 -0.0801262 0.0244371), wk = 0.0038023 k( 189) = ( -0.0612245 -0.0686796 0.0209461), wk = 0.0038023 k( 190) = ( -0.0510204 -0.0572330 0.0174551), wk = 0.0038023 k( 191) = ( -0.0408163 -0.0457864 0.0139641), wk = 0.0038023 k( 192) = ( -0.0306122 -0.0343398 0.0104731), wk = 0.0038023 k( 193) = ( -0.0204082 -0.0228932 0.0069820), wk = 0.0038023 k( 194) = ( -0.0102041 -0.0114466 0.0034910), wk = 0.0038023 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 197) = ( 0.0000000 0.0000000 0.0158845), wk = 0.0038023 k( 198) = ( 0.0000000 0.0000000 0.0317689), wk = 0.0038023 k( 199) = ( 0.0000000 0.0000000 0.0476534), wk = 0.0038023 k( 200) = ( 0.0000000 0.0000000 0.0635378), wk = 0.0038023 k( 201) = ( 0.0000000 0.0000000 0.0794223), wk = 0.0038023 k( 202) = ( 0.0000000 0.0000000 0.0953067), wk = 0.0038023 k( 203) = ( 0.0000000 0.0000000 0.1111912), wk = 0.0038023 k( 204) = ( 0.0000000 0.0000000 0.1270757), wk = 0.0038023 k( 205) = ( 0.0000000 0.0000000 0.1429601), wk = 0.0038023 k( 206) = ( 0.0000000 0.0000000 0.1588446), wk = 0.0038023 k( 207) = ( 0.0000000 0.0000000 0.1747290), wk = 0.0038023 k( 208) = ( 0.0000000 0.0000000 0.1906135), wk = 0.0038023 k( 209) = ( 0.0000000 0.0000000 0.2064979), wk = 0.0038023 k( 210) = ( 0.0000000 0.0000000 0.2223824), wk = 0.0038023 k( 211) = ( 0.0000000 0.0000000 0.2382669), wk = 0.0038023 k( 212) = ( 0.0000000 0.0000000 0.2541513), wk = 0.0038023 k( 213) = ( 0.0000000 0.0000000 0.2700358), wk = 0.0038023 k( 214) = ( 0.0000000 0.0000000 0.2859202), wk = 0.0038023 k( 215) = ( 0.0000000 0.0000000 0.3018047), wk = 0.0038023 k( 216) = ( 0.0000000 0.0000000 0.3176891), wk = 0.0038023 k( 217) = ( 0.0000000 0.0000000 0.3335736), wk = 0.0038023 k( 218) = ( 0.0000000 0.0000000 0.3494581), wk = 0.0038023 k( 219) = ( 0.0000000 0.0000000 0.3653425), wk = 0.0038023 k( 220) = ( 0.0000000 0.0000000 0.3812270), wk = 0.0038023 k( 221) = ( 0.0000000 0.0000000 0.3971114), wk = 0.0038023 k( 222) = ( 0.0000000 0.0000000 0.4129959), wk = 0.0038023 k( 223) = ( 0.0000000 0.0000000 0.4288803), wk = 0.0038023 k( 224) = ( 0.0000000 -0.4692968 0.3820859), wk = 0.0038023 k( 225) = ( 0.0000000 -0.4572636 0.3722888), wk = 0.0038023 k( 226) = ( 0.0000000 -0.4452303 0.3624917), wk = 0.0038023 k( 227) = ( 0.0000000 -0.4331971 0.3526947), wk = 0.0038023 k( 228) = ( 0.0000000 -0.4211638 0.3428976), wk = 0.0038023 k( 229) = ( 0.0000000 -0.4091306 0.3331005), wk = 0.0038023 k( 230) = ( 0.0000000 -0.3970973 0.3233034), wk = 0.0038023 k( 231) = ( 0.0000000 -0.3850641 0.3135064), wk = 0.0038023 k( 232) = ( 0.0000000 -0.3730308 0.3037093), wk = 0.0038023 k( 233) = ( 0.0000000 -0.3609976 0.2939122), wk = 0.0038023 k( 234) = ( 0.0000000 -0.3489643 0.2841152), wk = 0.0038023 k( 235) = ( 0.0000000 -0.3369311 0.2743181), wk = 0.0038023 k( 236) = ( 0.0000000 -0.3248978 0.2645210), wk = 0.0038023 k( 237) = ( 0.0000000 -0.3128646 0.2547239), wk = 0.0038023 k( 238) = ( 0.0000000 -0.3008313 0.2449269), wk = 0.0038023 k( 239) = ( 0.0000000 -0.2887981 0.2351298), wk = 0.0038023 k( 240) = ( 0.0000000 -0.2767648 0.2253327), wk = 0.0038023 k( 241) = ( 0.0000000 -0.2647316 0.2155356), wk = 0.0038023 k( 242) = ( 0.0000000 -0.2526983 0.2057386), wk = 0.0038023 k( 243) = ( 0.0000000 -0.2406651 0.1959415), wk = 0.0038023 k( 244) = ( 0.0000000 -0.2286318 0.1861444), wk = 0.0038023 k( 245) = ( 0.0000000 -0.2165985 0.1763473), wk = 0.0038023 k( 246) = ( 0.0000000 -0.2045653 0.1665503), wk = 0.0038023 k( 247) = ( 0.0000000 -0.1925320 0.1567532), wk = 0.0038023 k( 248) = ( 0.0000000 -0.1804988 0.1469561), wk = 0.0038023 k( 249) = ( 0.0000000 -0.1684655 0.1371590), wk = 0.0038023 k( 250) = ( 0.0000000 -0.1564323 0.1273620), wk = 0.0038023 k( 251) = ( 0.0000000 -0.1443990 0.1175649), wk = 0.0038023 k( 252) = ( 0.0000000 -0.1323658 0.1077678), wk = 0.0038023 k( 253) = ( 0.0000000 -0.1203325 0.0979707), wk = 0.0038023 k( 254) = ( 0.0000000 -0.1082993 0.0881737), wk = 0.0038023 k( 255) = ( 0.0000000 -0.0962660 0.0783766), wk = 0.0038023 k( 256) = ( 0.0000000 -0.0842328 0.0685795), wk = 0.0038023 k( 257) = ( 0.0000000 -0.0721995 0.0587824), wk = 0.0038023 k( 258) = ( 0.0000000 -0.0601663 0.0489854), wk = 0.0038023 k( 259) = ( 0.0000000 -0.0481330 0.0391883), wk = 0.0038023 k( 260) = ( 0.0000000 -0.0360998 0.0293912), wk = 0.0038023 k( 261) = ( 0.0000000 -0.0240665 0.0195942), wk = 0.0038023 k( 262) = ( 0.0000000 -0.0120332 0.0097971), wk = 0.0038023 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 -0.4833333 0.0000000), wk = 0.0038023 k( 3) = ( 0.0000000 -0.4666667 0.0000000), wk = 0.0038023 k( 4) = ( 0.0000000 -0.4500000 0.0000000), wk = 0.0038023 k( 5) = ( 0.0000000 -0.4333333 -0.0000000), wk = 0.0038023 k( 6) = ( 0.0000000 -0.4166667 -0.0000000), wk = 0.0038023 k( 7) = ( 0.0000000 -0.4000000 0.0000000), wk = 0.0038023 k( 8) = ( 0.0000000 -0.3833333 0.0000000), wk = 0.0038023 k( 9) = ( 0.0000000 -0.3666667 0.0000000), wk = 0.0038023 k( 10) = ( 0.0000000 -0.3500000 -0.0000000), wk = 0.0038023 k( 11) = ( 0.0000000 -0.3333333 -0.0000000), wk = 0.0038023 k( 12) = ( 0.0000000 -0.3166667 0.0000000), wk = 0.0038023 k( 13) = ( 0.0000000 -0.3000000 0.0000000), wk = 0.0038023 k( 14) = ( 0.0000000 -0.2833333 0.0000000), wk = 0.0038023 k( 15) = ( 0.0000000 -0.2666667 0.0000000), wk = 0.0038023 k( 16) = ( 0.0000000 -0.2500000 0.0000000), wk = 0.0038023 k( 17) = ( 0.0000000 -0.2333333 -0.0000000), wk = 0.0038023 k( 18) = ( 0.0000000 -0.2166667 0.0000000), wk = 0.0038023 k( 19) = ( 0.0000000 -0.2000000 0.0000000), wk = 0.0038023 k( 20) = ( 0.0000000 -0.1833333 0.0000000), wk = 0.0038023 k( 21) = ( 0.0000000 -0.1666667 -0.0000000), wk = 0.0038023 k( 22) = ( 0.0000000 -0.1500000 0.0000000), wk = 0.0038023 k( 23) = ( 0.0000000 -0.1333333 0.0000000), wk = 0.0038023 k( 24) = ( 0.0000000 -0.1166667 -0.0000000), wk = 0.0038023 k( 25) = ( 0.0000000 -0.1000000 0.0000000), wk = 0.0038023 k( 26) = ( 0.0000000 -0.0833333 0.0000000), wk = 0.0038023 k( 27) = ( 0.0000000 -0.0666667 0.0000000), wk = 0.0038023 k( 28) = ( 0.0000000 -0.0500000 0.0000000), wk = 0.0038023 k( 29) = ( 0.0000000 -0.0333333 0.0000000), wk = 0.0038023 k( 30) = ( 0.0000000 -0.0166667 -0.0000000), wk = 0.0038023 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 33) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0038023 k( 34) = ( 0.0285714 0.0000000 -0.0000000), wk = 0.0038023 k( 35) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0038023 k( 36) = ( 0.0571429 0.0000000 -0.0000000), wk = 0.0038023 k( 37) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0038023 k( 38) = ( 0.0857143 0.0000000 -0.0000000), wk = 0.0038023 k( 39) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 40) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0038023 k( 41) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0038023 k( 42) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0038023 k( 43) = ( 0.1571429 0.0000000 -0.0000000), wk = 0.0038023 k( 44) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0038023 k( 45) = ( 0.1857143 0.0000000 -0.0000000), wk = 0.0038023 k( 46) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 47) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0038023 k( 48) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0038023 k( 49) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0038023 k( 50) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0038023 k( 51) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0038023 k( 52) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0038023 k( 53) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 54) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0038023 k( 55) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0038023 k( 56) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0038023 k( 57) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0038023 k( 58) = ( 0.3714286 0.0000000 -0.0000000), wk = 0.0038023 k( 59) = ( 0.3857143 0.0000000 -0.0000000), wk = 0.0038023 k( 60) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 61) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0038023 k( 62) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0038023 k( 63) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0038023 k( 64) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0038023 k( 65) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0038023 k( 66) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0038023 k( 67) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038023 k( 68) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0038023 k( 69) = ( 0.4878049 -0.4878049 -0.0000000), wk = 0.0038023 k( 70) = ( 0.4756098 -0.4756098 -0.0000000), wk = 0.0038023 k( 71) = ( 0.4634146 -0.4634146 -0.0000000), wk = 0.0038023 k( 72) = ( 0.4512195 -0.4512195 -0.0000000), wk = 0.0038023 k( 73) = ( 0.4390244 -0.4390244 -0.0000000), wk = 0.0038023 k( 74) = ( 0.4268293 -0.4268293 -0.0000000), wk = 0.0038023 k( 75) = ( 0.4146341 -0.4146341 -0.0000000), wk = 0.0038023 k( 76) = ( 0.4024390 -0.4024390 -0.0000000), wk = 0.0038023 k( 77) = ( 0.3902439 -0.3902439 -0.0000000), wk = 0.0038023 k( 78) = ( 0.3780488 -0.3780488 -0.0000000), wk = 0.0038023 k( 79) = ( 0.3658537 -0.3658537 -0.0000000), wk = 0.0038023 k( 80) = ( 0.3536585 -0.3536585 -0.0000000), wk = 0.0038023 k( 81) = ( 0.3414634 -0.3414634 -0.0000000), wk = 0.0038023 k( 82) = ( 0.3292683 -0.3292683 -0.0000000), wk = 0.0038023 k( 83) = ( 0.3170732 -0.3170732 -0.0000000), wk = 0.0038023 k( 84) = ( 0.3048781 -0.3048781 -0.0000000), wk = 0.0038023 k( 85) = ( 0.2926829 -0.2926829 -0.0000000), wk = 0.0038023 k( 86) = ( 0.2804878 -0.2804878 -0.0000000), wk = 0.0038023 k( 87) = ( 0.2682927 -0.2682927 -0.0000000), wk = 0.0038023 k( 88) = ( 0.2560976 -0.2560976 -0.0000000), wk = 0.0038023 k( 89) = ( 0.2439024 -0.2439024 -0.0000000), wk = 0.0038023 k( 90) = ( 0.2317073 -0.2317073 -0.0000000), wk = 0.0038023 k( 91) = ( 0.2195122 -0.2195122 -0.0000000), wk = 0.0038023 k( 92) = ( 0.2073171 -0.2073171 -0.0000000), wk = 0.0038023 k( 93) = ( 0.1951219 -0.1951219 -0.0000000), wk = 0.0038023 k( 94) = ( 0.1829268 -0.1829268 -0.0000000), wk = 0.0038023 k( 95) = ( 0.1707317 -0.1707317 -0.0000000), wk = 0.0038023 k( 96) = ( 0.1585366 -0.1585366 -0.0000000), wk = 0.0038023 k( 97) = ( 0.1463415 -0.1463415 -0.0000000), wk = 0.0038023 k( 98) = ( 0.1341463 -0.1341463 -0.0000000), wk = 0.0038023 k( 99) = ( 0.1219512 -0.1219512 -0.0000000), wk = 0.0038023 k( 100) = ( 0.1097561 -0.1097561 -0.0000000), wk = 0.0038023 k( 101) = ( 0.0975610 -0.0975610 -0.0000000), wk = 0.0038023 k( 102) = ( 0.0853658 -0.0853658 -0.0000000), wk = 0.0038023 k( 103) = ( 0.0731707 -0.0731707 -0.0000000), wk = 0.0038023 k( 104) = ( 0.0609756 -0.0609756 -0.0000000), wk = 0.0038023 k( 105) = ( 0.0487805 -0.0487805 -0.0000000), wk = 0.0038023 k( 106) = ( 0.0365854 -0.0365854 -0.0000000), wk = 0.0038023 k( 107) = ( 0.0243902 -0.0243902 -0.0000000), wk = 0.0038023 k( 108) = ( 0.0121951 -0.0121951 -0.0000000), wk = 0.0038023 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 111) = ( -0.0142857 -0.0000000 0.0142857), wk = 0.0038023 k( 112) = ( -0.0285714 -0.0000000 0.0285714), wk = 0.0038023 k( 113) = ( -0.0428571 0.0000000 0.0428571), wk = 0.0038023 k( 114) = ( -0.0571429 -0.0000000 0.0571429), wk = 0.0038023 k( 115) = ( -0.0714286 0.0000000 0.0714286), wk = 0.0038023 k( 116) = ( -0.0857143 -0.0000000 0.0857143), wk = 0.0038023 k( 117) = ( -0.1000000 0.0000000 0.1000000), wk = 0.0038023 k( 118) = ( -0.1142857 0.0000000 0.1142857), wk = 0.0038023 k( 119) = ( -0.1285714 0.0000000 0.1285714), wk = 0.0038023 k( 120) = ( -0.1428571 0.0000000 0.1428571), wk = 0.0038023 k( 121) = ( -0.1571429 -0.0000000 0.1571429), wk = 0.0038023 k( 122) = ( -0.1714286 0.0000000 0.1714286), wk = 0.0038023 k( 123) = ( -0.1857143 -0.0000000 0.1857143), wk = 0.0038023 k( 124) = ( -0.2000000 0.0000000 0.2000000), wk = 0.0038023 k( 125) = ( -0.2142857 0.0000000 0.2142857), wk = 0.0038023 k( 126) = ( -0.2285714 0.0000000 0.2285714), wk = 0.0038023 k( 127) = ( -0.2428571 0.0000000 0.2428571), wk = 0.0038023 k( 128) = ( -0.2571429 0.0000000 0.2571429), wk = 0.0038023 k( 129) = ( -0.2714286 0.0000000 0.2714286), wk = 0.0038023 k( 130) = ( -0.2857143 0.0000000 0.2857143), wk = 0.0038023 k( 131) = ( -0.3000000 0.0000000 0.3000000), wk = 0.0038023 k( 132) = ( -0.3142857 0.0000000 0.3142857), wk = 0.0038023 k( 133) = ( -0.3285714 0.0000000 0.3285714), wk = 0.0038023 k( 134) = ( -0.3428571 0.0000000 0.3428571), wk = 0.0038023 k( 135) = ( -0.3571429 -0.0000000 0.3571429), wk = 0.0038023 k( 136) = ( -0.3714286 -0.0000000 0.3714286), wk = 0.0038023 k( 137) = ( -0.3857143 -0.0000000 0.3857143), wk = 0.0038023 k( 138) = ( -0.4000000 0.0000000 0.4000000), wk = 0.0038023 k( 139) = ( -0.4142857 0.0000000 0.4142857), wk = 0.0038023 k( 140) = ( -0.4285714 -0.0000000 0.4285714), wk = 0.0038023 k( 141) = ( -0.4428571 0.0000000 0.4428571), wk = 0.0038023 k( 142) = ( -0.4571429 0.0000000 0.4571429), wk = 0.0038023 k( 143) = ( -0.4714286 0.0000000 0.4714286), wk = 0.0038023 k( 144) = ( -0.4857143 0.0000000 0.4857143), wk = 0.0038023 k( 145) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 146) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0038023 k( 147) = ( -0.4897959 -0.4897959 0.4897959), wk = 0.0038023 k( 148) = ( -0.4795918 -0.4795918 0.4795918), wk = 0.0038023 k( 149) = ( -0.4693878 -0.4693878 0.4693878), wk = 0.0038023 k( 150) = ( -0.4591837 -0.4591837 0.4591837), wk = 0.0038023 k( 151) = ( -0.4489796 -0.4489796 0.4489796), wk = 0.0038023 k( 152) = ( -0.4387755 -0.4387755 0.4387755), wk = 0.0038023 k( 153) = ( -0.4285714 -0.4285714 0.4285714), wk = 0.0038023 k( 154) = ( -0.4183674 -0.4183673 0.4183674), wk = 0.0038023 k( 155) = ( -0.4081633 -0.4081633 0.4081633), wk = 0.0038023 k( 156) = ( -0.3979592 -0.3979592 0.3979592), wk = 0.0038023 k( 157) = ( -0.3877551 -0.3877551 0.3877551), wk = 0.0038023 k( 158) = ( -0.3775510 -0.3775510 0.3775510), wk = 0.0038023 k( 159) = ( -0.3673469 -0.3673469 0.3673469), wk = 0.0038023 k( 160) = ( -0.3571429 -0.3571429 0.3571429), wk = 0.0038023 k( 161) = ( -0.3469388 -0.3469388 0.3469388), wk = 0.0038023 k( 162) = ( -0.3367347 -0.3367347 0.3367347), wk = 0.0038023 k( 163) = ( -0.3265306 -0.3265306 0.3265306), wk = 0.0038023 k( 164) = ( -0.3163265 -0.3163265 0.3163265), wk = 0.0038023 k( 165) = ( -0.3061224 -0.3061224 0.3061225), wk = 0.0038023 k( 166) = ( -0.2959184 -0.2959184 0.2959184), wk = 0.0038023 k( 167) = ( -0.2857143 -0.2857143 0.2857143), wk = 0.0038023 k( 168) = ( -0.2755102 -0.2755102 0.2755102), wk = 0.0038023 k( 169) = ( -0.2653061 -0.2653061 0.2653061), wk = 0.0038023 k( 170) = ( -0.2551020 -0.2551020 0.2551020), wk = 0.0038023 k( 171) = ( -0.2448980 -0.2448980 0.2448980), wk = 0.0038023 k( 172) = ( -0.2346939 -0.2346939 0.2346939), wk = 0.0038023 k( 173) = ( -0.2244898 -0.2244898 0.2244898), wk = 0.0038023 k( 174) = ( -0.2142857 -0.2142857 0.2142857), wk = 0.0038023 k( 175) = ( -0.2040816 -0.2040816 0.2040816), wk = 0.0038023 k( 176) = ( -0.1938776 -0.1938775 0.1938776), wk = 0.0038023 k( 177) = ( -0.1836735 -0.1836735 0.1836735), wk = 0.0038023 k( 178) = ( -0.1734694 -0.1734694 0.1734694), wk = 0.0038023 k( 179) = ( -0.1632653 -0.1632653 0.1632653), wk = 0.0038023 k( 180) = ( -0.1530612 -0.1530612 0.1530612), wk = 0.0038023 k( 181) = ( -0.1428571 -0.1428571 0.1428571), wk = 0.0038023 k( 182) = ( -0.1326531 -0.1326531 0.1326531), wk = 0.0038023 k( 183) = ( -0.1224490 -0.1224490 0.1224490), wk = 0.0038023 k( 184) = ( -0.1122449 -0.1122449 0.1122449), wk = 0.0038023 k( 185) = ( -0.1020408 -0.1020408 0.1020408), wk = 0.0038023 k( 186) = ( -0.0918367 -0.0918367 0.0918367), wk = 0.0038023 k( 187) = ( -0.0816327 -0.0816326 0.0816327), wk = 0.0038023 k( 188) = ( -0.0714286 -0.0714286 0.0714286), wk = 0.0038023 k( 189) = ( -0.0612245 -0.0612245 0.0612245), wk = 0.0038023 k( 190) = ( -0.0510204 -0.0510204 0.0510204), wk = 0.0038023 k( 191) = ( -0.0408163 -0.0408163 0.0408163), wk = 0.0038023 k( 192) = ( -0.0306122 -0.0306122 0.0306122), wk = 0.0038023 k( 193) = ( -0.0204082 -0.0204082 0.0204082), wk = 0.0038023 k( 194) = ( -0.0102041 -0.0102041 0.0102041), wk = 0.0038023 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 197) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0038023 k( 198) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0038023 k( 199) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0038023 k( 200) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0038023 k( 201) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0038023 k( 202) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0038023 k( 203) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0038023 k( 204) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0038023 k( 205) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038023 k( 206) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0038023 k( 207) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0038023 k( 208) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0038023 k( 209) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0038023 k( 210) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0038023 k( 211) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0038023 k( 212) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0038023 k( 213) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0038023 k( 214) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038023 k( 215) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0038023 k( 216) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0038023 k( 217) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0038023 k( 218) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0038023 k( 219) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0038023 k( 220) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0038023 k( 221) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0038023 k( 222) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0038023 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 224) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0038023 k( 225) = ( 0.0000000 -0.4871795 0.4871795), wk = 0.0038023 k( 226) = ( 0.0000000 -0.4743590 0.4743590), wk = 0.0038023 k( 227) = ( 0.0000000 -0.4615385 0.4615385), wk = 0.0038023 k( 228) = ( 0.0000000 -0.4487179 0.4487179), wk = 0.0038023 k( 229) = ( 0.0000000 -0.4358974 0.4358974), wk = 0.0038023 k( 230) = ( 0.0000000 -0.4230769 0.4230769), wk = 0.0038023 k( 231) = ( 0.0000000 -0.4102564 0.4102564), wk = 0.0038023 k( 232) = ( 0.0000000 -0.3974359 0.3974359), wk = 0.0038023 k( 233) = ( 0.0000000 -0.3846154 0.3846154), wk = 0.0038023 k( 234) = ( 0.0000000 -0.3717949 0.3717949), wk = 0.0038023 k( 235) = ( 0.0000000 -0.3589744 0.3589744), wk = 0.0038023 k( 236) = ( 0.0000000 -0.3461538 0.3461538), wk = 0.0038023 k( 237) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0038023 k( 238) = ( 0.0000000 -0.3205128 0.3205128), wk = 0.0038023 k( 239) = ( 0.0000000 -0.3076923 0.3076923), wk = 0.0038023 k( 240) = ( 0.0000000 -0.2948718 0.2948718), wk = 0.0038023 k( 241) = ( 0.0000000 -0.2820513 0.2820513), wk = 0.0038023 k( 242) = ( 0.0000000 -0.2692308 0.2692308), wk = 0.0038023 k( 243) = ( 0.0000000 -0.2564103 0.2564103), wk = 0.0038023 k( 244) = ( 0.0000000 -0.2435897 0.2435897), wk = 0.0038023 k( 245) = ( 0.0000000 -0.2307692 0.2307692), wk = 0.0038023 k( 246) = ( 0.0000000 -0.2179487 0.2179487), wk = 0.0038023 k( 247) = ( 0.0000000 -0.2051282 0.2051282), wk = 0.0038023 k( 248) = ( 0.0000000 -0.1923077 0.1923077), wk = 0.0038023 k( 249) = ( 0.0000000 -0.1794872 0.1794872), wk = 0.0038023 k( 250) = ( 0.0000000 -0.1666667 0.1666667), wk = 0.0038023 k( 251) = ( 0.0000000 -0.1538461 0.1538461), wk = 0.0038023 k( 252) = ( 0.0000000 -0.1410256 0.1410256), wk = 0.0038023 k( 253) = ( 0.0000000 -0.1282051 0.1282051), wk = 0.0038023 k( 254) = ( 0.0000000 -0.1153846 0.1153846), wk = 0.0038023 k( 255) = ( 0.0000000 -0.1025641 0.1025641), wk = 0.0038023 k( 256) = ( 0.0000000 -0.0897436 0.0897436), wk = 0.0038023 k( 257) = ( 0.0000000 -0.0769231 0.0769231), wk = 0.0038023 k( 258) = ( 0.0000000 -0.0641026 0.0641026), wk = 0.0038023 k( 259) = ( 0.0000000 -0.0512821 0.0512821), wk = 0.0038023 k( 260) = ( 0.0000000 -0.0384615 0.0384615), wk = 0.0038023 k( 261) = ( 0.0000000 -0.0256410 0.0256410), wk = 0.0038023 k( 262) = ( 0.0000000 -0.0128205 0.0128205), wk = 0.0038023 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 Dense grid: 225531 G-vectors FFT dimensions: ( 72, 80, 90) Smooth grid: 64213 G-vectors FFT dimensions: ( 48, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 470, 82) NL pseudopotentials 0.57 Mb ( 235, 158) Each V/rho on FFT grid 0.26 Mb ( 17280) Each G-vector array 0.05 Mb ( 6266) G-vector shells 0.05 Mb ( 6173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.35 Mb ( 470, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.40 Mb ( 158, 2, 82) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./H6PdxNOx4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.3 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.7 secs Computing kpt #: 13 total cpu time spent up to now is 20.0 secs Computing kpt #: 14 total cpu time spent up to now is 21.2 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.8 secs Computing kpt #: 18 total cpu time spent up to now is 26.1 secs Computing kpt #: 19 total cpu time spent up to now is 27.3 secs Computing kpt #: 20 total cpu time spent up to now is 28.5 secs Computing kpt #: 21 total cpu time spent up to now is 29.7 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.2 secs Computing kpt #: 24 total cpu time spent up to now is 33.5 secs Computing kpt #: 25 total cpu time spent up to now is 34.7 secs Computing kpt #: 26 total cpu time spent up to now is 35.9 secs Computing kpt #: 27 total cpu time spent up to now is 37.1 secs Computing kpt #: 28 total cpu time spent up to now is 38.4 secs Computing kpt #: 29 total cpu time spent up to now is 39.5 secs Computing kpt #: 30 total cpu time spent up to now is 40.7 secs Computing kpt #: 31 total cpu time spent up to now is 41.9 secs Computing kpt #: 32 total cpu time spent up to now is 43.0 secs Computing kpt #: 33 total cpu time spent up to now is 44.2 secs Computing kpt #: 34 total cpu time spent up to now is 45.4 secs Computing kpt #: 35 total cpu time spent up to now is 46.6 secs Computing kpt #: 36 total cpu time spent up to now is 47.8 secs Computing kpt #: 37 total cpu time spent up to now is 49.0 secs Computing kpt #: 38 total cpu time spent up to now is 50.3 secs Computing kpt #: 39 total cpu time spent up to now is 51.6 secs Computing kpt #: 40 total cpu time spent up to now is 53.0 secs Computing kpt #: 41 total cpu time spent up to now is 54.4 secs Computing kpt #: 42 total cpu time spent up to now is 55.7 secs Computing kpt #: 43 total cpu time spent up to now is 57.1 secs Computing kpt #: 44 total cpu time spent up to now is 58.5 secs Computing kpt #: 45 total cpu time spent up to now is 59.9 secs Computing kpt #: 46 total cpu time spent up to now is 61.2 secs Computing kpt #: 47 total cpu time spent up to now is 62.6 secs Computing kpt #: 48 total cpu time spent up to now is 64.0 secs Computing kpt #: 49 total cpu time spent up to now is 65.2 secs Computing kpt #: 50 total cpu time spent up to now is 66.5 secs Computing kpt #: 51 total cpu time spent up to now is 67.8 secs Computing kpt #: 52 total cpu time spent up to now is 69.0 secs Computing kpt #: 53 total cpu time spent up to now is 70.2 secs Computing kpt #: 54 total cpu time spent up to now is 71.5 secs Computing kpt #: 55 total cpu time spent up to now is 72.6 secs Computing kpt #: 56 total cpu time spent up to now is 73.9 secs Computing kpt #: 57 total cpu time spent up to now is 75.1 secs Computing kpt #: 58 total cpu time spent up to now is 76.3 secs Computing kpt #: 59 total cpu time spent up to now is 77.5 secs Computing kpt #: 60 total cpu time spent up to now is 78.8 secs Computing kpt #: 61 total cpu time spent up to now is 80.0 secs Computing kpt #: 62 total cpu time spent up to now is 81.2 secs Computing kpt #: 63 total cpu time spent up to now is 82.5 secs Computing kpt #: 64 total cpu time spent up to now is 83.7 secs Computing kpt #: 65 total cpu time spent up to now is 85.0 secs Computing kpt #: 66 total cpu time spent up to now is 86.2 secs Computing kpt #: 67 total cpu time spent up to now is 87.4 secs Computing kpt #: 68 total cpu time spent up to now is 88.6 secs Computing kpt #: 69 total cpu time spent up to now is 89.8 secs Computing kpt #: 70 total cpu time spent up to now is 91.0 secs Computing kpt #: 71 total cpu time spent up to now is 92.2 secs Computing kpt #: 72 total cpu time spent up to now is 93.4 secs Computing kpt #: 73 total cpu time spent up to now is 94.7 secs Computing kpt #: 74 total cpu time spent up to now is 95.9 secs Computing kpt #: 75 total cpu time spent up to now is 97.1 secs Computing kpt #: 76 total cpu time spent up to now is 98.5 secs Computing kpt #: 77 total cpu time spent up to now is 99.7 secs Computing kpt #: 78 total cpu time spent up to now is 101.1 secs Computing kpt #: 79 total cpu time spent up to now is 102.4 secs Computing kpt #: 80 total cpu time spent up to now is 103.8 secs Computing kpt #: 81 total cpu time spent up to now is 105.0 secs Computing kpt #: 82 total cpu time spent up to now is 106.3 secs Computing kpt #: 83 total cpu time spent up to now is 107.5 secs Computing kpt #: 84 total cpu time spent up to now is 108.8 secs Computing kpt #: 85 total cpu time spent up to now is 110.0 secs Computing kpt #: 86 total cpu time spent up to now is 111.2 secs Computing kpt #: 87 total cpu time spent up to now is 112.5 secs Computing kpt #: 88 total cpu time spent up to now is 113.7 secs Computing kpt #: 89 total cpu time spent up to now is 115.1 secs Computing kpt #: 90 total cpu time spent up to now is 116.3 secs Computing kpt #: 91 total cpu time spent up to now is 117.7 secs Computing kpt #: 92 total cpu time spent up to now is 119.1 secs Computing kpt #: 93 total cpu time spent up to now is 120.5 secs Computing kpt #: 94 total cpu time spent up to now is 121.9 secs Computing kpt #: 95 total cpu time spent up to now is 123.3 secs Computing kpt #: 96 total cpu time spent up to now is 124.6 secs Computing kpt #: 97 total cpu time spent up to now is 126.0 secs Computing kpt #: 98 total cpu time spent up to now is 127.2 secs Computing kpt #: 99 total cpu time spent up to now is 128.5 secs Computing kpt #: 100 total cpu time spent up to now is 129.6 secs Computing kpt #: 101 total cpu time spent up to now is 130.8 secs Computing kpt #: 102 total cpu time spent up to now is 132.0 secs Computing kpt #: 103 total cpu time spent up to now is 133.2 secs Computing kpt #: 104 total cpu time spent up to now is 134.4 secs Computing kpt #: 105 total cpu time spent up to now is 135.5 secs Computing kpt #: 106 total cpu time spent up to now is 136.7 secs Computing kpt #: 107 total cpu time spent up to now is 137.8 secs Computing kpt #: 108 total cpu time spent up to now is 139.0 secs Computing kpt #: 109 total cpu time spent up to now is 140.2 secs Computing kpt #: 110 total cpu time spent up to now is 141.4 secs Computing kpt #: 111 total cpu time spent up to now is 142.5 secs Computing kpt #: 112 total cpu time spent up to now is 143.7 secs Computing kpt #: 113 total cpu time spent up to now is 144.9 secs Computing kpt #: 114 total cpu time spent up to now is 146.1 secs Computing kpt #: 115 total cpu time spent up to now is 147.3 secs Computing kpt #: 116 total cpu time spent up to now is 148.5 secs Computing kpt #: 117 total cpu time spent up to now is 149.7 secs Computing kpt #: 118 total cpu time spent up to now is 150.9 secs Computing kpt #: 119 total cpu time spent up to now is 152.0 secs Computing kpt #: 120 total cpu time spent up to now is 153.2 secs Computing kpt #: 121 total cpu time spent up to now is 154.4 secs Computing kpt #: 122 total cpu time spent up to now is 155.6 secs Computing kpt #: 123 total cpu time spent up to now is 156.7 secs Computing kpt #: 124 total cpu time spent up to now is 157.9 secs Computing kpt #: 125 total cpu time spent up to now is 159.0 secs Computing kpt #: 126 total cpu time spent up to now is 160.2 secs Computing kpt #: 127 total cpu time spent up to now is 161.4 secs Computing kpt #: 128 total cpu time spent up to now is 162.5 secs Computing kpt #: 129 total cpu time spent up to now is 163.7 secs Computing kpt #: 130 total cpu time spent up to now is 164.9 secs Computing kpt #: 131 total cpu time spent up to now is 166.0 secs Computing kpt #: 132 total cpu time spent up to now is 167.2 secs Computing kpt #: 133 total cpu time spent up to now is 168.4 secs Computing kpt #: 134 total cpu time spent up to now is 169.5 secs Computing kpt #: 135 total cpu time spent up to now is 170.7 secs Computing kpt #: 136 total cpu time spent up to now is 171.9 secs Computing kpt #: 137 total cpu time spent up to now is 173.0 secs Computing kpt #: 138 total cpu time spent up to now is 174.2 secs Computing kpt #: 139 total cpu time spent up to now is 175.4 secs Computing kpt #: 140 total cpu time spent up to now is 176.6 secs Computing kpt #: 141 total cpu time spent up to now is 177.8 secs Computing kpt #: 142 total cpu time spent up to now is 179.5 secs Computing kpt #: 143 total cpu time spent up to now is 180.7 secs Computing kpt #: 144 total cpu time spent up to now is 181.9 secs Computing kpt #: 145 total cpu time spent up to now is 183.0 secs Computing kpt #: 146 total cpu time spent up to now is 184.2 secs Computing kpt #: 147 total cpu time spent up to now is 185.3 secs Computing kpt #: 148 total cpu time spent up to now is 186.4 secs Computing kpt #: 149 total cpu time spent up to now is 187.6 secs Computing kpt #: 150 total cpu time spent up to now is 188.7 secs Computing kpt #: 151 total cpu time spent up to now is 189.9 secs Computing kpt #: 152 total cpu time spent up to now is 191.1 secs Computing kpt #: 153 total cpu time spent up to now is 192.2 secs Computing kpt #: 154 total cpu time spent up to now is 193.4 secs Computing kpt #: 155 total cpu time spent up to now is 194.6 secs Computing kpt #: 156 total cpu time spent up to now is 195.8 secs Computing kpt #: 157 total cpu time spent up to now is 197.1 secs Computing kpt #: 158 total cpu time spent up to now is 198.5 secs Computing kpt #: 159 total cpu time spent up to now is 199.9 secs Computing kpt #: 160 total cpu time spent up to now is 201.2 secs Computing kpt #: 161 total cpu time spent up to now is 202.6 secs Computing kpt #: 162 total cpu time spent up to now is 204.0 secs Computing kpt #: 163 total cpu time spent up to now is 205.3 secs Computing kpt #: 164 total cpu time spent up to now is 206.7 secs Computing kpt #: 165 total cpu time spent up to now is 208.1 secs Computing kpt #: 166 total cpu time spent up to now is 209.5 secs Computing kpt #: 167 total cpu time spent up to now is 210.8 secs Computing kpt #: 168 total cpu time spent up to now is 212.2 secs Computing kpt #: 169 total cpu time spent up to now is 213.4 secs Computing kpt #: 170 total cpu time spent up to now is 214.8 secs Computing kpt #: 171 total cpu time spent up to now is 216.0 secs Computing kpt #: 172 total cpu time spent up to now is 217.2 secs Computing kpt #: 173 total cpu time spent up to now is 218.4 secs Computing kpt #: 174 total cpu time spent up to now is 219.6 secs Computing kpt #: 175 total cpu time spent up to now is 220.9 secs Computing kpt #: 176 total cpu time spent up to now is 222.1 secs Computing kpt #: 177 total cpu time spent up to now is 223.3 secs Computing kpt #: 178 total cpu time spent up to now is 224.5 secs Computing kpt #: 179 total cpu time spent up to now is 225.7 secs Computing kpt #: 180 total cpu time spent up to now is 227.0 secs Computing kpt #: 181 total cpu time spent up to now is 228.2 secs Computing kpt #: 182 total cpu time spent up to now is 229.4 secs Computing kpt #: 183 total cpu time spent up to now is 230.7 secs Computing kpt #: 184 total cpu time spent up to now is 231.9 secs Computing kpt #: 185 total cpu time spent up to now is 233.1 secs Computing kpt #: 186 total cpu time spent up to now is 234.3 secs Computing kpt #: 187 total cpu time spent up to now is 235.6 secs Computing kpt #: 188 total cpu time spent up to now is 236.8 secs Computing kpt #: 189 total cpu time spent up to now is 238.0 secs Computing kpt #: 190 total cpu time spent up to now is 239.2 secs Computing kpt #: 191 total cpu time spent up to now is 240.4 secs Computing kpt #: 192 total cpu time spent up to now is 241.6 secs Computing kpt #: 193 total cpu time spent up to now is 242.8 secs Computing kpt #: 194 total cpu time spent up to now is 244.0 secs Computing kpt #: 195 total cpu time spent up to now is 245.2 secs Computing kpt #: 196 total cpu time spent up to now is 246.3 secs Computing kpt #: 197 total cpu time spent up to now is 247.5 secs Computing kpt #: 198 total cpu time spent up to now is 248.7 secs Computing kpt #: 199 total cpu time spent up to now is 249.8 secs Computing kpt #: 200 total cpu time spent up to now is 251.0 secs Computing kpt #: 201 total cpu time spent up to now is 252.1 secs Computing kpt #: 202 total cpu time spent up to now is 253.3 secs Computing kpt #: 203 total cpu time spent up to now is 254.5 secs Computing kpt #: 204 total cpu time spent up to now is 255.7 secs Computing kpt #: 205 total cpu time spent up to now is 256.9 secs Computing kpt #: 206 total cpu time spent up to now is 258.0 secs Computing kpt #: 207 total cpu time spent up to now is 259.2 secs Computing kpt #: 208 total cpu time spent up to now is 260.4 secs Computing kpt #: 209 total cpu time spent up to now is 261.5 secs Computing kpt #: 210 total cpu time spent up to now is 262.7 secs Computing kpt #: 211 total cpu time spent up to now is 263.9 secs Computing kpt #: 212 total cpu time spent up to now is 265.0 secs Computing kpt #: 213 total cpu time spent up to now is 266.2 secs Computing kpt #: 214 total cpu time spent up to now is 267.3 secs Computing kpt #: 215 total cpu time spent up to now is 268.5 secs Computing kpt #: 216 total cpu time spent up to now is 269.6 secs Computing kpt #: 217 total cpu time spent up to now is 270.8 secs Computing kpt #: 218 total cpu time spent up to now is 271.9 secs Computing kpt #: 219 total cpu time spent up to now is 273.0 secs Computing kpt #: 220 total cpu time spent up to now is 274.1 secs Computing kpt #: 221 total cpu time spent up to now is 275.2 secs Computing kpt #: 222 total cpu time spent up to now is 276.3 secs Computing kpt #: 223 total cpu time spent up to now is 277.5 secs Computing kpt #: 224 total cpu time spent up to now is 278.6 secs Computing kpt #: 225 total cpu time spent up to now is 279.7 secs Computing kpt #: 226 total cpu time spent up to now is 280.8 secs Computing kpt #: 227 total cpu time spent up to now is 281.9 secs Computing kpt #: 228 total cpu time spent up to now is 282.9 secs Computing kpt #: 229 total cpu time spent up to now is 285.7 secs Computing kpt #: 230 total cpu time spent up to now is 286.8 secs Computing kpt #: 231 total cpu time spent up to now is 287.9 secs Computing kpt #: 232 total cpu time spent up to now is 289.0 secs Computing kpt #: 233 total cpu time spent up to now is 290.1 secs Computing kpt #: 234 total cpu time spent up to now is 291.2 secs Computing kpt #: 235 total cpu time spent up to now is 292.3 secs Computing kpt #: 236 total cpu time spent up to now is 293.5 secs Computing kpt #: 237 total cpu time spent up to now is 294.7 secs Computing kpt #: 238 total cpu time spent up to now is 295.8 secs Computing kpt #: 239 total cpu time spent up to now is 297.0 secs Computing kpt #: 240 total cpu time spent up to now is 298.2 secs Computing kpt #: 241 total cpu time spent up to now is 299.4 secs Computing kpt #: 242 total cpu time spent up to now is 300.6 secs Computing kpt #: 243 total cpu time spent up to now is 301.8 secs Computing kpt #: 244 total cpu time spent up to now is 303.0 secs Computing kpt #: 245 total cpu time spent up to now is 304.2 secs Computing kpt #: 246 total cpu time spent up to now is 305.5 secs Computing kpt #: 247 total cpu time spent up to now is 306.7 secs Computing kpt #: 248 total cpu time spent up to now is 307.9 secs Computing kpt #: 249 total cpu time spent up to now is 309.2 secs Computing kpt #: 250 total cpu time spent up to now is 310.4 secs Computing kpt #: 251 total cpu time spent up to now is 311.6 secs Computing kpt #: 252 total cpu time spent up to now is 312.9 secs Computing kpt #: 253 total cpu time spent up to now is 314.3 secs Computing kpt #: 254 total cpu time spent up to now is 315.6 secs Computing kpt #: 255 total cpu time spent up to now is 316.8 secs Computing kpt #: 256 total cpu time spent up to now is 318.1 secs Computing kpt #: 257 total cpu time spent up to now is 319.3 secs Computing kpt #: 258 total cpu time spent up to now is 320.5 secs Computing kpt #: 259 total cpu time spent up to now is 321.8 secs Computing kpt #: 260 total cpu time spent up to now is 322.9 secs Computing kpt #: 261 total cpu time spent up to now is 324.1 secs Computing kpt #: 262 total cpu time spent up to now is 325.3 secs Computing kpt #: 263 total cpu time spent up to now is 326.5 secs ethr = 1.47E-08, avg # of iterations = 19.2 total cpu time spent up to now is 326.5 secs End of band structure calculation k = 0.0000-0.4693-0.0468 ( 8024 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6618 -22.6618 -22.6035 -22.6035 -18.0926 -18.0926 -18.0898 -18.0898 -16.3343 -16.3343 -16.2760 -16.2760 -8.4100 -8.4100 -7.8694 -7.8694 -6.2691 -6.2691 -6.1849 -6.1849 -6.1507 -6.1507 -5.9849 -5.9849 -5.2349 -5.2349 -4.8242 -4.8242 -4.6305 -4.6305 -4.5895 -4.5895 -4.5164 -4.5164 -4.3700 -4.3700 -3.2379 -3.2379 -1.1833 -1.1833 -0.0395 -0.0395 0.1414 0.1414 0.2418 0.2418 0.3750 0.3750 0.5633 0.5633 0.9823 0.9823 1.1242 1.1242 1.5452 1.5452 1.7546 1.7546 1.9608 1.9608 4.5623 4.5623 5.5024 5.5024 5.5769 5.5769 8.3002 8.3002 9.4772 9.4772 10.7142 10.7142 11.2850 11.2850 k = 0.0000-0.4537-0.0452 ( 8023 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6618 -22.6618 -22.6035 -22.6035 -18.0931 -18.0931 -18.0893 -18.0893 -16.3346 -16.3346 -16.2757 -16.2757 -8.4100 -8.4100 -7.8697 -7.8697 -6.2697 -6.2697 -6.1858 -6.1858 -6.1492 -6.1492 -5.9847 -5.9847 -5.2354 -5.2354 -4.8240 -4.8240 -4.6301 -4.6301 -4.5909 -4.5909 -4.5149 -4.5149 -4.3699 -4.3699 -3.2383 -3.2383 -1.1826 -1.1826 -0.0396 -0.0396 0.1409 0.1409 0.2420 0.2420 0.3753 0.3753 0.5633 0.5633 0.9826 0.9826 1.1245 1.1245 1.5453 1.5453 1.7544 1.7544 1.9609 1.9609 4.5626 4.5626 5.5014 5.5014 5.5764 5.5764 8.2995 8.2995 9.4773 9.4773 10.7144 10.7144 11.2858 11.2858 k = 0.0000-0.4380-0.0437 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6620 -22.6620 -22.6034 -22.6034 -18.0939 -18.0939 -18.0880 -18.0880 -16.3355 -16.3355 -16.2750 -16.2750 -8.4101 -8.4101 -7.8707 -7.8707 -6.2714 -6.2714 -6.1882 -6.1882 -6.1453 -6.1453 -5.9841 -5.9841 -5.2370 -5.2370 -4.8234 -4.8234 -4.6288 -4.6288 -4.5947 -4.5947 -4.5108 -4.5108 -4.3698 -4.3698 -3.2395 -3.2395 -1.1804 -1.1804 -0.0396 -0.0396 0.1395 0.1395 0.2427 0.2427 0.3761 0.3761 0.5631 0.5631 0.9836 0.9836 1.1253 1.1253 1.5456 1.5456 1.7538 1.7538 1.9613 1.9613 4.5635 4.5635 5.4983 5.4983 5.5749 5.5749 8.2974 8.2974 9.4775 9.4775 10.7150 10.7150 11.2881 11.2881 k = 0.0000-0.4224-0.0421 ( 8031 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6623 -22.6623 -22.6032 -22.6032 -18.0948 -18.0948 -18.0866 -18.0866 -16.3369 -16.3369 -16.2739 -16.2739 -8.4101 -8.4101 -7.8724 -7.8724 -6.2741 -6.2741 -6.1912 -6.1912 -6.1396 -6.1396 -5.9831 -5.9831 -5.2397 -5.2397 -4.8224 -4.8224 -4.6268 -4.6268 -4.6002 -4.6002 -4.5049 -4.5049 -4.3696 -4.3696 -3.2415 -3.2415 -1.1768 -1.1768 -0.0398 -0.0398 0.1373 0.1373 0.2436 0.2436 0.3773 0.3773 0.5628 0.5628 0.9851 0.9851 1.1266 1.1266 1.5462 1.5462 1.7530 1.7530 1.9619 1.9619 4.5649 4.5649 5.4931 5.4931 5.5727 5.5727 8.2940 8.2940 9.4777 9.4777 10.7162 10.7162 11.2918 11.2918 k = 0.0000-0.4067-0.0406 ( 8028 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6626 -22.6626 -22.6030 -22.6030 -18.0957 -18.0957 -18.0850 -18.0850 -16.3388 -16.3388 -16.2725 -16.2725 -8.4102 -8.4102 -7.8748 -7.8748 -6.2778 -6.2778 -6.1942 -6.1942 -6.1329 -6.1329 -5.9818 -5.9818 -5.2434 -5.2434 -4.8209 -4.8209 -4.6242 -4.6242 -4.6065 -4.6065 -4.4978 -4.4978 -4.3694 -4.3694 -3.2442 -3.2442 -1.1718 -1.1718 -0.0402 -0.0402 0.1346 0.1346 0.2448 0.2448 0.3791 0.3791 0.5625 0.5625 0.9872 0.9872 1.1285 1.1285 1.5470 1.5470 1.7518 1.7518 1.9627 1.9627 4.5669 4.5669 5.4857 5.4857 5.5697 5.5697 8.2894 8.2894 9.4776 9.4776 10.7178 10.7178 11.2965 11.2965 k = 0.0000-0.3911-0.0390 ( 8034 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6631 -22.6631 -22.6027 -22.6027 -18.0964 -18.0964 -18.0833 -18.0833 -16.3411 -16.3411 -16.2708 -16.2708 -8.4103 -8.4103 -7.8778 -7.8778 -6.2825 -6.2825 -6.1971 -6.1971 -6.1256 -6.1256 -5.9802 -5.9802 -5.2481 -5.2481 -4.8191 -4.8191 -4.6215 -4.6215 -4.6126 -4.6126 -4.4900 -4.4900 -4.3692 -4.3692 -3.2477 -3.2477 -1.1655 -1.1655 -0.0408 -0.0408 0.1316 0.1316 0.2461 0.2461 0.3812 0.3812 0.5620 0.5620 0.9899 0.9899 1.1308 1.1308 1.5480 1.5480 1.7504 1.7504 1.9636 1.9636 4.5695 4.5695 5.4760 5.4760 5.5663 5.5663 8.2837 8.2837 9.4771 9.4771 10.7202 10.7202 11.3021 11.3021 k = 0.0000-0.3754-0.0374 ( 8032 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6636 -22.6636 -22.6024 -22.6024 -18.0970 -18.0970 -18.0815 -18.0815 -16.3436 -16.3436 -16.2688 -16.2688 -8.4104 -8.4104 -7.8813 -7.8813 -6.2878 -6.2878 -6.1995 -6.1995 -6.1177 -6.1177 -5.9784 -5.9784 -5.2537 -5.2537 -4.8168 -4.8168 -4.6227 -4.6227 -4.6140 -4.6140 -4.4821 -4.4821 -4.3690 -4.3690 -3.2518 -3.2518 -1.1580 -1.1580 -0.0418 -0.0418 0.1285 0.1285 0.2473 0.2473 0.3837 0.3837 0.5615 0.5615 0.9932 0.9932 1.1336 1.1336 1.5492 1.5492 1.7488 1.7488 1.9646 1.9646 4.5726 4.5726 5.4640 5.4640 5.5625 5.5625 8.2773 8.2773 9.4757 9.4757 10.7233 10.7233 11.3080 11.3080 k = 0.0000-0.3598-0.0359 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6642 -22.6642 -22.6020 -22.6020 -18.0975 -18.0975 -18.0796 -18.0796 -16.3465 -16.3465 -16.2668 -16.2668 -8.4105 -8.4105 -7.8854 -7.8854 -6.2938 -6.2938 -6.2016 -6.2016 -6.1095 -6.1095 -5.9765 -5.9765 -5.2601 -5.2601 -4.8142 -4.8142 -4.6283 -4.6283 -4.6102 -4.6102 -4.4741 -4.4741 -4.3689 -4.3689 -3.2566 -3.2566 -1.1493 -1.1493 -0.0434 -0.0434 0.1258 0.1258 0.2485 0.2485 0.3865 0.3865 0.5609 0.5609 0.9970 0.9970 1.1367 1.1367 1.5506 1.5506 1.7471 1.7471 1.9656 1.9656 4.5761 4.5761 5.4497 5.4497 5.5584 5.5584 8.2702 8.2702 9.4733 9.4733 10.7274 10.7274 11.3138 11.3138 k = 0.0000-0.3442-0.0343 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6649 -22.6649 -22.6016 -22.6016 -18.0980 -18.0980 -18.0776 -18.0776 -16.3495 -16.3495 -16.2646 -16.2646 -8.4106 -8.4106 -7.8899 -7.8899 -6.3003 -6.3003 -6.2034 -6.2034 -6.1011 -6.1011 -5.9744 -5.9744 -5.2673 -5.2673 -4.8111 -4.8111 -4.6340 -4.6340 -4.6053 -4.6053 -4.4662 -4.4662 -4.3689 -4.3689 -3.2619 -3.2619 -1.1395 -1.1395 -0.0456 -0.0456 0.1235 0.1235 0.2495 0.2495 0.3895 0.3895 0.5602 0.5602 1.0014 1.0014 1.1402 1.1402 1.5523 1.5523 1.7454 1.7454 1.9667 1.9667 4.5802 4.5802 5.4334 5.4334 5.5542 5.5542 8.2627 8.2627 9.4695 9.4695 10.7324 10.7324 11.3189 11.3189 k = 0.0000-0.3285-0.0328 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6656 -22.6656 -22.6012 -22.6012 -18.0983 -18.0983 -18.0756 -18.0756 -16.3526 -16.3526 -16.2624 -16.2624 -8.4108 -8.4108 -7.8949 -7.8949 -6.3071 -6.3071 -6.2048 -6.2048 -6.0926 -6.0926 -5.9724 -5.9724 -5.2753 -5.2753 -4.8076 -4.8076 -4.6392 -4.6392 -4.5998 -4.5998 -4.4586 -4.4586 -4.3690 -4.3690 -3.2676 -3.2676 -1.1288 -1.1288 -0.0486 -0.0486 0.1220 0.1220 0.2503 0.2503 0.3926 0.3926 0.5595 0.5595 1.0062 1.0062 1.1440 1.1440 1.5542 1.5542 1.7438 1.7438 1.9677 1.9677 4.5847 4.5847 5.4150 5.4150 5.5498 5.5498 8.2551 8.2551 9.4640 9.4640 10.7385 10.7385 11.3229 11.3229 k = 0.0000-0.3129-0.0312 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6664 -22.6664 -22.6007 -22.6007 -18.0985 -18.0985 -18.0735 -18.0735 -16.3559 -16.3559 -16.2602 -16.2602 -8.4109 -8.4109 -7.9002 -7.9002 -6.3141 -6.3141 -6.2058 -6.2058 -6.0839 -6.0839 -5.9704 -5.9704 -5.2839 -5.2839 -4.8038 -4.8038 -4.6435 -4.6435 -4.5941 -4.5941 -4.4514 -4.4514 -4.3694 -4.3694 -3.2738 -3.2738 -1.1172 -1.1172 -0.0525 -0.0525 0.1213 0.1213 0.2510 0.2510 0.3956 0.3956 0.5588 0.5588 1.0116 1.0116 1.1479 1.1479 1.5562 1.5562 1.7422 1.7422 1.9686 1.9686 4.5895 4.5895 5.3949 5.3949 5.5453 5.5453 8.2474 8.2474 9.4567 9.4567 10.7456 10.7456 11.3256 11.3256 k = 0.0000-0.2972-0.0296 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6672 -22.6672 -22.6003 -22.6003 -18.0987 -18.0987 -18.0715 -18.0715 -16.3591 -16.3591 -16.2580 -16.2580 -8.4111 -8.4111 -7.9059 -7.9059 -6.3213 -6.3213 -6.2066 -6.2066 -6.0753 -6.0753 -5.9685 -5.9685 -5.2931 -5.2931 -4.7996 -4.7996 -4.6468 -4.6468 -4.5882 -4.5882 -4.4446 -4.4446 -4.3701 -4.3701 -3.2804 -3.2804 -1.1049 -1.1049 -0.0572 -0.0572 0.1216 0.1216 0.2516 0.2516 0.3986 0.3986 0.5580 0.5580 1.0173 1.0173 1.1520 1.1520 1.5584 1.5584 1.7408 1.7408 1.9694 1.9694 4.5947 4.5947 5.3733 5.3733 5.5407 5.5407 8.2399 8.2399 9.4474 9.4474 10.7539 10.7539 11.3268 11.3268 k = 0.0000-0.2816-0.0281 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6680 -22.6680 -22.5998 -22.5998 -18.0987 -18.0987 -18.0693 -18.0693 -16.3624 -16.3624 -16.2558 -16.2558 -8.4113 -8.4113 -7.9117 -7.9117 -6.3286 -6.3286 -6.2070 -6.2070 -6.0667 -6.0667 -5.9666 -5.9666 -5.3028 -5.3028 -4.7951 -4.7951 -4.6491 -4.6491 -4.5822 -4.5822 -4.4382 -4.4382 -4.3710 -4.3710 -3.2871 -3.2871 -1.0921 -1.0921 -0.0628 -0.0628 0.1229 0.1229 0.2521 0.2521 0.4013 0.4013 0.5573 0.5573 1.0235 1.0235 1.1561 1.1561 1.5608 1.5608 1.7398 1.7398 1.9701 1.9701 4.6002 4.6002 5.3504 5.3504 5.5360 5.5360 8.2328 8.2328 9.4363 9.4363 10.7632 10.7632 11.3265 11.3265 k = 0.0000-0.2659-0.0265 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6689 -22.6689 -22.5993 -22.5993 -18.0987 -18.0987 -18.0672 -18.0672 -16.3657 -16.3657 -16.2537 -16.2537 -8.4115 -8.4115 -7.9177 -7.9177 -6.3358 -6.3358 -6.2073 -6.2073 -6.0583 -6.0583 -5.9648 -5.9648 -5.3130 -5.3130 -4.7903 -4.7903 -4.6503 -4.6503 -4.5762 -4.5762 -4.4322 -4.4322 -4.3723 -4.3723 -3.2941 -3.2941 -1.0788 -1.0788 -0.0692 -0.0692 0.1250 0.1250 0.2526 0.2526 0.4037 0.4037 0.5565 0.5565 1.0301 1.0301 1.1602 1.1602 1.5633 1.5633 1.7390 1.7390 1.9705 1.9705 4.6060 4.6060 5.3265 5.3265 5.5313 5.5313 8.2261 8.2261 9.4233 9.4233 10.7735 10.7735 11.3249 11.3249 k = 0.0000-0.2503-0.0250 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6697 -22.6697 -22.5988 -22.5988 -18.0987 -18.0987 -18.0652 -18.0652 -16.3689 -16.3689 -16.2517 -16.2517 -8.4118 -8.4118 -7.9238 -7.9238 -6.3429 -6.3429 -6.2072 -6.2072 -6.0503 -6.0503 -5.9630 -5.9630 -5.3234 -5.3234 -4.7853 -4.7853 -4.6504 -4.6504 -4.5704 -4.5704 -4.4268 -4.4268 -4.3739 -4.3739 -3.3012 -3.3012 -1.0653 -1.0653 -0.0762 -0.0762 0.1279 0.1279 0.2532 0.2532 0.4058 0.4058 0.5558 0.5558 1.0370 1.0370 1.1642 1.1642 1.5659 1.5659 1.7386 1.7386 1.9708 1.9708 4.6120 4.6120 5.3018 5.3018 5.5265 5.5265 8.2200 8.2200 9.4086 9.4086 10.7847 10.7847 11.3220 11.3220 k = 0.0000-0.2346-0.0234 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6706 -22.6706 -22.5983 -22.5983 -18.0985 -18.0985 -18.0631 -18.0631 -16.3721 -16.3721 -16.2497 -16.2497 -8.4120 -8.4120 -7.9299 -7.9299 -6.3499 -6.3499 -6.2070 -6.2070 -6.0427 -6.0427 -5.9610 -5.9610 -5.3342 -5.3342 -4.7799 -4.7799 -4.6494 -4.6494 -4.5648 -4.5648 -4.4218 -4.4218 -4.3759 -4.3759 -3.3082 -3.3082 -1.0516 -1.0516 -0.0838 -0.0838 0.1315 0.1315 0.2540 0.2540 0.4074 0.4074 0.5551 0.5551 1.0443 1.0443 1.1679 1.1679 1.5685 1.5685 1.7386 1.7386 1.9709 1.9709 4.6180 4.6180 5.2768 5.2768 5.5217 5.5217 8.2145 8.2145 9.3924 9.3924 10.7967 10.7967 11.3180 11.3180 k = 0.0000-0.2190-0.0218 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6714 -22.6714 -22.5979 -22.5979 -18.0984 -18.0984 -18.0611 -18.0611 -16.3751 -16.3751 -16.2479 -16.2479 -8.4122 -8.4122 -7.9360 -7.9360 -6.3566 -6.3566 -6.2065 -6.2065 -6.0358 -6.0358 -5.9587 -5.9587 -5.3451 -5.3451 -4.7744 -4.7744 -4.6473 -4.6473 -4.5595 -4.5595 -4.4174 -4.4174 -4.3782 -4.3782 -3.3152 -3.3152 -1.0379 -1.0379 -0.0916 -0.0916 0.1355 0.1355 0.2551 0.2551 0.4084 0.4084 0.5544 0.5544 1.0518 1.0518 1.1713 1.1713 1.5711 1.5711 1.7390 1.7390 1.9707 1.9707 4.6242 4.6242 5.2515 5.2515 5.5170 5.5170 8.2097 8.2097 9.3751 9.3751 10.8095 10.8095 11.3127 11.3127 k = 0.0000-0.2034-0.0203 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6722 -22.6722 -22.5974 -22.5974 -18.0981 -18.0981 -18.0591 -18.0591 -16.3781 -16.3781 -16.2461 -16.2461 -8.4125 -8.4125 -7.9420 -7.9420 -6.3631 -6.3631 -6.2059 -6.2059 -6.0298 -6.0298 -5.9559 -5.9559 -5.3562 -5.3562 -4.7686 -4.7686 -4.6442 -4.6442 -4.5546 -4.5546 -4.4135 -4.4135 -4.3809 -4.3809 -3.3221 -3.3221 -1.0243 -1.0243 -0.0997 -0.0997 0.1398 0.1398 0.2565 0.2565 0.4089 0.4089 0.5537 0.5537 1.0595 1.0595 1.1744 1.1744 1.5736 1.5736 1.7398 1.7398 1.9705 1.9705 4.6304 4.6304 5.2264 5.2264 5.5123 5.5123 8.2056 8.2056 9.3568 9.3568 10.8229 10.8229 11.3061 11.3061 k = 0.0000-0.1877-0.0187 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6730 -22.6730 -22.5970 -22.5970 -18.0979 -18.0979 -18.0572 -18.0572 -16.3809 -16.3809 -16.2445 -16.2445 -8.4127 -8.4127 -7.9477 -7.9477 -6.3693 -6.3693 -6.2051 -6.2051 -6.0250 -6.0250 -5.9525 -5.9525 -5.3672 -5.3672 -4.7627 -4.7627 -4.6402 -4.6402 -4.5502 -4.5502 -4.4101 -4.4101 -4.3837 -4.3837 -3.3288 -3.3288 -1.0111 -1.0111 -0.1078 -0.1078 0.1443 0.1443 0.2584 0.2584 0.4087 0.4087 0.5531 0.5531 1.0675 1.0675 1.1770 1.1770 1.5761 1.5761 1.7410 1.7410 1.9700 1.9700 4.6365 4.6365 5.2016 5.2016 5.5077 5.5077 8.2022 8.2022 9.3381 9.3381 10.8368 10.8368 11.2980 11.2980 k = 0.0000-0.1721-0.0172 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6738 -22.6738 -22.5966 -22.5966 -18.0977 -18.0977 -18.0554 -18.0554 -16.3835 -16.3835 -16.2430 -16.2430 -8.4129 -8.4129 -7.9533 -7.9533 -6.3752 -6.3752 -6.2042 -6.2042 -6.0213 -6.0213 -5.9484 -5.9484 -5.3781 -5.3781 -4.7566 -4.7566 -4.6355 -4.6355 -4.5464 -4.5464 -4.4074 -4.4074 -4.3867 -4.3867 -3.3352 -3.3352 -0.9983 -0.9983 -0.1159 -0.1159 0.1486 0.1486 0.2609 0.2609 0.4078 0.4078 0.5526 0.5526 1.0755 1.0755 1.1791 1.1791 1.5784 1.5784 1.7427 1.7427 1.9694 1.9694 4.6425 4.6425 5.1776 5.1776 5.5033 5.5033 8.1995 8.1995 9.3192 9.3192 10.8514 10.8514 11.2883 11.2883 k = 0.0000-0.1564-0.0156 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6745 -22.6745 -22.5962 -22.5962 -18.0974 -18.0974 -18.0538 -18.0538 -16.3860 -16.3860 -16.2416 -16.2416 -8.4132 -8.4132 -7.9585 -7.9585 -6.3807 -6.3807 -6.2031 -6.2031 -6.0188 -6.0188 -5.9436 -5.9436 -5.3888 -5.3888 -4.7505 -4.7505 -4.6301 -4.6301 -4.5431 -4.5431 -4.4055 -4.4055 -4.3895 -4.3895 -3.3412 -3.3412 -0.9861 -0.9861 -0.1237 -0.1237 0.1528 0.1528 0.2639 0.2639 0.4063 0.4063 0.5521 0.5521 1.0836 1.0836 1.1806 1.1806 1.5806 1.5806 1.7446 1.7446 1.9688 1.9688 4.6483 4.6483 5.1545 5.1545 5.4991 5.4991 8.1974 8.1974 9.3006 9.3006 10.8666 10.8666 11.2768 11.2768 k = 0.0000-0.1408-0.0140 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6751 -22.6751 -22.5958 -22.5958 -18.0971 -18.0971 -18.0522 -18.0522 -16.3883 -16.3883 -16.2404 -16.2404 -8.4134 -8.4134 -7.9635 -7.9635 -6.3857 -6.3857 -6.2020 -6.2020 -6.0174 -6.0174 -5.9382 -5.9382 -5.3991 -5.3991 -4.7443 -4.7443 -4.6242 -4.6242 -4.5405 -4.5405 -4.4050 -4.4050 -4.3914 -4.3914 -3.3469 -3.3469 -0.9746 -0.9746 -0.1311 -0.1311 0.1566 0.1566 0.2676 0.2676 0.4041 0.4041 0.5517 0.5517 1.0918 1.0918 1.1815 1.1815 1.5826 1.5826 1.7468 1.7468 1.9680 1.9680 4.6538 4.6538 5.1326 5.1326 5.4950 5.4950 8.1958 8.1958 9.2825 9.2825 10.8824 10.8824 11.2635 11.2635 k = 0.0000-0.1251-0.0125 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6758 -22.6758 -22.5955 -22.5955 -18.0968 -18.0968 -18.0507 -18.0507 -16.3904 -16.3904 -16.2392 -16.2392 -8.4136 -8.4136 -7.9680 -7.9680 -6.3903 -6.3903 -6.2008 -6.2008 -6.0169 -6.0169 -5.9324 -5.9324 -5.4090 -5.4090 -4.7383 -4.7383 -4.6179 -4.6179 -4.5385 -4.5385 -4.4063 -4.4063 -4.3921 -4.3921 -3.3521 -3.3521 -0.9640 -0.9640 -0.1381 -0.1381 0.1599 0.1599 0.2719 0.2719 0.4013 0.4013 0.5514 0.5514 1.1000 1.1000 1.1817 1.1817 1.5843 1.5843 1.7491 1.7491 1.9673 1.9673 4.6590 4.6590 5.1122 5.1122 5.4913 5.4913 8.1948 8.1948 9.2653 9.2653 10.8988 10.8988 11.2483 11.2483 k = 0.0000-0.1095-0.0109 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6763 -22.6763 -22.5952 -22.5952 -18.0966 -18.0966 -18.0494 -18.0494 -16.3923 -16.3923 -16.2382 -16.2382 -8.4138 -8.4138 -7.9721 -7.9721 -6.3945 -6.3945 -6.1996 -6.1996 -6.0171 -6.0171 -5.9266 -5.9266 -5.4182 -5.4182 -4.7326 -4.7326 -4.6114 -4.6114 -4.5373 -4.5373 -4.4089 -4.4089 -4.3916 -4.3916 -3.3569 -3.3569 -0.9543 -0.9543 -0.1445 -0.1445 0.1628 0.1628 0.2768 0.2768 0.3980 0.3980 0.5511 0.5511 1.1080 1.1080 1.1813 1.1813 1.5859 1.5859 1.7515 1.7515 1.9665 1.9665 4.6638 4.6638 5.0936 5.0936 5.4879 5.4879 8.1941 8.1941 9.2494 9.2494 10.9158 10.9158 11.2315 11.2315 k = 0.0000-0.0939-0.0094 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6768 -22.6768 -22.5950 -22.5950 -18.0963 -18.0963 -18.0483 -18.0483 -16.3939 -16.3939 -16.2374 -16.2374 -8.4140 -8.4140 -7.9757 -7.9757 -6.3981 -6.3981 -6.1985 -6.1985 -6.0177 -6.0177 -5.9209 -5.9209 -5.4265 -5.4265 -4.7272 -4.7272 -4.6049 -4.6049 -4.5368 -4.5368 -4.4122 -4.4122 -4.3907 -4.3907 -3.3610 -3.3610 -0.9456 -0.9456 -0.1502 -0.1502 0.1652 0.1652 0.2820 0.2820 0.3942 0.3942 0.5509 0.5509 1.1158 1.1158 1.1802 1.1802 1.5872 1.5872 1.7539 1.7539 1.9657 1.9657 4.6682 4.6682 5.0769 5.0769 5.4848 5.4848 8.1938 8.1938 9.2349 9.2349 10.9334 10.9334 11.2133 11.2133 k = 0.0000-0.0782-0.0078 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6772 -22.6772 -22.5948 -22.5948 -18.0961 -18.0961 -18.0473 -18.0473 -16.3953 -16.3953 -16.2366 -16.2366 -8.4141 -8.4141 -7.9788 -7.9788 -6.4012 -6.4012 -6.1974 -6.1974 -6.0186 -6.0186 -5.9157 -5.9157 -5.4340 -5.4340 -4.7223 -4.7223 -4.5985 -4.5985 -4.5369 -4.5369 -4.4157 -4.4157 -4.3897 -4.3897 -3.3646 -3.3646 -0.9381 -0.9381 -0.1552 -0.1552 0.1672 0.1672 0.2874 0.2874 0.3901 0.3901 0.5508 0.5508 1.1235 1.1235 1.1784 1.1784 1.5883 1.5883 1.7562 1.7562 1.9651 1.9651 4.6720 4.6720 5.0624 5.0624 5.4822 5.4822 8.1937 8.1937 9.2222 9.2222 10.9514 10.9514 11.1941 11.1941 k = 0.0000-0.0626-0.0062 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6776 -22.6776 -22.5946 -22.5946 -18.0960 -18.0960 -18.0465 -18.0465 -16.3965 -16.3965 -16.2360 -16.2360 -8.4142 -8.4142 -7.9814 -7.9814 -6.4038 -6.4038 -6.1964 -6.1964 -6.0195 -6.0195 -5.9111 -5.9111 -5.4403 -5.4403 -4.7180 -4.7180 -4.5925 -4.5925 -4.5376 -4.5376 -4.4189 -4.4189 -4.3888 -4.3888 -3.3676 -3.3676 -0.9319 -0.9319 -0.1593 -0.1593 0.1687 0.1687 0.2928 0.2928 0.3859 0.3859 0.5506 0.5506 1.1308 1.1308 1.1759 1.1759 1.5892 1.5892 1.7582 1.7582 1.9645 1.9645 4.6752 4.6752 5.0502 5.0502 5.4799 5.4799 8.1937 8.1937 9.2115 9.2115 10.9697 10.9697 11.1744 11.1744 k = 0.0000-0.0469-0.0047 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6778 -22.6778 -22.5945 -22.5945 -18.0958 -18.0958 -18.0458 -18.0458 -16.3974 -16.3974 -16.2356 -16.2356 -8.4144 -8.4144 -7.9835 -7.9835 -6.4058 -6.4058 -6.1957 -6.1957 -6.0204 -6.0204 -5.9073 -5.9073 -5.4454 -5.4454 -4.7146 -4.7146 -4.5871 -4.5871 -4.5387 -4.5387 -4.4216 -4.4216 -4.3880 -4.3880 -3.3700 -3.3700 -0.9270 -0.9270 -0.1626 -0.1626 0.1698 0.1698 0.2977 0.2977 0.3819 0.3819 0.5506 0.5506 1.1376 1.1376 1.1728 1.1728 1.5898 1.5898 1.7598 1.7598 1.9640 1.9640 4.6778 4.6778 5.0406 5.0406 5.4781 5.4781 8.1938 8.1938 9.2030 9.2030 10.9876 10.9876 11.1550 11.1550 k = 0.0000-0.0313-0.0031 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6780 -22.6780 -22.5944 -22.5944 -18.0957 -18.0957 -18.0454 -18.0454 -16.3981 -16.3981 -16.2352 -16.2352 -8.4144 -8.4144 -7.9849 -7.9849 -6.4073 -6.4073 -6.1951 -6.1951 -6.0211 -6.0211 -5.9045 -5.9045 -5.4492 -5.4492 -4.7120 -4.7120 -4.5827 -4.5827 -4.5399 -4.5399 -4.4237 -4.4237 -4.3874 -4.3874 -3.3717 -3.3717 -0.9234 -0.9234 -0.1650 -0.1650 0.1705 0.1705 0.3018 0.3018 0.3786 0.3786 0.5505 0.5505 1.1439 1.1439 1.1694 1.1694 1.5903 1.5903 1.7611 1.7611 1.9636 1.9636 4.6797 4.6797 5.0336 5.0336 5.4769 5.4769 8.1939 8.1939 9.1968 9.1968 11.0042 11.0042 11.1372 11.1372 k = 0.0000-0.0156-0.0016 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0451 -18.0451 -16.3985 -16.3985 -16.2350 -16.2350 -8.4145 -8.4145 -7.9858 -7.9858 -6.4081 -6.4081 -6.1947 -6.1947 -6.0215 -6.0215 -5.9027 -5.9027 -5.4514 -5.4514 -4.7104 -4.7104 -4.5797 -4.5797 -4.5409 -4.5409 -4.4250 -4.4250 -4.3871 -4.3871 -3.3727 -3.3727 -0.9213 -0.9213 -0.1664 -0.1664 0.1710 0.1710 0.3046 0.3046 0.3763 0.3763 0.5505 0.5505 1.1490 1.1490 1.1659 1.1659 1.5906 1.5906 1.7618 1.7618 1.9634 1.9634 4.6808 4.6808 5.0294 5.0294 5.4761 5.4761 8.1940 8.1940 9.1931 9.1931 11.0170 11.0170 11.1236 11.1236 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k = 0.0143 0.0026 0.0060 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3985 -16.3985 -16.2350 -16.2350 -8.4147 -8.4147 -7.9860 -7.9860 -6.4083 -6.4083 -6.1948 -6.1948 -6.0223 -6.0223 -5.9020 -5.9020 -5.4514 -5.4514 -4.7102 -4.7102 -4.5782 -4.5782 -4.5413 -4.5413 -4.4256 -4.4256 -4.3872 -4.3872 -3.3728 -3.3728 -0.9211 -0.9211 -0.1665 -0.1665 0.1711 0.1711 0.3054 0.3054 0.3753 0.3753 0.5507 0.5507 1.1510 1.1510 1.1643 1.1643 1.5905 1.5905 1.7620 1.7620 1.9639 1.9639 4.6819 4.6819 5.0289 5.0289 5.4756 5.4756 8.1947 8.1947 9.1914 9.1914 11.0187 11.0187 11.1222 11.1222 k = 0.0286 0.0052 0.0121 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6780 -22.6780 -22.5944 -22.5944 -18.0955 -18.0955 -18.0451 -18.0451 -16.3983 -16.3983 -16.2352 -16.2352 -8.4153 -8.4153 -7.9858 -7.9858 -6.4079 -6.4079 -6.1954 -6.1954 -6.0244 -6.0244 -5.9015 -5.9015 -5.4492 -5.4492 -4.7110 -4.7110 -4.5769 -4.5769 -4.5412 -4.5412 -4.4259 -4.4259 -4.3878 -4.3878 -3.3721 -3.3721 -0.9229 -0.9229 -0.1652 -0.1652 0.1712 0.1712 0.3048 0.3048 0.3747 0.3747 0.5513 0.5513 1.1503 1.1503 1.1647 1.1647 1.5899 1.5899 1.7616 1.7616 1.9656 1.9656 4.6840 4.6840 5.0316 5.0316 5.4748 5.4748 8.1966 8.1966 9.1902 9.1902 11.0101 11.0101 11.1327 11.1327 k = 0.0429 0.0079 0.0181 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6778 -22.6778 -22.5946 -22.5946 -18.0954 -18.0954 -18.0452 -18.0452 -16.3980 -16.3980 -16.2356 -16.2356 -8.4164 -8.4164 -7.9855 -7.9855 -6.4073 -6.4073 -6.1963 -6.1963 -6.0277 -6.0277 -5.9006 -5.9006 -5.4455 -5.4455 -4.7124 -4.7124 -4.5747 -4.5747 -4.5410 -4.5410 -4.4265 -4.4265 -4.3889 -4.3889 -3.3709 -3.3709 -0.9259 -0.9259 -0.1631 -0.1631 0.1713 0.1713 0.3037 0.3037 0.3736 0.3736 0.5523 0.5523 1.1492 1.1492 1.1653 1.1653 1.5890 1.5890 1.7609 1.7609 1.9685 1.9685 4.6874 4.6874 5.0361 5.0361 5.4736 5.4736 8.1997 8.1997 9.1881 9.1881 10.9985 10.9985 11.1470 11.1470 k = 0.0571 0.0105 0.0241 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6776 -22.6776 -22.5948 -22.5948 -18.0952 -18.0952 -18.0454 -18.0454 -16.3975 -16.3975 -16.2361 -16.2361 -8.4178 -8.4178 -7.9851 -7.9851 -6.4064 -6.4064 -6.1977 -6.1977 -6.0322 -6.0322 -5.8995 -5.8995 -5.4403 -5.4403 -4.7142 -4.7142 -4.5717 -4.5717 -4.5407 -4.5407 -4.4274 -4.4274 -4.3903 -4.3903 -3.3693 -3.3693 -0.9299 -0.9299 -0.1601 -0.1601 0.1714 0.1714 0.3024 0.3024 0.3721 0.3721 0.5538 0.5538 1.1478 1.1478 1.1660 1.1660 1.5878 1.5878 1.7601 1.7601 1.9723 1.9723 4.6921 4.6921 5.0423 5.0423 5.4719 5.4719 8.2041 8.2041 9.1853 9.1853 10.9860 10.9860 11.1626 11.1626 k = 0.0714 0.0131 0.0301 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6772 -22.6772 -22.5950 -22.5950 -18.0950 -18.0950 -18.0456 -18.0456 -16.3969 -16.3969 -16.2367 -16.2367 -8.4196 -8.4196 -7.9845 -7.9845 -6.4052 -6.4052 -6.1994 -6.1994 -6.0379 -6.0379 -5.8981 -5.8981 -5.4339 -5.4339 -4.7165 -4.7165 -4.5681 -4.5681 -4.5403 -4.5403 -4.4284 -4.4284 -4.3921 -4.3921 -3.3672 -3.3672 -0.9351 -0.9351 -0.1563 -0.1563 0.1715 0.1715 0.3006 0.3006 0.3702 0.3702 0.5557 0.5557 1.1463 1.1463 1.1667 1.1667 1.5862 1.5862 1.7592 1.7592 1.9771 1.9771 4.6981 4.6981 5.0502 5.0502 5.4698 5.4698 8.2096 8.2096 9.1819 9.1819 10.9732 10.9732 11.1774 11.1774 k = 0.0857 0.0157 0.0362 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6768 -22.6768 -22.5954 -22.5954 -18.0948 -18.0948 -18.0459 -18.0459 -16.3962 -16.3962 -16.2375 -16.2375 -8.4218 -8.4218 -7.9838 -7.9838 -6.4039 -6.4039 -6.2014 -6.2014 -6.0447 -6.0447 -5.8963 -5.8963 -5.4262 -5.4262 -4.7191 -4.7191 -4.5639 -4.5639 -4.5399 -4.5399 -4.4298 -4.4298 -4.3942 -4.3942 -3.3647 -3.3647 -0.9413 -0.9413 -0.1517 -0.1517 0.1717 0.1717 0.2986 0.2986 0.3679 0.3679 0.5579 0.5579 1.1447 1.1447 1.1672 1.1672 1.5842 1.5842 1.7582 1.7582 1.9827 1.9827 4.7054 4.7054 5.0596 5.0596 5.4673 5.4673 8.2163 8.2163 9.1778 9.1778 10.9608 10.9608 11.1892 11.1892 k = 0.1000 0.0183 0.0422 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6763 -22.6763 -22.5958 -22.5958 -18.0945 -18.0945 -18.0462 -18.0462 -16.3954 -16.3954 -16.2384 -16.2384 -8.4243 -8.4243 -7.9830 -7.9830 -6.4022 -6.4022 -6.2039 -6.2039 -6.0523 -6.0523 -5.8943 -5.8943 -5.4174 -5.4174 -4.7219 -4.7219 -4.5594 -4.5594 -4.5393 -4.5393 -4.4314 -4.4314 -4.3966 -4.3966 -3.3618 -3.3618 -0.9485 -0.9485 -0.1463 -0.1463 0.1717 0.1717 0.2962 0.2962 0.3651 0.3651 0.5606 0.5606 1.1430 1.1430 1.1677 1.1677 1.5820 1.5820 1.7573 1.7573 1.9890 1.9890 4.7138 4.7138 5.0704 5.0704 5.4645 5.4645 8.2240 8.2240 9.1734 9.1734 10.9489 10.9489 11.1952 11.1952 k = 0.1143 0.0209 0.0482 ( 8049 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6757 -22.6757 -22.5962 -22.5962 -18.0942 -18.0942 -18.0466 -18.0466 -16.3944 -16.3944 -16.2394 -16.2394 -8.4271 -8.4271 -7.9821 -7.9821 -6.4004 -6.4004 -6.2066 -6.2066 -6.0607 -6.0607 -5.8920 -5.8920 -5.4076 -5.4076 -4.7250 -4.7250 -4.5549 -4.5549 -4.5384 -4.5384 -4.4332 -4.4332 -4.3991 -4.3991 -3.3585 -3.3585 -0.9567 -0.9567 -0.1402 -0.1402 0.1717 0.1717 0.2936 0.2936 0.3621 0.3621 0.5636 0.5636 1.1413 1.1413 1.1680 1.1680 1.5794 1.5794 1.7564 1.7564 1.9959 1.9959 4.7233 4.7233 5.0825 5.0825 5.4615 5.4615 8.2328 8.2328 9.1687 9.1687 10.9376 10.9376 11.1924 11.1924 k = 0.1286 0.0236 0.0543 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6751 -22.6751 -22.5967 -22.5967 -18.0938 -18.0938 -18.0470 -18.0470 -16.3933 -16.3933 -16.2406 -16.2406 -8.4303 -8.4303 -7.9811 -7.9811 -6.3982 -6.3982 -6.2097 -6.2097 -6.0698 -6.0698 -5.8895 -5.8895 -5.3970 -5.3970 -4.7282 -4.7282 -4.5508 -4.5508 -4.5369 -4.5369 -4.4352 -4.4352 -4.4017 -4.4017 -3.3549 -3.3549 -0.9656 -0.9656 -0.1333 -0.1333 0.1716 0.1716 0.2908 0.2908 0.3587 0.3587 0.5669 0.5669 1.1396 1.1396 1.1681 1.1681 1.5766 1.5766 1.7556 1.7556 2.0034 2.0034 4.7338 4.7338 5.0956 5.0956 5.4583 5.4583 8.2425 8.2425 9.1640 9.1640 10.9268 10.9268 11.1790 11.1790 k = 0.1429 0.0262 0.0603 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6744 -22.6744 -22.5973 -22.5973 -18.0934 -18.0934 -18.0475 -18.0475 -16.3921 -16.3921 -16.2419 -16.2419 -8.4337 -8.4337 -7.9801 -7.9801 -6.3959 -6.3959 -6.2131 -6.2131 -6.0794 -6.0794 -5.8867 -5.8867 -5.3855 -5.3855 -4.7315 -4.7315 -4.5477 -4.5477 -4.5344 -4.5344 -4.4374 -4.4374 -4.4044 -4.4044 -3.3509 -3.3509 -0.9754 -0.9754 -0.1258 -0.1258 0.1713 0.1713 0.2878 0.2878 0.3551 0.3551 0.5706 0.5706 1.1380 1.1380 1.1681 1.1681 1.5736 1.5736 1.7551 1.7551 2.0112 2.0112 4.7452 4.7452 5.1097 5.1097 5.4552 5.4552 8.2530 8.2530 9.1593 9.1593 10.9166 10.9166 11.1555 11.1555 k = 0.1571 0.0288 0.0663 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6736 -22.6736 -22.5979 -22.5979 -18.0929 -18.0929 -18.0480 -18.0480 -16.3908 -16.3908 -16.2433 -16.2433 -8.4373 -8.4373 -7.9789 -7.9789 -6.3933 -6.3933 -6.2169 -6.2169 -6.0894 -6.0894 -5.8838 -5.8838 -5.3734 -5.3734 -4.7348 -4.7348 -4.5460 -4.5460 -4.5307 -4.5307 -4.4396 -4.4396 -4.4071 -4.4071 -3.3465 -3.3465 -0.9858 -0.9858 -0.1177 -0.1177 0.1708 0.1708 0.2846 0.2846 0.3513 0.3513 0.5744 0.5744 1.1364 1.1364 1.1679 1.1679 1.5704 1.5704 1.7548 1.7548 2.0192 2.0192 4.7575 4.7575 5.1244 5.1244 5.4522 5.4522 8.2641 8.2641 9.1550 9.1550 10.9069 10.9069 11.1240 11.1240 k = 0.1714 0.0314 0.0724 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6728 -22.6728 -22.5985 -22.5985 -18.0924 -18.0924 -18.0485 -18.0485 -16.3894 -16.3894 -16.2448 -16.2448 -8.4411 -8.4411 -7.9777 -7.9777 -6.3906 -6.3906 -6.2210 -6.2210 -6.0997 -6.0997 -5.8807 -5.8807 -5.3608 -5.3608 -4.7381 -4.7381 -4.5456 -4.5456 -4.5262 -4.5262 -4.4417 -4.4417 -4.4097 -4.4097 -3.3419 -3.3419 -0.9967 -0.9967 -0.1090 -0.1090 0.1702 0.1702 0.2812 0.2812 0.3473 0.3473 0.5785 0.5785 1.1350 1.1350 1.1675 1.1675 1.5670 1.5670 1.7548 1.7548 2.0274 2.0274 4.7704 4.7704 5.1395 5.1395 5.4496 5.4496 8.2759 8.2759 9.1514 9.1514 10.8975 10.8975 11.0869 11.0869 k = 0.1857 0.0340 0.0784 ( 8030 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6719 -22.6719 -22.5992 -22.5992 -18.0919 -18.0919 -18.0491 -18.0491 -16.3879 -16.3879 -16.2464 -16.2464 -8.4451 -8.4451 -7.9765 -7.9765 -6.3876 -6.3876 -6.2254 -6.2254 -6.1101 -6.1101 -5.8774 -5.8774 -5.3477 -5.3477 -4.7413 -4.7413 -4.5460 -4.5460 -4.5216 -4.5216 -4.4435 -4.4435 -4.4123 -4.4123 -3.3371 -3.3371 -1.0082 -1.0082 -0.0997 -0.0997 0.1692 0.1692 0.2778 0.2778 0.3434 0.3434 0.5827 0.5827 1.1336 1.1336 1.1669 1.1669 1.5634 1.5634 1.7550 1.7550 2.0358 2.0358 4.7839 4.7839 5.1546 5.1546 5.4475 5.4475 8.2880 8.2880 9.1486 9.1486 10.8884 10.8884 11.0461 11.0461 k = 0.2000 0.0366 0.0844 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6710 -22.6710 -22.6000 -22.6000 -18.0913 -18.0913 -18.0497 -18.0497 -16.3862 -16.3862 -16.2482 -16.2482 -8.4492 -8.4492 -7.9752 -7.9752 -6.3844 -6.3844 -6.2301 -6.2301 -6.1205 -6.1205 -5.8741 -5.8741 -5.3343 -5.3343 -4.7445 -4.7445 -4.5472 -4.5472 -4.5172 -4.5172 -4.4448 -4.4448 -4.4147 -4.4147 -3.3320 -3.3320 -1.0201 -1.0201 -0.0899 -0.0899 0.1679 0.1679 0.2742 0.2742 0.3396 0.3396 0.5870 0.5870 1.1322 1.1322 1.1661 1.1661 1.5597 1.5597 1.7555 1.7555 2.0441 2.0441 4.7978 4.7978 5.1695 5.1695 5.4462 5.4462 8.3003 8.3003 9.1471 9.1471 10.8794 10.8794 11.0032 11.0032 k = 0.2143 0.0393 0.0904 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6700 -22.6700 -22.6008 -22.6008 -18.0907 -18.0907 -18.0504 -18.0504 -16.3845 -16.3845 -16.2500 -16.2500 -8.4534 -8.4534 -7.9740 -7.9740 -6.3810 -6.3810 -6.2351 -6.2351 -6.1308 -6.1308 -5.8706 -5.8706 -5.3206 -5.3206 -4.7475 -4.7475 -4.5493 -4.5493 -4.5134 -4.5134 -4.4453 -4.4453 -4.4170 -4.4170 -3.3268 -3.3268 -1.0323 -1.0323 -0.0798 -0.0798 0.1663 0.1663 0.2705 0.2705 0.3359 0.3359 0.5913 0.5913 1.1310 1.1310 1.1652 1.1652 1.5559 1.5559 1.7563 1.7563 2.0523 2.0523 4.8121 4.8121 5.1838 5.1838 5.4459 5.4459 8.3126 8.3126 9.1470 9.1470 10.8703 10.8703 10.9591 10.9591 k = 0.2286 0.0419 0.0965 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6689 -22.6689 -22.6016 -22.6016 -18.0900 -18.0900 -18.0511 -18.0511 -16.3827 -16.3827 -16.2519 -16.2519 -8.4577 -8.4577 -7.9726 -7.9726 -6.3775 -6.3775 -6.2404 -6.2404 -6.1410 -6.1410 -5.8671 -5.8671 -5.3068 -5.3068 -4.7503 -4.7503 -4.5522 -4.5522 -4.5103 -4.5103 -4.4448 -4.4448 -4.4191 -4.4191 -3.3214 -3.3214 -1.0446 -1.0446 -0.0692 -0.0692 0.1643 0.1643 0.2669 0.2669 0.3324 0.3324 0.5955 0.5955 1.1298 1.1298 1.1641 1.1641 1.5520 1.5520 1.7574 1.7574 2.0605 2.0605 4.8265 4.8265 5.1971 5.1971 5.4471 5.4471 8.3247 8.3247 9.1487 9.1487 10.8608 10.8608 10.9149 10.9149 k = 0.2429 0.0445 0.1025 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6679 -22.6679 -22.6025 -22.6025 -18.0893 -18.0893 -18.0518 -18.0518 -16.3808 -16.3808 -16.2539 -16.2539 -8.4620 -8.4620 -7.9713 -7.9713 -6.3737 -6.3737 -6.2460 -6.2460 -6.1509 -6.1509 -5.8635 -5.8635 -5.2930 -5.2930 -4.7529 -4.7529 -4.5560 -4.5560 -4.5080 -4.5080 -4.4434 -4.4434 -4.4211 -4.4211 -3.3159 -3.3159 -1.0571 -1.0571 -0.0583 -0.0583 0.1620 0.1620 0.2632 0.2632 0.3292 0.3292 0.5997 0.5997 1.1288 1.1288 1.1629 1.1629 1.5480 1.5480 1.7588 1.7588 2.0684 2.0684 4.8410 4.8410 5.2090 5.2090 5.4498 5.4498 8.3363 8.3363 9.1525 9.1525 10.8490 10.8490 10.8729 10.8729 k = 0.2571 0.0471 0.1085 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6668 -22.6668 -22.6034 -22.6034 -18.0886 -18.0886 -18.0526 -18.0526 -16.3789 -16.3789 -16.2560 -16.2560 -8.4663 -8.4663 -7.9700 -7.9700 -6.3698 -6.3698 -6.2519 -6.2519 -6.1604 -6.1604 -5.8600 -5.8600 -5.2792 -5.2792 -4.7552 -4.7552 -4.5608 -4.5608 -4.5063 -4.5063 -4.4410 -4.4410 -4.4227 -4.4227 -3.3104 -3.3104 -1.0696 -1.0696 -0.0472 -0.0472 0.1592 0.1592 0.2596 0.2596 0.3263 0.3263 0.6038 0.6038 1.1278 1.1278 1.1616 1.1616 1.5441 1.5441 1.7605 1.7605 2.0761 2.0761 4.8552 4.8552 5.2192 5.2192 5.4544 5.4544 8.3474 8.3474 9.1587 9.1587 10.8202 10.8202 10.8484 10.8484 k = 0.2714 0.0497 0.1146 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6656 -22.6656 -22.6044 -22.6044 -18.0879 -18.0879 -18.0534 -18.0534 -16.3768 -16.3768 -16.2581 -16.2581 -8.4705 -8.4705 -7.9687 -7.9687 -6.3658 -6.3658 -6.2580 -6.2580 -6.1696 -6.1696 -5.8564 -5.8564 -5.2656 -5.2656 -4.7572 -4.7572 -4.5665 -4.5665 -4.5051 -4.5051 -4.4383 -4.4383 -4.4238 -4.4238 -3.3048 -3.3048 -1.0820 -1.0820 -0.0359 -0.0359 0.1562 0.1562 0.2560 0.2560 0.3237 0.3237 0.6076 0.6076 1.1268 1.1268 1.1602 1.1602 1.5402 1.5402 1.7624 1.7624 2.0835 2.0835 4.8693 4.8693 5.2277 5.2277 5.4608 5.4608 8.3576 8.3576 9.1674 9.1674 10.7785 10.7785 10.8373 10.8373 k = 0.2857 0.0523 0.1206 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6645 -22.6645 -22.6053 -22.6053 -18.0871 -18.0871 -18.0542 -18.0542 -16.3748 -16.3748 -16.2603 -16.2603 -8.4747 -8.4747 -7.9675 -7.9675 -6.3617 -6.3617 -6.2642 -6.2642 -6.1783 -6.1783 -5.8529 -5.8529 -5.2522 -5.2522 -4.7588 -4.7588 -4.5731 -4.5731 -4.5042 -4.5042 -4.4358 -4.4358 -4.4239 -4.4239 -3.2993 -3.2993 -1.0942 -1.0942 -0.0246 -0.0246 0.1528 0.1528 0.2525 0.2525 0.3215 0.3215 0.6113 0.6113 1.1259 1.1259 1.1588 1.1588 1.5363 1.5363 1.7645 1.7645 2.0905 2.0905 4.8829 4.8829 5.2342 5.2342 5.4692 5.4692 8.3669 8.3669 9.1788 9.1788 10.7364 10.7364 10.8277 10.8277 k = 0.3000 0.0550 0.1266 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6633 -22.6633 -22.6063 -22.6063 -18.0863 -18.0863 -18.0550 -18.0550 -16.3727 -16.3727 -16.2625 -16.2625 -8.4788 -8.4788 -7.9662 -7.9662 -6.3574 -6.3574 -6.2706 -6.2706 -6.1866 -6.1866 -5.8494 -5.8494 -5.2391 -5.2391 -4.7600 -4.7600 -4.5805 -4.5805 -4.5036 -4.5036 -4.4347 -4.4347 -4.4222 -4.4222 -3.2938 -3.2938 -1.1062 -1.1062 -0.0132 -0.0132 0.1492 0.1492 0.2492 0.2492 0.3195 0.3195 0.6147 0.6147 1.1250 1.1250 1.1574 1.1574 1.5325 1.5325 1.7668 1.7668 2.0972 2.0972 4.8959 4.8959 5.2390 5.2390 5.4792 5.4792 8.3750 8.3750 9.1930 9.1930 10.6951 10.6951 10.8186 10.8186 k = 0.3143 0.0576 0.1326 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6621 -22.6621 -22.6073 -22.6073 -18.0855 -18.0855 -18.0559 -18.0559 -16.3705 -16.3705 -16.2647 -16.2647 -8.4827 -8.4827 -7.9651 -7.9651 -6.3530 -6.3530 -6.2770 -6.2770 -6.1945 -6.1945 -5.8461 -5.8461 -5.2264 -5.2264 -4.7607 -4.7607 -4.5886 -4.5886 -4.5031 -4.5031 -4.4349 -4.4349 -4.4189 -4.4189 -3.2885 -3.2885 -1.1178 -1.1178 -0.0019 -0.0019 0.1454 0.1454 0.2460 0.2460 0.3178 0.3178 0.6179 0.6179 1.1242 1.1242 1.1560 1.1560 1.5288 1.5288 1.7692 1.7692 2.1036 2.1036 4.9083 4.9083 5.2424 5.2424 5.4905 5.4905 8.3821 8.3821 9.2099 9.2099 10.6549 10.6549 10.8097 10.8097 k = 0.3286 0.0602 0.1387 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6609 -22.6609 -22.6083 -22.6083 -18.0847 -18.0847 -18.0567 -18.0567 -16.3684 -16.3684 -16.2670 -16.2670 -8.4865 -8.4865 -7.9639 -7.9639 -6.3486 -6.3486 -6.2834 -6.2834 -6.2019 -6.2019 -5.8428 -5.8428 -5.2143 -5.2143 -4.7609 -4.7609 -4.5973 -4.5973 -4.5026 -4.5026 -4.4357 -4.4357 -4.4147 -4.4147 -3.2834 -3.2834 -1.1289 -1.1289 0.0092 0.0092 0.1415 0.1415 0.2430 0.2430 0.3165 0.3165 0.6207 0.6207 1.1234 1.1234 1.1546 1.1546 1.5252 1.5252 1.7717 1.7717 2.1095 2.1095 4.9199 4.9199 5.2445 5.2445 5.5028 5.5028 8.3880 8.3880 9.2296 9.2296 10.6162 10.6162 10.8013 10.8013 k = 0.3429 0.0628 0.1447 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6598 -22.6598 -22.6093 -22.6093 -18.0839 -18.0839 -18.0576 -18.0576 -16.3663 -16.3663 -16.2692 -16.2692 -8.4900 -8.4900 -7.9628 -7.9628 -6.3441 -6.3441 -6.2896 -6.2896 -6.2089 -6.2089 -5.8398 -5.8398 -5.2027 -5.2027 -4.7606 -4.7606 -4.6064 -4.6064 -4.5022 -4.5022 -4.4368 -4.4368 -4.4102 -4.4102 -3.2784 -3.2784 -1.1395 -1.1395 0.0199 0.0199 0.1377 0.1377 0.2401 0.2401 0.3153 0.3153 0.6232 0.6232 1.1225 1.1225 1.1533 1.1533 1.5218 1.5218 1.7743 1.7743 2.1150 2.1150 4.9306 4.9306 5.2457 5.2457 5.5155 5.5155 8.3927 8.3927 9.2516 9.2516 10.5789 10.5789 10.7935 10.7935 k = 0.3571 0.0654 0.1507 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6586 -22.6586 -22.6103 -22.6103 -18.0830 -18.0830 -18.0585 -18.0585 -16.3642 -16.3642 -16.2714 -16.2714 -8.4934 -8.4934 -7.9618 -7.9618 -6.3396 -6.3396 -6.2955 -6.2955 -6.2156 -6.2156 -5.8369 -5.8369 -5.1918 -5.1918 -4.7596 -4.7596 -4.6158 -4.6158 -4.5019 -4.5019 -4.4380 -4.4380 -4.4058 -4.4058 -3.2737 -3.2737 -1.1495 -1.1495 0.0303 0.0303 0.1340 0.1340 0.2374 0.2374 0.3143 0.3143 0.6254 0.6254 1.1217 1.1217 1.1522 1.1522 1.5186 1.5186 1.7769 1.7769 2.1200 2.1200 4.9404 4.9404 5.2462 5.2462 5.5284 5.5284 8.3964 8.3964 9.2757 9.2757 10.5432 10.5432 10.7866 10.7866 k = 0.3714 0.0680 0.1568 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6575 -22.6575 -22.6112 -22.6112 -18.0822 -18.0822 -18.0594 -18.0594 -16.3621 -16.3621 -16.2735 -16.2735 -8.4965 -8.4965 -7.9609 -7.9609 -6.3352 -6.3352 -6.3011 -6.3011 -6.2219 -6.2219 -5.8341 -5.8341 -5.1817 -5.1817 -4.7581 -4.7581 -4.6254 -4.6254 -4.5015 -4.5015 -4.4391 -4.4391 -4.4015 -4.4015 -3.2693 -3.2693 -1.1587 -1.1587 0.0400 0.0400 0.1305 0.1305 0.2349 0.2349 0.3135 0.3135 0.6273 0.6273 1.1209 1.1209 1.1511 1.1511 1.5156 1.5156 1.7794 1.7794 2.1245 2.1245 4.9491 4.9491 5.2464 5.2464 5.5411 5.5411 8.3992 8.3992 9.3014 9.3014 10.5091 10.5091 10.7808 10.7808 k = 0.3857 0.0707 0.1628 ( 8032 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6565 -22.6565 -22.6121 -22.6121 -18.0814 -18.0814 -18.0602 -18.0602 -16.3602 -16.3602 -16.2756 -16.2756 -8.4993 -8.4993 -7.9600 -7.9600 -6.3309 -6.3309 -6.3062 -6.3062 -6.2279 -6.2279 -5.8317 -5.8317 -5.1724 -5.1724 -4.7558 -4.7558 -4.6352 -4.6352 -4.5012 -4.5012 -4.4402 -4.4402 -4.3975 -4.3975 -3.2653 -3.2653 -1.1672 -1.1672 0.0491 0.0491 0.1273 0.1273 0.2325 0.2325 0.3128 0.3128 0.6289 0.6289 1.1201 1.1201 1.1502 1.1502 1.5128 1.5128 1.7818 1.7818 2.1287 2.1287 4.9568 4.9568 5.2463 5.2463 5.5532 5.5532 8.4012 8.4012 9.3281 9.3281 10.4769 10.4769 10.7763 10.7763 k = 0.4000 0.0733 0.1688 ( 8032 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6555 -22.6555 -22.6130 -22.6130 -18.0806 -18.0806 -18.0611 -18.0611 -16.3583 -16.3583 -16.2775 -16.2775 -8.5018 -8.5018 -7.9592 -7.9592 -6.3269 -6.3269 -6.3105 -6.3105 -6.2335 -6.2335 -5.8294 -5.8294 -5.1640 -5.1640 -4.7530 -4.7530 -4.6450 -4.6450 -4.5009 -4.5009 -4.4412 -4.4412 -4.3939 -4.3939 -3.2616 -3.2616 -1.1749 -1.1749 0.0572 0.0572 0.1246 0.1246 0.2304 0.2304 0.3122 0.3122 0.6302 0.6302 1.1193 1.1193 1.1493 1.1493 1.5103 1.5103 1.7841 1.7841 2.1323 2.1323 4.9634 4.9634 5.2462 5.2462 5.5645 5.5645 8.4025 8.4025 9.3551 9.3551 10.4468 10.4468 10.7735 10.7735 k = 0.4143 0.0759 0.1749 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6546 -22.6546 -22.6138 -22.6138 -18.0798 -18.0798 -18.0619 -18.0619 -16.3566 -16.3566 -16.2793 -16.2793 -8.5041 -8.5041 -7.9586 -7.9586 -6.3240 -6.3240 -6.3134 -6.3134 -6.2388 -6.2388 -5.8274 -5.8274 -5.1566 -5.1566 -4.7494 -4.7494 -4.6548 -4.6548 -4.5007 -4.5007 -4.4421 -4.4421 -4.3906 -4.3906 -3.2583 -3.2583 -1.1817 -1.1817 0.0643 0.0643 0.1225 0.1225 0.2284 0.2284 0.3117 0.3117 0.6312 0.6312 1.1186 1.1186 1.1487 1.1487 1.5081 1.5081 1.7862 1.7862 2.1354 2.1354 4.9690 4.9690 5.2461 5.2461 5.5748 5.5748 8.4033 8.4033 9.3817 9.3817 10.4189 10.4189 10.7725 10.7725 k = 0.4286 0.0785 0.1809 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6538 -22.6538 -22.6145 -22.6145 -18.0791 -18.0791 -18.0627 -18.0627 -16.3550 -16.3550 -16.2809 -16.2809 -8.5060 -8.5060 -7.9580 -7.9580 -6.3237 -6.3237 -6.3134 -6.3134 -6.2437 -6.2437 -5.8257 -5.8257 -5.1502 -5.1502 -4.7452 -4.7452 -4.6644 -4.6644 -4.5005 -4.5005 -4.4428 -4.4428 -4.3878 -4.3878 -3.2555 -3.2555 -1.1875 -1.1875 0.0702 0.0702 0.1210 0.1210 0.2266 0.2266 0.3113 0.3113 0.6321 0.6321 1.1179 1.1179 1.1481 1.1481 1.5061 1.5061 1.7880 1.7880 2.1380 2.1380 4.9736 4.9736 5.2460 5.2460 5.5838 5.5838 8.4037 8.4037 9.4068 9.4068 10.3938 10.3938 10.7737 10.7737 k = 0.4429 0.0811 0.1869 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6531 -22.6531 -22.6152 -22.6152 -18.0784 -18.0784 -18.0633 -18.0633 -16.3537 -16.3537 -16.2823 -16.2823 -8.5076 -8.5076 -7.9575 -7.9575 -6.3253 -6.3253 -6.3110 -6.3110 -6.2482 -6.2482 -5.8243 -5.8243 -5.1450 -5.1450 -4.7404 -4.7404 -4.6737 -4.6737 -4.5003 -4.5003 -4.4434 -4.4434 -4.3855 -4.3855 -3.2531 -3.2531 -1.1923 -1.1923 0.0748 0.0748 0.1201 0.1201 0.2251 0.2251 0.3110 0.3110 0.6327 0.6327 1.1174 1.1174 1.1477 1.1477 1.5045 1.5045 1.7896 1.7896 2.1402 2.1402 4.9773 4.9773 5.2459 5.2459 5.5914 5.5914 8.4039 8.4039 9.4295 9.4295 10.3718 10.3718 10.7770 10.7770 k = 0.4571 0.0837 0.1929 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6525 -22.6525 -22.6157 -22.6157 -18.0778 -18.0778 -18.0639 -18.0639 -16.3526 -16.3526 -16.2834 -16.2834 -8.5088 -8.5088 -7.9571 -7.9571 -6.3273 -6.3273 -6.3081 -6.3081 -6.2520 -6.2520 -5.8231 -5.8231 -5.1408 -5.1408 -4.7351 -4.7351 -4.6826 -4.6826 -4.5002 -4.5002 -4.4439 -4.4439 -4.3836 -4.3836 -3.2513 -3.2513 -1.1961 -1.1961 0.0782 0.0782 0.1199 0.1199 0.2239 0.2239 0.3107 0.3107 0.6331 0.6331 1.1169 1.1169 1.1473 1.1473 1.5033 1.5033 1.7909 1.7909 2.1419 2.1419 4.9801 4.9801 5.2459 5.2459 5.5974 5.5974 8.4039 8.4039 9.4486 9.4486 10.3538 10.3538 10.7824 10.7824 k = 0.4714 0.0864 0.1990 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6521 -22.6521 -22.6160 -22.6160 -18.0774 -18.0774 -18.0644 -18.0644 -16.3518 -16.3518 -16.2843 -16.2843 -8.5097 -8.5097 -7.9568 -7.9568 -6.3289 -6.3289 -6.3055 -6.3055 -6.2551 -6.2551 -5.8223 -5.8223 -5.1378 -5.1378 -4.7297 -4.7297 -4.6906 -4.6906 -4.5001 -4.5001 -4.4443 -4.4443 -4.3823 -4.3823 -3.2499 -3.2499 -1.1988 -1.1988 0.0803 0.0803 0.1199 0.1199 0.2230 0.2230 0.3105 0.3105 0.6334 0.6334 1.1166 1.1166 1.1471 1.1471 1.5023 1.5023 1.7918 1.7918 2.1431 2.1431 4.9820 4.9820 5.2459 5.2459 5.6018 5.6018 8.4038 8.4038 9.4633 9.4633 10.3402 10.3402 10.7890 10.7890 k = 0.4857 0.0890 0.2050 ( 8051 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6518 -22.6518 -22.6163 -22.6163 -18.0771 -18.0771 -18.0647 -18.0647 -16.3513 -16.3513 -16.2848 -16.2848 -8.5103 -8.5103 -7.9567 -7.9567 -6.3298 -6.3298 -6.3038 -6.3038 -6.2571 -6.2571 -5.8219 -5.8219 -5.1360 -5.1360 -4.7248 -4.7248 -4.6971 -4.6971 -4.5001 -4.5001 -4.4445 -4.4445 -4.3815 -4.3815 -3.2491 -3.2491 -1.2005 -1.2005 0.0815 0.0815 0.1201 0.1201 0.2225 0.2225 0.3103 0.3103 0.6335 0.6335 1.1163 1.1163 1.1469 1.1469 1.5018 1.5018 1.7923 1.7923 2.1438 2.1438 4.9832 4.9832 5.2459 5.2459 5.6044 5.6044 8.4038 8.4038 9.4724 9.4724 10.3318 10.3318 10.7952 10.7952 k = 0.5000 0.0916 0.2110 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6517 -22.6517 -22.6163 -22.6163 -18.0770 -18.0770 -18.0648 -18.0648 -16.3511 -16.3511 -16.2849 -16.2849 -8.5105 -8.5105 -7.9566 -7.9566 -6.3302 -6.3302 -6.3032 -6.3032 -6.2577 -6.2577 -5.8217 -5.8217 -5.1354 -5.1354 -4.7225 -4.7225 -4.6999 -4.6999 -4.5001 -4.5001 -4.4446 -4.4446 -4.3812 -4.3812 -3.2488 -3.2488 -1.2010 -1.2010 0.0819 0.0819 0.1202 0.1202 0.2223 0.2223 0.3103 0.3103 0.6336 0.6336 1.1163 1.1163 1.1469 1.1469 1.5016 1.5016 1.7925 1.7925 2.1440 2.1440 4.9836 4.9836 5.2459 5.2459 5.6053 5.6053 8.4038 8.4038 9.4756 9.4756 10.3289 10.3289 10.7978 10.7978 k = 0.5000-0.3777 0.1642 ( 8020 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6574 -22.6574 -22.6045 -22.6045 -18.0907 -18.0907 -18.0769 -18.0769 -16.3855 -16.3855 -16.2426 -16.2426 -8.4150 -8.4150 -7.9853 -7.9853 -6.3631 -6.3631 -6.2301 -6.2301 -6.1052 -6.1052 -5.9840 -5.9840 -5.2857 -5.2857 -4.6396 -4.6396 -4.6045 -4.6045 -4.5014 -4.5014 -4.4758 -4.4758 -4.3815 -4.3815 -3.4103 -3.4103 -0.8380 -0.8380 -0.0256 -0.0256 0.1686 0.1686 0.1898 0.1898 0.2901 0.2901 0.5529 0.5529 0.9770 0.9770 1.1268 1.1268 1.5559 1.5559 1.7089 1.7089 2.1299 2.1299 4.9264 4.9264 5.1595 5.1595 5.5108 5.5108 8.5424 8.5424 10.1226 10.1226 10.4314 10.4314 10.5469 10.5469 k = 0.4878-0.3685 0.1602 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6575 -22.6575 -22.6045 -22.6045 -18.0907 -18.0907 -18.0769 -18.0769 -16.3855 -16.3855 -16.2426 -16.2426 -8.4151 -8.4151 -7.9855 -7.9855 -6.3632 -6.3632 -6.2301 -6.2301 -6.1066 -6.1066 -5.9822 -5.9822 -5.2850 -5.2850 -4.6402 -4.6402 -4.6041 -4.6041 -4.5026 -4.5026 -4.4750 -4.4750 -4.3817 -4.3817 -3.4103 -3.4103 -0.8383 -0.8383 -0.0254 -0.0254 0.1673 0.1673 0.1906 0.1906 0.2907 0.2907 0.5529 0.5529 0.9768 0.9768 1.1269 1.1269 1.5558 1.5558 1.7089 1.7089 2.1299 2.1299 4.9260 4.9260 5.1592 5.1592 5.5105 5.5105 8.5414 8.5414 10.1231 10.1231 10.4325 10.4325 10.5494 10.5494 k = 0.4756-0.3593 0.1562 ( 8023 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6576 -22.6576 -22.6044 -22.6044 -18.0907 -18.0907 -18.0768 -18.0768 -16.3855 -16.3855 -16.2425 -16.2425 -8.4154 -8.4154 -7.9860 -7.9860 -6.3635 -6.3635 -6.2300 -6.2300 -6.1104 -6.1104 -5.9770 -5.9770 -5.2830 -5.2830 -4.6418 -4.6418 -4.6029 -4.6029 -4.5057 -4.5057 -4.4730 -4.4730 -4.3824 -4.3824 -3.4103 -3.4103 -0.8390 -0.8390 -0.0247 -0.0247 0.1639 0.1639 0.1927 0.1927 0.2927 0.2927 0.5528 0.5528 0.9762 0.9762 1.1271 1.1271 1.5557 1.5557 1.7088 1.7088 2.1300 2.1300 4.9248 4.9248 5.1585 5.1585 5.5094 5.5094 8.5383 8.5383 10.1245 10.1245 10.4357 10.4357 10.5570 10.5570 k = 0.4634-0.3501 0.1522 ( 8026 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6577 -22.6577 -22.6043 -22.6043 -18.0908 -18.0908 -18.0766 -18.0766 -16.3855 -16.3855 -16.2424 -16.2424 -8.4159 -8.4159 -7.9868 -7.9868 -6.3640 -6.3640 -6.2300 -6.2300 -6.1161 -6.1161 -5.9691 -5.9691 -5.2796 -5.2796 -4.6443 -4.6443 -4.6012 -4.6012 -4.5100 -4.5100 -4.4705 -4.4705 -4.3834 -4.3834 -3.4102 -3.4102 -0.8402 -0.8402 -0.0237 -0.0237 0.1595 0.1595 0.1950 0.1950 0.2958 0.2958 0.5528 0.5528 0.9753 0.9753 1.1275 1.1275 1.5554 1.5554 1.7086 1.7086 2.1302 2.1302 4.9227 4.9227 5.1573 5.1573 5.5077 5.5077 8.5332 8.5332 10.1270 10.1270 10.4411 10.4411 10.5692 10.5692 k = 0.4512-0.3409 0.1482 ( 8021 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6580 -22.6580 -22.6042 -22.6042 -18.0910 -18.0910 -18.0763 -18.0763 -16.3855 -16.3855 -16.2422 -16.2422 -8.4166 -8.4166 -7.9879 -7.9879 -6.3646 -6.3646 -6.2299 -6.2299 -6.1229 -6.1229 -5.9593 -5.9593 -5.2750 -5.2750 -4.6473 -4.6473 -4.5993 -4.5993 -4.5151 -4.5151 -4.4680 -4.4680 -4.3848 -4.3848 -3.4101 -3.4101 -0.8418 -0.8418 -0.0223 -0.0223 0.1547 0.1547 0.1971 0.1971 0.3000 0.3000 0.5527 0.5527 0.9741 0.9741 1.1280 1.1280 1.5550 1.5550 1.7083 1.7083 2.1304 2.1304 4.9199 4.9199 5.1557 5.1557 5.5054 5.5054 8.5262 8.5262 10.1302 10.1302 10.4489 10.4489 10.5857 10.5857 k = 0.4390-0.3316 0.1442 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6583 -22.6583 -22.6040 -22.6040 -18.0911 -18.0911 -18.0760 -18.0760 -16.3855 -16.3855 -16.2419 -16.2419 -8.4174 -8.4174 -7.9893 -7.9893 -6.3654 -6.3654 -6.2299 -6.2299 -6.1302 -6.1302 -5.9481 -5.9481 -5.2692 -5.2692 -4.6508 -4.6508 -4.5973 -4.5973 -4.5206 -4.5206 -4.4657 -4.4657 -4.3863 -4.3863 -3.4100 -3.4100 -0.8438 -0.8438 -0.0207 -0.0207 0.1499 0.1499 0.1989 0.1989 0.3051 0.3051 0.5527 0.5527 0.9725 0.9725 1.1286 1.1286 1.5545 1.5545 1.7080 1.7080 2.1307 2.1307 4.9162 4.9162 5.1536 5.1536 5.5025 5.5025 8.5174 8.5174 10.1342 10.1342 10.4591 10.4591 10.6057 10.6057 k = 0.4268-0.3224 0.1402 ( 8029 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6586 -22.6586 -22.6038 -22.6038 -18.0913 -18.0913 -18.0756 -18.0756 -16.3855 -16.3855 -16.2416 -16.2416 -8.4184 -8.4184 -7.9910 -7.9910 -6.3664 -6.3664 -6.2297 -6.2297 -6.1376 -6.1376 -5.9362 -5.9362 -5.2624 -5.2624 -4.6546 -4.6546 -4.5956 -4.5956 -4.5264 -4.5264 -4.4639 -4.4639 -4.3880 -4.3880 -3.4098 -3.4098 -0.8463 -0.8463 -0.0190 -0.0190 0.1453 0.1453 0.2003 0.2003 0.3107 0.3107 0.5526 0.5526 0.9708 0.9708 1.1295 1.1295 1.5540 1.5540 1.7077 1.7077 2.1309 2.1309 4.9117 4.9117 5.1512 5.1512 5.4992 5.4992 8.5070 8.5070 10.1387 10.1387 10.4717 10.4717 10.6286 10.6286 k = 0.4146-0.3132 0.1362 ( 8029 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6590 -22.6590 -22.6036 -22.6036 -18.0915 -18.0915 -18.0751 -18.0751 -16.3855 -16.3855 -16.2413 -16.2413 -8.4196 -8.4196 -7.9928 -7.9928 -6.3675 -6.3675 -6.2296 -6.2296 -6.1448 -6.1448 -5.9238 -5.9238 -5.2547 -5.2547 -4.6586 -4.6586 -4.5944 -4.5944 -4.5322 -4.5322 -4.4625 -4.4625 -4.3895 -4.3895 -3.4095 -3.4095 -0.8490 -0.8490 -0.0173 -0.0173 0.1412 0.1412 0.2014 0.2014 0.3168 0.3168 0.5526 0.5526 0.9689 0.9689 1.1304 1.1304 1.5534 1.5534 1.7073 1.7073 2.1311 2.1311 4.9064 4.9064 5.1483 5.1483 5.4955 5.4955 8.4952 8.4952 10.1433 10.1433 10.4868 10.4868 10.6530 10.6530 k = 0.4024-0.3040 0.1322 ( 8031 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6595 -22.6595 -22.6034 -22.6034 -18.0917 -18.0917 -18.0746 -18.0746 -16.3856 -16.3856 -16.2409 -16.2409 -8.4208 -8.4208 -7.9949 -7.9949 -6.3687 -6.3687 -6.2294 -6.2294 -6.1515 -6.1515 -5.9114 -5.9114 -5.2462 -5.2462 -4.6627 -4.6627 -4.5937 -4.5937 -4.5380 -4.5380 -4.4616 -4.4616 -4.3909 -4.3909 -3.4092 -3.4092 -0.8521 -0.8521 -0.0159 -0.0159 0.1378 0.1378 0.2022 0.2022 0.3231 0.3231 0.5526 0.5526 0.9668 0.9668 1.1315 1.1315 1.5528 1.5528 1.7070 1.7070 2.1312 2.1312 4.9004 4.9004 5.1452 5.1452 5.4915 5.4915 8.4821 8.4821 10.1478 10.1478 10.5043 10.5043 10.6776 10.6776 k = 0.3902-0.2948 0.1282 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6600 -22.6600 -22.6031 -22.6031 -18.0920 -18.0920 -18.0740 -18.0740 -16.3856 -16.3856 -16.2405 -16.2405 -8.4221 -8.4221 -7.9970 -7.9970 -6.3700 -6.3700 -6.2292 -6.2292 -6.1575 -6.1575 -5.8991 -5.8991 -5.2372 -5.2372 -4.6668 -4.6668 -4.5937 -4.5937 -4.5437 -4.5437 -4.4611 -4.4611 -4.3919 -4.3919 -3.4088 -3.4088 -0.8553 -0.8553 -0.0147 -0.0147 0.1350 0.1350 0.2029 0.2029 0.3294 0.3294 0.5527 0.5527 0.9648 0.9648 1.1328 1.1328 1.5523 1.5523 1.7067 1.7067 2.1312 2.1312 4.8935 4.8935 5.1417 5.1417 5.4873 5.4873 8.4680 8.4680 10.1516 10.1516 10.5241 10.5241 10.7000 10.7000 k = 0.3780-0.2856 0.1242 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6606 -22.6606 -22.6028 -22.6028 -18.0923 -18.0923 -18.0733 -18.0733 -16.3857 -16.3857 -16.2401 -16.2401 -8.4234 -8.4234 -7.9992 -7.9992 -6.3715 -6.3715 -6.2290 -6.2290 -6.1626 -6.1626 -5.8873 -5.8873 -5.2279 -5.2279 -4.6710 -4.6710 -4.5946 -4.5946 -4.5491 -4.5491 -4.4610 -4.4610 -4.3927 -4.3927 -3.4084 -3.4084 -0.8588 -0.8588 -0.0141 -0.0141 0.1331 0.1331 0.2034 0.2034 0.3357 0.3357 0.5528 0.5528 0.9629 0.9629 1.1343 1.1343 1.5518 1.5518 1.7065 1.7065 2.1310 2.1310 4.8859 4.8859 5.1380 5.1380 5.4830 5.4830 8.4531 8.4531 10.1540 10.1540 10.5461 10.5461 10.7172 10.7172 k = 0.3659-0.2764 0.1202 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6612 -22.6612 -22.6025 -22.6025 -18.0925 -18.0925 -18.0726 -18.0726 -16.3858 -16.3858 -16.2396 -16.2396 -8.4247 -8.4247 -8.0014 -8.0014 -6.3730 -6.3730 -6.2289 -6.2289 -6.1669 -6.1669 -5.8760 -5.8760 -5.2186 -5.2186 -4.6752 -4.6752 -4.5964 -4.5964 -4.5541 -4.5541 -4.4609 -4.4609 -4.3931 -4.3931 -3.4079 -3.4079 -0.8624 -0.8624 -0.0140 -0.0140 0.1319 0.1319 0.2039 0.2039 0.3418 0.3418 0.5530 0.5530 0.9611 0.9611 1.1358 1.1358 1.5513 1.5513 1.7063 1.7063 2.1307 2.1307 4.8777 4.8777 5.1342 5.1342 5.4788 5.4788 8.4375 8.4375 10.1541 10.1541 10.5701 10.5701 10.7267 10.7267 k = 0.3537-0.2672 0.1162 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6618 -22.6618 -22.6021 -22.6021 -18.0928 -18.0928 -18.0718 -18.0718 -16.3859 -16.3859 -16.2392 -16.2392 -8.4260 -8.4260 -8.0036 -8.0036 -6.3746 -6.3746 -6.2288 -6.2288 -6.1701 -6.1701 -5.8655 -5.8655 -5.2094 -5.2094 -4.6793 -4.6793 -4.5991 -4.5991 -4.5589 -4.5589 -4.4608 -4.4608 -4.3932 -4.3932 -3.4073 -3.4073 -0.8662 -0.8662 -0.0145 -0.0145 0.1315 0.1315 0.2045 0.2045 0.3476 0.3476 0.5533 0.5533 0.9597 0.9597 1.1375 1.1375 1.5510 1.5510 1.7062 1.7062 2.1300 2.1300 4.8687 4.8687 5.1303 5.1303 5.4746 5.4746 8.4214 8.4214 10.1509 10.1509 10.5960 10.5960 10.7277 10.7277 k = 0.3415-0.2579 0.1122 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6625 -22.6625 -22.6017 -22.6017 -18.0931 -18.0931 -18.0709 -18.0709 -16.3861 -16.3861 -16.2387 -16.2387 -8.4273 -8.4273 -8.0058 -8.0058 -6.3762 -6.3762 -6.2287 -6.2287 -6.1722 -6.1722 -5.8559 -5.8559 -5.2007 -5.2007 -4.6833 -4.6833 -4.6026 -4.6026 -4.5633 -4.5633 -4.4605 -4.4605 -4.3931 -4.3931 -3.4066 -3.4066 -0.8700 -0.8700 -0.0157 -0.0157 0.1317 0.1317 0.2052 0.2052 0.3532 0.3532 0.5537 0.5537 0.9586 0.9586 1.1394 1.1394 1.5508 1.5508 1.7063 1.7063 2.1291 2.1291 4.8592 4.8592 5.1262 5.1262 5.4705 5.4705 8.4051 8.4051 10.1433 10.1433 10.6234 10.6234 10.7231 10.7231 k = 0.3293-0.2487 0.1082 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6632 -22.6632 -22.6014 -22.6014 -18.0933 -18.0933 -18.0700 -18.0700 -16.3863 -16.3863 -16.2382 -16.2382 -8.4284 -8.4284 -8.0078 -8.0078 -6.3779 -6.3779 -6.2288 -6.2288 -6.1731 -6.1731 -5.8473 -5.8473 -5.1927 -5.1927 -4.6872 -4.6872 -4.6067 -4.6067 -4.5673 -4.5673 -4.4599 -4.4599 -4.3928 -4.3928 -3.4058 -3.4058 -0.8737 -0.8737 -0.0175 -0.0175 0.1324 0.1324 0.2060 0.2060 0.3584 0.3584 0.5541 0.5541 0.9580 0.9580 1.1414 1.1414 1.5508 1.5508 1.7065 1.7065 2.1278 2.1278 4.8491 4.8491 5.1222 5.1222 5.4667 5.4667 8.3887 8.3887 10.1302 10.1302 10.6518 10.6518 10.7174 10.7174 k = 0.3171-0.2395 0.1041 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6639 -22.6639 -22.6010 -22.6010 -18.0936 -18.0936 -18.0690 -18.0690 -16.3865 -16.3865 -16.2378 -16.2378 -8.4294 -8.4294 -8.0096 -8.0096 -6.3797 -6.3797 -6.2289 -6.2289 -6.1729 -6.1729 -5.8399 -5.8399 -5.1859 -5.1859 -4.6908 -4.6908 -4.6112 -4.6112 -4.5709 -4.5709 -4.4588 -4.4588 -4.3925 -4.3925 -3.4049 -3.4049 -0.8775 -0.8775 -0.0200 -0.0200 0.1335 0.1335 0.2071 0.2071 0.3633 0.3633 0.5546 0.5546 0.9581 0.9581 1.1435 1.1435 1.5510 1.5510 1.7068 1.7068 2.1260 2.1260 4.8386 4.8386 5.1181 5.1181 5.4632 5.4632 8.3723 8.3723 10.1110 10.1110 10.6789 10.6789 10.7163 10.7163 k = 0.3049-0.2303 0.1001 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6647 -22.6647 -22.6006 -22.6006 -18.0939 -18.0939 -18.0679 -18.0679 -16.3868 -16.3868 -16.2374 -16.2374 -8.4304 -8.4304 -8.0112 -8.0112 -6.3814 -6.3814 -6.2291 -6.2291 -6.1715 -6.1715 -5.8337 -5.8337 -5.1804 -5.1804 -4.6941 -4.6941 -4.6160 -4.6160 -4.5740 -4.5740 -4.4573 -4.4573 -4.3921 -4.3921 -3.4040 -3.4040 -0.8812 -0.8812 -0.0230 -0.0230 0.1348 0.1348 0.2084 0.2084 0.3679 0.3679 0.5552 0.5552 0.9588 0.9588 1.1458 1.1458 1.5514 1.5514 1.7073 1.7073 2.1238 2.1238 4.8278 4.8278 5.1141 5.1141 5.4600 5.4600 8.3562 8.3562 10.0853 10.0853 10.6964 10.6964 10.7303 10.7303 k = 0.2927-0.2211 0.0961 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6655 -22.6655 -22.6002 -22.6002 -18.0941 -18.0941 -18.0669 -18.0669 -16.3871 -16.3871 -16.2369 -16.2369 -8.4311 -8.4311 -8.0126 -8.0126 -6.3832 -6.3832 -6.2292 -6.2292 -6.1691 -6.1691 -5.8288 -5.8288 -5.1766 -5.1766 -4.6970 -4.6970 -4.6210 -4.6210 -4.5765 -4.5765 -4.4555 -4.4555 -4.3917 -4.3917 -3.4029 -3.4029 -0.8848 -0.8848 -0.0267 -0.0267 0.1363 0.1363 0.2100 0.2100 0.3722 0.3722 0.5557 0.5557 0.9603 0.9603 1.1481 1.1481 1.5520 1.5520 1.7080 1.7080 2.1211 2.1211 4.8167 4.8167 5.1102 5.1102 5.4571 5.4571 8.3404 8.3404 10.0535 10.0535 10.7053 10.7053 10.7592 10.7592 k = 0.2805-0.2119 0.0921 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6662 -22.6662 -22.5998 -22.5998 -18.0943 -18.0943 -18.0657 -18.0657 -16.3875 -16.3875 -16.2365 -16.2365 -8.4316 -8.4316 -8.0137 -8.0137 -6.3850 -6.3850 -6.2293 -6.2293 -6.1657 -6.1657 -5.8252 -5.8252 -5.1747 -5.1747 -4.6993 -4.6993 -4.6259 -4.6259 -4.5783 -4.5783 -4.4533 -4.4533 -4.3914 -4.3914 -3.4017 -3.4017 -0.8883 -0.8883 -0.0309 -0.0309 0.1379 0.1379 0.2118 0.2118 0.3761 0.3761 0.5562 0.5562 0.9626 0.9626 1.1505 1.1505 1.5528 1.5528 1.7088 1.7088 2.1178 2.1178 4.8055 4.8055 5.1063 5.1063 5.4547 5.4547 8.3251 8.3251 10.0161 10.0161 10.7156 10.7156 10.7930 10.7930 k = 0.2683-0.2027 0.0881 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6670 -22.6670 -22.5994 -22.5994 -18.0946 -18.0946 -18.0646 -18.0646 -16.3879 -16.3879 -16.2362 -16.2362 -8.4320 -8.4320 -8.0144 -8.0144 -6.3867 -6.3867 -6.2292 -6.2292 -6.1614 -6.1614 -5.8230 -5.8230 -5.1751 -5.1751 -4.7011 -4.7011 -4.6306 -4.6306 -4.5794 -4.5794 -4.4508 -4.4508 -4.3913 -4.3913 -3.4004 -3.4004 -0.8917 -0.8917 -0.0357 -0.0357 0.1395 0.1395 0.2140 0.2140 0.3798 0.3798 0.5567 0.5567 0.9658 0.9658 1.1530 1.1530 1.5539 1.5539 1.7099 1.7099 2.1140 2.1140 4.7944 4.7944 5.1024 5.1024 5.4527 5.4527 8.3104 8.3104 9.9742 9.9742 10.7295 10.7295 10.8289 10.8289 k = 0.2561-0.1935 0.0841 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6678 -22.6678 -22.5991 -22.5991 -18.0948 -18.0948 -18.0634 -18.0634 -16.3883 -16.3883 -16.2358 -16.2358 -8.4322 -8.4322 -8.0149 -8.0149 -6.3885 -6.3885 -6.2289 -6.2289 -6.1562 -6.1562 -5.8221 -5.8221 -5.1777 -5.1777 -4.7023 -4.7023 -4.6349 -4.6349 -4.5796 -4.5796 -4.4482 -4.4482 -4.3912 -4.3912 -3.3991 -3.3991 -0.8949 -0.8949 -0.0410 -0.0410 0.1410 0.1410 0.2164 0.2164 0.3832 0.3832 0.5571 0.5571 0.9700 0.9700 1.1555 1.1555 1.5552 1.5552 1.7111 1.7111 2.1095 2.1095 4.7834 4.7834 5.0986 5.0986 5.4511 5.4511 8.2964 8.2964 9.9287 9.9287 10.7469 10.7469 10.8661 10.8661 k = 0.2439-0.1842 0.0801 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6686 -22.6686 -22.5987 -22.5987 -18.0949 -18.0949 -18.0622 -18.0622 -16.3888 -16.3888 -16.2356 -16.2356 -8.4321 -8.4321 -8.0150 -8.0150 -6.3902 -6.3902 -6.2283 -6.2283 -6.1503 -6.1503 -5.8225 -5.8225 -5.1827 -5.1827 -4.7028 -4.7028 -4.6388 -4.6388 -4.5790 -4.5790 -4.4454 -4.4454 -4.3913 -4.3913 -3.3976 -3.3976 -0.8979 -0.8979 -0.0468 -0.0468 0.1426 0.1426 0.2191 0.2191 0.3863 0.3863 0.5574 0.5574 0.9751 0.9751 1.1580 1.1580 1.5567 1.5567 1.7125 1.7125 2.1045 2.1045 4.7727 4.7727 5.0947 5.0947 5.4500 5.4500 8.2831 8.2831 9.8807 9.8807 10.7669 10.7669 10.9046 10.9046 k = 0.2317-0.1750 0.0761 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6694 -22.6694 -22.5983 -22.5983 -18.0951 -18.0951 -18.0610 -18.0610 -16.3894 -16.3894 -16.2353 -16.2353 -8.4319 -8.4319 -8.0148 -8.0148 -6.3919 -6.3919 -6.2276 -6.2276 -6.1438 -6.1438 -5.8242 -5.8242 -5.1902 -5.1902 -4.7028 -4.7028 -4.6419 -4.6419 -4.5776 -4.5776 -4.4426 -4.4426 -4.3915 -4.3915 -3.3961 -3.3961 -0.9007 -0.9007 -0.0531 -0.0531 0.1442 0.1442 0.2221 0.2221 0.3890 0.3890 0.5576 0.5576 0.9812 0.9812 1.1605 1.1605 1.5584 1.5584 1.7142 1.7142 2.0988 2.0988 4.7623 4.7623 5.0909 5.0909 5.4493 5.4493 8.2708 8.2708 9.8311 9.8311 10.7889 10.7889 10.9441 10.9441 k = 0.2195-0.1658 0.0721 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6702 -22.6702 -22.5979 -22.5979 -18.0953 -18.0953 -18.0597 -18.0597 -16.3900 -16.3900 -16.2351 -16.2351 -8.4315 -8.4315 -8.0143 -8.0143 -6.3935 -6.3935 -6.2265 -6.2265 -6.1366 -6.1366 -5.8270 -5.8270 -5.1999 -5.1999 -4.7025 -4.7025 -4.6443 -4.6443 -4.5755 -4.5755 -4.4399 -4.4399 -4.3917 -4.3917 -3.3945 -3.3945 -0.9033 -0.9033 -0.0598 -0.0598 0.1458 0.1458 0.2254 0.2254 0.3914 0.3914 0.5577 0.5577 0.9883 0.9883 1.1629 1.1629 1.5603 1.5603 1.7160 1.7160 2.0925 2.0925 4.7524 4.7524 5.0870 5.0870 5.4491 5.4491 8.2593 8.2593 9.7805 9.7805 10.8119 10.8119 10.9845 10.9845 k = 0.2073-0.1566 0.0681 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6709 -22.6709 -22.5976 -22.5976 -18.0954 -18.0954 -18.0585 -18.0585 -16.3906 -16.3906 -16.2349 -16.2349 -8.4308 -8.4308 -8.0134 -8.0134 -6.3951 -6.3951 -6.2252 -6.2252 -6.1288 -6.1288 -5.8309 -5.8309 -5.2118 -5.2118 -4.7019 -4.7019 -4.6456 -4.6456 -4.5727 -4.5727 -4.4372 -4.4372 -4.3921 -4.3921 -3.3929 -3.3929 -0.9057 -0.9057 -0.0670 -0.0670 0.1474 0.1474 0.2290 0.2290 0.3935 0.3935 0.5576 0.5576 0.9961 0.9961 1.1653 1.1653 1.5623 1.5623 1.7180 1.7180 2.0856 2.0856 4.7430 4.7430 5.0830 5.0830 5.4493 5.4493 8.2487 8.2487 9.7296 9.7296 10.8353 10.8353 11.0257 11.0257 k = 0.1951-0.1474 0.0641 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6717 -22.6717 -22.5972 -22.5972 -18.0955 -18.0955 -18.0572 -18.0572 -16.3912 -16.3912 -16.2347 -16.2347 -8.4300 -8.4300 -8.0122 -8.0122 -6.3966 -6.3966 -6.2237 -6.2237 -6.1207 -6.1207 -5.8357 -5.8357 -5.2256 -5.2256 -4.7015 -4.7015 -4.6458 -4.6458 -4.5693 -4.5693 -4.4347 -4.4347 -4.3925 -4.3925 -3.3912 -3.3912 -0.9079 -0.9079 -0.0746 -0.0746 0.1491 0.1491 0.2329 0.2329 0.3951 0.3951 0.5574 0.5574 1.0048 1.0048 1.1675 1.1675 1.5645 1.5645 1.7203 1.7203 2.0781 2.0781 4.7343 4.7343 5.0790 5.0790 5.4499 5.4499 8.2392 8.2392 9.6790 9.6790 10.8584 10.8584 11.0677 11.0677 k = 0.1829-0.1382 0.0601 ( 8049 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6724 -22.6724 -22.5969 -22.5969 -18.0956 -18.0956 -18.0560 -18.0560 -16.3918 -16.3918 -16.2346 -16.2346 -8.4291 -8.4291 -8.0108 -8.0108 -6.3980 -6.3980 -6.2220 -6.2220 -6.1121 -6.1121 -5.8413 -5.8413 -5.2411 -5.2411 -4.7012 -4.7012 -4.6449 -4.6449 -4.5654 -4.5654 -4.4324 -4.4324 -4.3929 -4.3929 -3.3895 -3.3895 -0.9099 -0.9099 -0.0824 -0.0824 0.1508 0.1508 0.2372 0.2372 0.3963 0.3963 0.5572 0.5572 1.0143 1.0143 1.1696 1.1696 1.5668 1.5668 1.7227 1.7227 2.0701 2.0701 4.7263 4.7263 5.0748 5.0748 5.4510 5.4510 8.2306 8.2306 9.6292 9.6292 10.8807 10.8807 11.1100 11.1100 k = 0.1707-0.1290 0.0561 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6730 -22.6730 -22.5966 -22.5966 -18.0956 -18.0956 -18.0548 -18.0548 -16.3925 -16.3925 -16.2346 -16.2346 -8.4280 -8.4280 -8.0091 -8.0091 -6.3994 -6.3994 -6.2200 -6.2200 -6.1032 -6.1032 -5.8475 -5.8475 -5.2579 -5.2579 -4.7012 -4.7012 -4.6427 -4.6427 -4.5613 -4.5613 -4.4305 -4.4305 -4.3933 -4.3933 -3.3878 -3.3878 -0.9117 -0.9117 -0.0904 -0.0904 0.1526 0.1526 0.2417 0.2417 0.3971 0.3971 0.5568 0.5568 1.0243 1.0243 1.1716 1.1716 1.5691 1.5691 1.7253 1.7253 2.0616 2.0616 4.7190 4.7190 5.0707 5.0707 5.4524 5.4524 8.2231 8.2231 9.5805 9.5805 10.9016 10.9016 11.1521 11.1521 k = 0.1585-0.1198 0.0521 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6737 -22.6737 -22.5963 -22.5963 -18.0957 -18.0957 -18.0536 -18.0536 -16.3932 -16.3932 -16.2345 -16.2345 -8.4268 -8.4268 -8.0071 -8.0071 -6.4006 -6.4006 -6.2179 -6.2179 -6.0941 -6.0941 -5.8542 -5.8542 -5.2757 -5.2757 -4.7016 -4.7016 -4.6395 -4.6395 -4.5571 -4.5571 -4.4289 -4.4289 -4.3935 -4.3935 -3.3861 -3.3861 -0.9133 -0.9133 -0.0986 -0.0986 0.1545 0.1545 0.2465 0.2465 0.3974 0.3974 0.5563 0.5563 1.0348 1.0348 1.1734 1.1734 1.5715 1.5715 1.7281 1.7281 2.0528 2.0528 4.7124 4.7124 5.0664 5.0664 5.4541 5.4541 8.2166 8.2166 9.5333 9.5333 10.9209 10.9209 11.1927 11.1927 k = 0.1463-0.1105 0.0481 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6743 -22.6743 -22.5960 -22.5960 -18.0957 -18.0957 -18.0525 -18.0525 -16.3938 -16.3938 -16.2345 -16.2345 -8.4255 -8.4255 -8.0051 -8.0051 -6.4018 -6.4018 -6.2156 -6.2156 -6.0849 -6.0849 -5.8611 -5.8611 -5.2943 -5.2943 -4.7022 -4.7022 -4.6354 -4.6354 -4.5529 -4.5529 -4.4276 -4.4276 -4.3935 -4.3935 -3.3844 -3.3844 -0.9146 -0.9146 -0.1068 -0.1068 0.1564 0.1564 0.2516 0.2516 0.3972 0.3972 0.5558 0.5558 1.0457 1.0457 1.1749 1.1749 1.5739 1.5739 1.7311 1.7311 2.0437 2.0437 4.7066 4.7066 5.0621 5.0621 5.4560 5.4560 8.2110 8.2110 9.4880 9.4880 10.9384 10.9384 11.2247 11.2247 k = 0.1341-0.1013 0.0441 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6749 -22.6749 -22.5957 -22.5957 -18.0957 -18.0957 -18.0514 -18.0514 -16.3945 -16.3945 -16.2345 -16.2345 -8.4242 -8.4242 -8.0029 -8.0029 -6.4029 -6.4029 -6.2133 -6.2133 -6.0757 -6.0757 -5.8680 -5.8680 -5.3133 -5.3133 -4.7030 -4.7030 -4.6307 -4.6307 -4.5489 -4.5489 -4.4268 -4.4268 -4.3932 -4.3932 -3.3828 -3.3828 -0.9158 -0.9158 -0.1148 -0.1148 0.1582 0.1582 0.2570 0.2570 0.3966 0.3966 0.5552 0.5552 1.0568 1.0568 1.1762 1.1762 1.5763 1.5763 1.7342 1.7342 2.0343 2.0343 4.7015 4.7015 5.0579 5.0579 5.4582 5.4582 8.2064 8.2064 9.4449 9.4449 10.9540 10.9540 11.2286 11.2286 k = 0.1220-0.0921 0.0401 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6754 -22.6754 -22.5955 -22.5955 -18.0957 -18.0957 -18.0504 -18.0504 -16.3951 -16.3951 -16.2345 -16.2345 -8.4229 -8.4229 -8.0007 -8.0007 -6.4038 -6.4038 -6.2108 -6.2108 -6.0668 -6.0668 -5.8747 -5.8747 -5.3323 -5.3323 -4.7039 -4.7039 -4.6253 -4.6253 -4.5453 -4.5453 -4.4263 -4.4263 -4.3928 -4.3928 -3.3813 -3.3813 -0.9169 -0.9169 -0.1227 -0.1227 0.1601 0.1601 0.2625 0.2625 0.3954 0.3954 0.5545 0.5545 1.0680 1.0680 1.1771 1.1771 1.5785 1.5785 1.7374 1.7374 2.0249 2.0249 4.6971 4.6971 5.0536 5.0536 5.4604 5.4604 8.2027 8.2027 9.4043 9.4043 10.9676 10.9676 11.2177 11.2177 k = 0.1098-0.0829 0.0361 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6759 -22.6759 -22.5953 -22.5953 -18.0957 -18.0957 -18.0494 -18.0494 -16.3957 -16.3957 -16.2346 -16.2346 -8.4215 -8.4215 -7.9984 -7.9984 -6.4047 -6.4047 -6.2084 -6.2084 -6.0583 -6.0583 -5.8810 -5.8810 -5.3511 -5.3511 -4.7049 -4.7049 -4.6197 -4.6197 -4.5423 -4.5423 -4.4260 -4.4260 -4.3922 -4.3922 -3.3799 -3.3799 -0.9177 -0.9177 -0.1302 -0.1302 0.1619 0.1619 0.2681 0.2681 0.3939 0.3939 0.5539 0.5539 1.0791 1.0791 1.1777 1.1777 1.5807 1.5807 1.7408 1.7408 2.0156 2.0156 4.6934 4.6934 5.0495 5.0495 5.4627 5.4627 8.1998 8.1998 9.3664 9.3664 10.9793 10.9793 11.2039 11.2039 k = 0.0976-0.0737 0.0320 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6764 -22.6764 -22.5951 -22.5951 -18.0957 -18.0957 -18.0485 -18.0485 -16.3962 -16.3962 -16.2346 -16.2346 -8.4203 -8.4203 -7.9962 -7.9962 -6.4055 -6.4055 -6.2060 -6.2060 -6.0504 -6.0504 -5.8867 -5.8867 -5.3692 -5.3692 -4.7058 -4.7058 -4.6138 -4.6138 -4.5399 -4.5399 -4.4259 -4.4259 -4.3914 -4.3914 -3.3785 -3.3785 -0.9184 -0.9184 -0.1372 -0.1372 0.1636 0.1636 0.2739 0.2739 0.3920 0.3920 0.5533 0.5533 1.0900 1.0900 1.1778 1.1778 1.5827 1.5827 1.7442 1.7442 2.0064 2.0064 4.6903 4.6903 5.0455 5.0455 5.4650 5.4650 8.1976 8.1976 9.3316 9.3316 10.9892 10.9892 11.1894 11.1894 k = 0.0854-0.0645 0.0280 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6768 -22.6768 -22.5949 -22.5949 -18.0957 -18.0957 -18.0477 -18.0477 -16.3968 -16.3968 -16.2347 -16.2347 -8.4190 -8.4190 -7.9941 -7.9941 -6.4062 -6.4062 -6.2037 -6.2037 -6.0432 -6.0432 -5.8915 -5.8915 -5.3864 -5.3864 -4.7067 -4.7067 -4.6078 -4.6078 -4.5382 -4.5382 -4.4259 -4.4259 -4.3906 -4.3906 -3.3773 -3.3773 -0.9190 -0.9190 -0.1437 -0.1437 0.1652 0.1652 0.2796 0.2796 0.3897 0.3897 0.5527 0.5527 1.1006 1.1006 1.1776 1.1776 1.5845 1.5845 1.7475 1.7475 1.9977 1.9977 4.6878 4.6878 5.0418 5.0418 5.4672 5.4672 8.1961 8.1961 9.3002 9.3002 10.9975 10.9975 11.1751 11.1751 k = 0.0732-0.0553 0.0240 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6772 -22.6772 -22.5947 -22.5947 -18.0957 -18.0957 -18.0470 -18.0470 -16.3972 -16.3972 -16.2347 -16.2347 -8.4179 -8.4179 -7.9921 -7.9921 -6.4068 -6.4068 -6.2016 -6.2016 -6.0370 -6.0370 -5.8954 -5.8954 -5.4023 -5.4023 -4.7075 -4.7075 -4.6018 -4.6018 -4.5374 -4.5374 -4.4259 -4.4259 -4.3898 -4.3898 -3.3762 -3.3762 -0.9195 -0.9195 -0.1496 -0.1496 0.1667 0.1667 0.2852 0.2852 0.3871 0.3871 0.5521 0.5521 1.1106 1.1106 1.1769 1.1769 1.5861 1.5861 1.7508 1.7508 1.9896 1.9896 4.6858 4.6858 5.0384 5.0384 5.4693 5.4693 8.1951 8.1951 9.2723 9.2723 11.0043 11.0043 11.1616 11.1616 k = 0.0610-0.0461 0.0200 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6775 -22.6775 -22.5946 -22.5946 -18.0957 -18.0957 -18.0464 -18.0464 -16.3976 -16.3976 -16.2348 -16.2348 -8.4169 -8.4169 -7.9904 -7.9904 -6.4073 -6.4073 -6.1996 -6.1996 -6.0319 -6.0319 -5.8983 -5.8983 -5.4166 -5.4166 -4.7082 -4.7082 -4.5961 -4.5961 -4.5373 -4.5373 -4.4259 -4.4259 -4.3890 -4.3890 -3.3753 -3.3753 -0.9198 -0.9198 -0.1547 -0.1547 0.1680 0.1680 0.2905 0.2905 0.3845 0.3845 0.5516 0.5516 1.1201 1.1201 1.1756 1.1756 1.5874 1.5874 1.7538 1.7538 1.9822 1.9822 4.6842 4.6842 5.0354 5.0354 5.4712 5.4712 8.1945 8.1945 9.2482 9.2482 11.0099 11.0099 11.1493 11.1493 k = 0.0488-0.0368 0.0160 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6777 -22.6777 -22.5945 -22.5945 -18.0957 -18.0957 -18.0459 -18.0459 -16.3980 -16.3980 -16.2348 -16.2348 -8.4161 -8.4161 -7.9889 -7.9889 -6.4077 -6.4077 -6.1979 -6.1979 -6.0279 -6.0279 -5.9002 -5.9002 -5.4289 -5.4289 -4.7088 -4.7088 -4.5907 -4.5907 -4.5378 -4.5378 -4.4258 -4.4258 -4.3883 -4.3883 -3.3745 -3.3745 -0.9201 -0.9201 -0.1590 -0.1590 0.1691 0.1691 0.2953 0.2953 0.3818 0.3818 0.5512 0.5512 1.1289 1.1289 1.1738 1.1738 1.5886 1.5886 1.7566 1.7566 1.9757 1.9757 4.6831 4.6831 5.0328 5.0328 5.4728 5.4728 8.1942 8.1942 9.2282 9.2282 11.0143 11.0143 11.1386 11.1386 k = 0.0366-0.0276 0.0120 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6779 -22.6779 -22.5944 -22.5944 -18.0956 -18.0956 -18.0455 -18.0455 -16.3982 -16.3982 -16.2349 -16.2349 -8.4154 -8.4154 -7.9877 -7.9877 -6.4080 -6.4080 -6.1965 -6.1965 -6.0250 -6.0250 -5.9013 -5.9013 -5.4388 -5.4388 -4.7093 -4.7093 -4.5860 -4.5860 -4.5388 -4.5388 -4.4257 -4.4257 -4.3877 -4.3877 -3.3738 -3.3738 -0.9203 -0.9203 -0.1624 -0.1624 0.1700 0.1700 0.2995 0.2995 0.3793 0.3793 0.5509 0.5509 1.1367 1.1367 1.1714 1.1714 1.5895 1.5895 1.7589 1.7589 1.9705 1.9705 4.6822 4.6822 5.0308 5.0308 5.4741 5.4741 8.1940 8.1940 9.2124 9.2124 11.0177 11.0177 11.1299 11.1299 k = 0.0244-0.0184 0.0080 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0452 -18.0452 -16.3984 -16.3984 -16.2349 -16.2349 -8.4149 -8.4149 -7.9868 -7.9868 -6.4082 -6.4082 -6.1954 -6.1954 -6.0231 -6.0231 -5.9019 -5.9019 -5.4462 -5.4462 -4.7096 -4.7096 -4.5822 -4.5822 -4.5400 -4.5400 -4.4256 -4.4256 -4.3873 -4.3873 -3.3734 -3.3734 -0.9204 -0.9204 -0.1649 -0.1649 0.1706 0.1706 0.3028 0.3028 0.3773 0.3773 0.5507 0.5507 1.1436 1.1436 1.1686 1.1686 1.5902 1.5902 1.7606 1.7606 1.9665 1.9665 4.6816 4.6816 5.0292 5.0292 5.4751 5.4751 8.1940 8.1940 9.2010 9.2010 11.0202 11.0202 11.1235 11.1235 k = 0.0122-0.0092 0.0040 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3985 -16.3985 -16.2349 -16.2349 -8.4146 -8.4146 -7.9863 -7.9863 -6.4084 -6.4084 -6.1948 -6.1948 -6.0220 -6.0220 -5.9021 -5.9021 -5.4507 -5.4507 -4.7098 -4.7098 -4.5796 -4.5796 -4.5409 -4.5409 -4.4255 -4.4255 -4.3870 -4.3870 -3.3731 -3.3731 -0.9205 -0.9205 -0.1664 -0.1664 0.1710 0.1710 0.3048 0.3048 0.3760 0.3760 0.5505 0.5505 1.1489 1.1489 1.1657 1.1657 1.5906 1.5906 1.7617 1.7617 1.9641 1.9641 4.6813 4.6813 5.0283 5.0283 5.4756 5.4756 8.1941 8.1941 9.1941 9.1941 11.0216 11.0216 11.1195 11.1195 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k =-0.0143-0.0026 0.0062 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4148 -8.4148 -7.9857 -7.9857 -6.4082 -6.4082 -6.1946 -6.1946 -6.0225 -6.0225 -5.9021 -5.9021 -5.4512 -5.4512 -4.7111 -4.7111 -4.5778 -4.5778 -4.5411 -4.5411 -4.4259 -4.4259 -4.3871 -4.3871 -3.3729 -3.3729 -0.9206 -0.9206 -0.1665 -0.1665 0.1711 0.1711 0.3056 0.3056 0.3753 0.3753 0.5507 0.5507 1.1509 1.1509 1.1645 1.1645 1.5905 1.5905 1.7609 1.7609 1.9641 1.9641 4.6822 4.6822 5.0295 5.0295 5.4753 5.4753 8.1942 8.1942 9.1911 9.1911 11.0199 11.0199 11.1163 11.1163 k =-0.0286-0.0052 0.0124 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6780 -22.6780 -22.5944 -22.5944 -18.0956 -18.0956 -18.0451 -18.0451 -16.3987 -16.3987 -16.2349 -16.2349 -8.4159 -8.4159 -7.9846 -7.9846 -6.4076 -6.4076 -6.1948 -6.1948 -6.0250 -6.0250 -5.9019 -5.9019 -5.4483 -5.4483 -4.7144 -4.7144 -4.5753 -4.5753 -4.5406 -4.5406 -4.4273 -4.4273 -4.3875 -4.3875 -3.3726 -3.3726 -0.9209 -0.9209 -0.1653 -0.1653 0.1711 0.1711 0.3058 0.3058 0.3748 0.3748 0.5513 0.5513 1.1496 1.1496 1.1655 1.1655 1.5899 1.5899 1.7574 1.7574 1.9665 1.9665 4.6852 4.6852 5.0338 5.0338 5.4738 5.4738 8.1945 8.1945 9.1889 9.1889 11.0134 11.0134 11.1112 11.1112 k =-0.0429-0.0079 0.0187 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6777 -22.6777 -22.5946 -22.5946 -18.0955 -18.0955 -18.0452 -18.0452 -16.3987 -16.3987 -16.2349 -16.2349 -8.4176 -8.4176 -7.9827 -7.9827 -6.4066 -6.4066 -6.1951 -6.1951 -6.0291 -6.0291 -5.9016 -5.9016 -5.4434 -5.4434 -4.7197 -4.7197 -4.5714 -4.5714 -4.5397 -4.5397 -4.4295 -4.4295 -4.3882 -4.3882 -3.3720 -3.3720 -0.9213 -0.9213 -0.1633 -0.1633 0.1710 0.1710 0.3060 0.3060 0.3740 0.3740 0.5524 0.5524 1.1480 1.1480 1.1669 1.1669 1.5890 1.5890 1.7520 1.7520 1.9702 1.9702 4.6901 4.6901 5.0410 5.0410 5.4713 5.4713 8.1951 8.1951 9.1851 9.1851 11.0024 11.0024 11.1029 11.1029 k =-0.0571-0.0105 0.0249 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6774 -22.6774 -22.5949 -22.5949 -18.0954 -18.0954 -18.0453 -18.0453 -16.3988 -16.3988 -16.2348 -16.2348 -8.4199 -8.4199 -7.9801 -7.9801 -6.4051 -6.4051 -6.1954 -6.1954 -6.0346 -6.0346 -5.9012 -5.9012 -5.4368 -5.4368 -4.7266 -4.7266 -4.5664 -4.5664 -4.5385 -4.5385 -4.4325 -4.4325 -4.3892 -4.3892 -3.3713 -3.3713 -0.9219 -0.9219 -0.1606 -0.1606 0.1709 0.1709 0.3064 0.3064 0.3727 0.3727 0.5540 0.5540 1.1460 1.1460 1.1685 1.1685 1.5877 1.5877 1.7451 1.7451 1.9749 1.9749 4.6970 4.6970 5.0509 5.0509 5.4679 5.4679 8.1959 8.1959 9.1800 9.1800 10.9870 10.9870 11.0924 11.0924 k =-0.0714-0.0131 0.0311 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6770 -22.6770 -22.5952 -22.5952 -18.0953 -18.0953 -18.0455 -18.0455 -16.3990 -16.3990 -16.2347 -16.2347 -8.4228 -8.4228 -7.9769 -7.9769 -6.4033 -6.4033 -6.1959 -6.1959 -6.0414 -6.0414 -5.9007 -5.9007 -5.4286 -5.4286 -4.7348 -4.7348 -4.5607 -4.5607 -4.5370 -4.5370 -4.4364 -4.4364 -4.3904 -4.3904 -3.3704 -3.3704 -0.9227 -0.9227 -0.1571 -0.1571 0.1707 0.1707 0.3068 0.3068 0.3711 0.3711 0.5559 0.5559 1.1439 1.1439 1.1700 1.1700 1.5860 1.5860 1.7372 1.7372 1.9803 1.9803 4.7057 4.7057 5.0633 5.0633 5.4635 5.4635 8.1970 8.1970 9.1733 9.1733 10.9668 10.9668 11.0803 11.0803 k =-0.0857-0.0157 0.0373 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6765 -22.6765 -22.5956 -22.5956 -18.0951 -18.0951 -18.0457 -18.0457 -16.3992 -16.3992 -16.2347 -16.2347 -8.4263 -8.4263 -7.9732 -7.9732 -6.4011 -6.4011 -6.1964 -6.1964 -6.0493 -6.0493 -5.9003 -5.9003 -5.4189 -5.4189 -4.7440 -4.7440 -4.5546 -4.5546 -4.5352 -4.5352 -4.4408 -4.4408 -4.3919 -4.3919 -3.3694 -3.3694 -0.9236 -0.9236 -0.1529 -0.1529 0.1703 0.1703 0.3074 0.3074 0.3690 0.3690 0.5582 0.5582 1.1417 1.1417 1.1715 1.1715 1.5841 1.5841 1.7288 1.7288 1.9860 1.9860 4.7162 4.7162 5.0780 5.0780 5.4584 5.4584 8.1984 8.1984 9.1651 9.1651 10.9419 10.9419 11.0679 11.0679 k =-0.1000-0.0183 0.0436 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6758 -22.6758 -22.5961 -22.5961 -18.0950 -18.0950 -18.0460 -18.0460 -16.3994 -16.3994 -16.2346 -16.2346 -8.4301 -8.4301 -7.9690 -7.9690 -6.3984 -6.3984 -6.1969 -6.1969 -6.0580 -6.0580 -5.8999 -5.8999 -5.4079 -5.4079 -4.7539 -4.7539 -4.5482 -4.5482 -4.5332 -4.5332 -4.4459 -4.4459 -4.3936 -4.3936 -3.3683 -3.3683 -0.9246 -0.9246 -0.1481 -0.1481 0.1698 0.1698 0.3081 0.3081 0.3664 0.3664 0.5609 0.5609 1.1394 1.1394 1.1729 1.1729 1.5818 1.5818 1.7203 1.7203 1.9919 1.9919 4.7284 4.7284 5.0946 5.0946 5.4526 5.4526 8.2002 8.2002 9.1554 9.1554 10.9122 10.9122 11.0558 11.0558 k =-0.1143-0.0209 0.0498 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6751 -22.6751 -22.5967 -22.5967 -18.0948 -18.0948 -18.0462 -18.0462 -16.3996 -16.3996 -16.2344 -16.2344 -8.4344 -8.4344 -7.9644 -7.9644 -6.3954 -6.3954 -6.1975 -6.1975 -6.0675 -6.0675 -5.8997 -5.8997 -5.3959 -5.3959 -4.7645 -4.7645 -4.5419 -4.5419 -4.5310 -4.5310 -4.4514 -4.4514 -4.3955 -4.3955 -3.3670 -3.3670 -0.9258 -0.9258 -0.1426 -0.1426 0.1689 0.1689 0.3089 0.3089 0.3634 0.3634 0.5639 0.5639 1.1371 1.1371 1.1742 1.1742 1.5792 1.5792 1.7124 1.7124 1.9977 1.9977 4.7422 4.7422 5.1129 5.1129 5.4462 5.4462 8.2023 8.2023 9.1443 9.1443 10.8781 10.8781 11.0448 11.0448 k =-0.1286-0.0236 0.0560 ( 8051 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6744 -22.6744 -22.5973 -22.5973 -18.0946 -18.0946 -18.0466 -18.0466 -16.3999 -16.3999 -16.2343 -16.2343 -8.4389 -8.4389 -7.9595 -7.9595 -6.3920 -6.3920 -6.1981 -6.1981 -6.0774 -6.0774 -5.8996 -5.8996 -5.3829 -5.3829 -4.7754 -4.7754 -4.5357 -4.5357 -4.5287 -4.5287 -4.4571 -4.4571 -4.3976 -4.3976 -3.3658 -3.3658 -0.9272 -0.9272 -0.1366 -0.1366 0.1677 0.1677 0.3098 0.3098 0.3599 0.3599 0.5672 0.5672 1.1348 1.1348 1.1752 1.1752 1.5763 1.5763 1.7053 1.7053 2.0033 2.0033 4.7574 4.7574 5.1326 5.1326 5.4394 5.4394 8.2048 8.2048 9.1317 9.1317 10.8401 10.8401 11.0351 11.0351 k =-0.1429-0.0262 0.0622 ( 8056 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6735 -22.6735 -22.5979 -22.5979 -18.0944 -18.0944 -18.0469 -18.0469 -16.4002 -16.4002 -16.2342 -16.2342 -8.4437 -8.4437 -7.9544 -7.9544 -6.3882 -6.3882 -6.1988 -6.1988 -6.0875 -6.0875 -5.8997 -5.8997 -5.3692 -5.3692 -4.7868 -4.7868 -4.5304 -4.5304 -4.5257 -4.5257 -4.4630 -4.4630 -4.3998 -4.3998 -3.3645 -3.3645 -0.9287 -0.9287 -0.1300 -0.1300 0.1659 0.1659 0.3107 0.3107 0.3560 0.3560 0.5708 0.5708 1.1326 1.1326 1.1761 1.1761 1.5732 1.5732 1.6994 1.6994 2.0087 2.0087 4.7739 4.7739 5.1531 5.1531 5.4324 5.4324 8.2079 8.2079 9.1177 9.1177 10.7989 10.7989 11.0270 11.0270 k =-0.1571-0.0288 0.0685 ( 8054 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6726 -22.6726 -22.5987 -22.5987 -18.0941 -18.0941 -18.0473 -18.0473 -16.4005 -16.4005 -16.2340 -16.2340 -8.4486 -8.4486 -7.9492 -7.9492 -6.3841 -6.3841 -6.1996 -6.1996 -6.0976 -6.0976 -5.9002 -5.9002 -5.3549 -5.3549 -4.7983 -4.7983 -4.5271 -4.5271 -4.5211 -4.5211 -4.4689 -4.4689 -4.4022 -4.4022 -3.3632 -3.3632 -0.9302 -0.9302 -0.1230 -0.1230 0.1635 0.1635 0.3118 0.3118 0.3518 0.3518 0.5747 0.5747 1.1303 1.1303 1.1768 1.1768 1.5698 1.5698 1.6950 1.6950 2.0138 2.0138 4.7916 4.7916 5.1740 5.1740 5.4254 5.4254 8.2115 8.2115 9.1023 9.1023 10.7549 10.7549 11.0206 11.0206 k =-0.1714-0.0314 0.0747 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6716 -22.6716 -22.5995 -22.5995 -18.0938 -18.0938 -18.0477 -18.0477 -16.4008 -16.4008 -16.2339 -16.2339 -8.4536 -8.4536 -7.9439 -7.9439 -6.3795 -6.3795 -6.2005 -6.2005 -6.1075 -6.1075 -5.9010 -5.9010 -5.3402 -5.3402 -4.8100 -4.8100 -4.5255 -4.5255 -4.5157 -4.5157 -4.4744 -4.4744 -4.4046 -4.4046 -3.3620 -3.3620 -0.9319 -0.9319 -0.1156 -0.1156 0.1603 0.1603 0.3128 0.3128 0.3475 0.3475 0.5789 0.5789 1.1281 1.1281 1.1773 1.1773 1.5662 1.5662 1.6924 1.6924 2.0186 2.0186 4.8102 4.8102 5.1949 5.1949 5.4190 5.4190 8.2157 8.2157 9.0855 9.0855 10.7089 10.7089 11.0160 11.0160 k =-0.1857-0.0340 0.0809 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6705 -22.6705 -22.6004 -22.6004 -18.0936 -18.0936 -18.0481 -18.0481 -16.4012 -16.4012 -16.2337 -16.2337 -8.4586 -8.4586 -7.9387 -7.9387 -6.3747 -6.3747 -6.2017 -6.2017 -6.1169 -6.1169 -5.9022 -5.9022 -5.3251 -5.3251 -4.8217 -4.8217 -4.5248 -4.5248 -4.5101 -4.5101 -4.4793 -4.4793 -4.4071 -4.4071 -3.3608 -3.3608 -0.9337 -0.9337 -0.1079 -0.1079 0.1562 0.1562 0.3137 0.3137 0.3432 0.3432 0.5833 0.5833 1.1260 1.1260 1.1775 1.1775 1.5624 1.5624 1.6916 1.6916 2.0230 2.0230 4.8294 4.8294 5.2151 5.2151 5.4134 5.4134 8.2206 8.2206 9.0675 9.0675 10.6612 10.6612 11.0133 11.0133 k =-0.2000-0.0366 0.0871 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6693 -22.6693 -22.6013 -22.6013 -18.0933 -18.0933 -18.0486 -18.0486 -16.4015 -16.4015 -16.2335 -16.2335 -8.4636 -8.4636 -7.9335 -7.9335 -6.3694 -6.3694 -6.2032 -6.2032 -6.1256 -6.1256 -5.9038 -5.9038 -5.3099 -5.3099 -4.8335 -4.8335 -4.5252 -4.5252 -4.5049 -4.5049 -4.4833 -4.4833 -4.4096 -4.4096 -3.3597 -3.3597 -0.9355 -0.9355 -0.0999 -0.0999 0.1509 0.1509 0.3143 0.3143 0.3393 0.3393 0.5878 0.5878 1.1239 1.1239 1.1775 1.1775 1.5584 1.5584 1.6928 1.6928 2.0270 2.0270 4.8492 4.8492 5.2338 5.2338 5.4093 5.4093 8.2263 8.2263 9.0482 9.0482 10.6124 10.6124 11.0126 11.0126 k =-0.2143-0.0393 0.0934 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6681 -22.6681 -22.6022 -22.6022 -18.0930 -18.0930 -18.0490 -18.0490 -16.4019 -16.4019 -16.2333 -16.2333 -8.4686 -8.4686 -7.9286 -7.9286 -6.3638 -6.3638 -6.2052 -6.2052 -6.1335 -6.1335 -5.9060 -5.9060 -5.2946 -5.2946 -4.8453 -4.8453 -4.5265 -4.5265 -4.5003 -4.5003 -4.4860 -4.4860 -4.4121 -4.4121 -3.3588 -3.3588 -0.9374 -0.9374 -0.0916 -0.0916 0.1444 0.1444 0.3145 0.3145 0.3362 0.3362 0.5925 0.5925 1.1220 1.1220 1.1773 1.1773 1.5543 1.5543 1.6960 1.6960 2.0308 2.0308 4.8691 4.8691 5.2504 5.2504 5.4074 5.4074 8.2328 8.2328 9.0278 9.0278 10.5629 10.5629 11.0138 11.0138 k =-0.2286-0.0419 0.0996 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6669 -22.6669 -22.6033 -22.6033 -18.0927 -18.0927 -18.0495 -18.0495 -16.4023 -16.4023 -16.2332 -16.2332 -8.4734 -8.4734 -7.9238 -7.9238 -6.3579 -6.3579 -6.2078 -6.2078 -6.1401 -6.1401 -5.9087 -5.9087 -5.2793 -5.2793 -4.8570 -4.8570 -4.5288 -4.5288 -4.4971 -4.4971 -4.4865 -4.4865 -4.4145 -4.4145 -3.3580 -3.3580 -0.9394 -0.9394 -0.0833 -0.0833 0.1366 0.1366 0.3140 0.3140 0.3341 0.3341 0.5974 0.5974 1.1201 1.1201 1.1768 1.1768 1.5501 1.5501 1.7012 1.7012 2.0342 2.0342 4.8888 4.8888 5.2638 5.2638 5.4086 5.4086 8.2401 8.2401 9.0063 9.0063 10.5130 10.5130 11.0170 11.0170 k =-0.2429-0.0445 0.1058 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6656 -22.6656 -22.6043 -22.6043 -18.0923 -18.0923 -18.0500 -18.0500 -16.4027 -16.4027 -16.2330 -16.2330 -8.4781 -8.4781 -7.9192 -7.9192 -6.3516 -6.3516 -6.2111 -6.2111 -6.1455 -6.1455 -5.9119 -5.9119 -5.2642 -5.2642 -4.8685 -4.8685 -4.5318 -4.5318 -4.4962 -4.4962 -4.4843 -4.4843 -4.4169 -4.4169 -3.3573 -3.3573 -0.9413 -0.9413 -0.0749 -0.0749 0.1276 0.1276 0.3129 0.3129 0.3333 0.3333 0.6023 0.6023 1.1184 1.1184 1.1761 1.1761 1.5459 1.5459 1.7082 1.7082 2.0374 2.0374 4.9081 4.9081 5.2737 5.2737 5.4133 5.4133 8.2484 8.2484 8.9839 8.9839 10.4631 10.4631 11.0221 11.0221 k =-0.2571-0.0471 0.1120 ( 8031 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6642 -22.6642 -22.6054 -22.6054 -18.0920 -18.0920 -18.0504 -18.0504 -16.4030 -16.4030 -16.2328 -16.2328 -8.4826 -8.4826 -7.9150 -7.9150 -6.3450 -6.3450 -6.2151 -6.2151 -6.1495 -6.1495 -5.9156 -5.9156 -5.2493 -5.2493 -4.8799 -4.8799 -4.5351 -4.5351 -4.4968 -4.4968 -4.4804 -4.4804 -4.4192 -4.4192 -3.3568 -3.3568 -0.9433 -0.9433 -0.0665 -0.0665 0.1173 0.1173 0.3114 0.3114 0.3335 0.3335 0.6073 0.6073 1.1168 1.1168 1.1751 1.1751 1.5417 1.5417 1.7169 1.7169 2.0403 2.0403 4.9267 4.9267 5.2803 5.2803 5.4214 5.4214 8.2577 8.2577 8.9607 8.9607 10.4136 10.4136 11.0293 11.0293 k =-0.2714-0.0497 0.1183 ( 8032 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6628 -22.6628 -22.6066 -22.6066 -18.0917 -18.0917 -18.0509 -18.0509 -16.4034 -16.4034 -16.2326 -16.2326 -8.4868 -8.4868 -7.9111 -7.9111 -6.3382 -6.3382 -6.2196 -6.2196 -6.1523 -6.1523 -5.9199 -5.9199 -5.2347 -5.2347 -4.8911 -4.8911 -4.5385 -4.5385 -4.4979 -4.4979 -4.4761 -4.4761 -4.4214 -4.4214 -3.3564 -3.3564 -0.9453 -0.9453 -0.0582 -0.0582 0.1059 0.1059 0.3099 0.3099 0.3343 0.3343 0.6124 0.6124 1.1154 1.1154 1.1738 1.1738 1.5376 1.5376 1.7271 1.7271 2.0430 2.0430 4.9440 4.9440 5.2842 5.2842 5.4321 5.4321 8.2680 8.2680 8.9369 8.9369 10.3646 10.3646 11.0383 11.0383 k =-0.2857-0.0523 0.1245 ( 8026 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6614 -22.6614 -22.6078 -22.6078 -18.0914 -18.0914 -18.0514 -18.0514 -16.4038 -16.4038 -16.2324 -16.2324 -8.4909 -8.4909 -7.9074 -7.9074 -6.3311 -6.3311 -6.2245 -6.2245 -6.1541 -6.1541 -5.9247 -5.9247 -5.2205 -5.2205 -4.9020 -4.9020 -4.5417 -4.5417 -4.4992 -4.4992 -4.4719 -4.4719 -4.4234 -4.4234 -3.3562 -3.3562 -0.9472 -0.9472 -0.0503 -0.0503 0.0938 0.0938 0.3085 0.3085 0.3356 0.3356 0.6174 0.6174 1.1142 1.1142 1.1723 1.1723 1.5336 1.5336 1.7386 1.7386 2.0456 2.0456 4.9598 4.9598 5.2868 5.2868 5.4446 5.4446 8.2793 8.2793 8.9125 8.9125 10.3166 10.3166 11.0491 11.0491 k =-0.3000-0.0550 0.1307 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6599 -22.6599 -22.6090 -22.6090 -18.0911 -18.0911 -18.0519 -18.0519 -16.4042 -16.4042 -16.2322 -16.2322 -8.4947 -8.4947 -7.9042 -7.9042 -6.3238 -6.3238 -6.2294 -6.2294 -6.1551 -6.1551 -5.9300 -5.9300 -5.2068 -5.2068 -4.9126 -4.9126 -4.5445 -4.5445 -4.5008 -4.5008 -4.4679 -4.4679 -4.4253 -4.4253 -3.3561 -3.3561 -0.9491 -0.9491 -0.0427 -0.0427 0.0812 0.0812 0.3074 0.3074 0.3371 0.3371 0.6223 0.6223 1.1133 1.1133 1.1705 1.1705 1.5297 1.5297 1.7511 1.7511 2.0479 2.0479 4.9737 4.9737 5.2889 5.2889 5.4578 5.4578 8.2916 8.2916 8.8878 8.8878 10.2698 10.2698 11.0615 11.0615 k =-0.3143-0.0576 0.1369 ( 8026 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6585 -22.6585 -22.6102 -22.6102 -18.0908 -18.0908 -18.0523 -18.0523 -16.4046 -16.4046 -16.2321 -16.2321 -8.4982 -8.4982 -7.9012 -7.9012 -6.3165 -6.3165 -6.2341 -6.2341 -6.1556 -6.1556 -5.9357 -5.9357 -5.1936 -5.1936 -4.9229 -4.9229 -4.5469 -4.5469 -4.5026 -4.5026 -4.4643 -4.4643 -4.4270 -4.4270 -3.3561 -3.3561 -0.9510 -0.9510 -0.0357 -0.0357 0.0686 0.0686 0.3066 0.3066 0.3387 0.3387 0.6272 0.6272 1.1125 1.1125 1.1684 1.1684 1.5261 1.5261 1.7643 1.7643 2.0500 2.0500 4.9854 4.9854 5.2914 5.2914 5.4711 5.4711 8.3050 8.3050 8.8628 8.8628 10.2244 10.2244 11.0755 11.0755 k =-0.3286-0.0602 0.1432 ( 8024 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6570 -22.6570 -22.6115 -22.6115 -18.0905 -18.0905 -18.0528 -18.0528 -16.4049 -16.4049 -16.2319 -16.2319 -8.5015 -8.5015 -7.8986 -7.8986 -6.3093 -6.3093 -6.2382 -6.2382 -6.1557 -6.1557 -5.9418 -5.9418 -5.1809 -5.1809 -4.9327 -4.9327 -4.5487 -4.5487 -4.5046 -4.5046 -4.4613 -4.4613 -4.4283 -4.4283 -3.3563 -3.3563 -0.9528 -0.9528 -0.0298 -0.0298 0.0565 0.0565 0.3061 0.3061 0.3403 0.3403 0.6319 0.6319 1.1121 1.1121 1.1661 1.1661 1.5226 1.5226 1.7781 1.7781 2.0520 2.0520 4.9949 4.9949 5.2948 5.2948 5.4840 5.4840 8.3193 8.3193 8.8378 8.8378 10.1808 10.1808 11.0907 11.0907 k =-0.3429-0.0628 0.1494 ( 8020 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6555 -22.6555 -22.6127 -22.6127 -18.0902 -18.0902 -18.0532 -18.0532 -16.4053 -16.4053 -16.2317 -16.2317 -8.5045 -8.5045 -7.8963 -7.8963 -6.3023 -6.3023 -6.2415 -6.2415 -6.1557 -6.1557 -5.9482 -5.9482 -5.1689 -5.1689 -4.9422 -4.9422 -4.5500 -4.5500 -4.5068 -4.5068 -4.4589 -4.4589 -4.4292 -4.4292 -3.3565 -3.3565 -0.9545 -0.9545 -0.0255 -0.0255 0.0459 0.0459 0.3058 0.3058 0.3419 0.3419 0.6365 0.6365 1.1119 1.1119 1.1635 1.1635 1.5194 1.5194 1.7921 1.7921 2.0539 2.0539 5.0021 5.0021 5.2993 5.2993 5.4960 5.4960 8.3346 8.3346 8.8128 8.8128 10.1391 10.1391 11.1070 11.1070 k =-0.3571-0.0654 0.1556 ( 8022 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6541 -22.6541 -22.6140 -22.6140 -18.0899 -18.0899 -18.0536 -18.0536 -16.4056 -16.4056 -16.2316 -16.2316 -8.5072 -8.5072 -7.8943 -7.8943 -6.2961 -6.2961 -6.2435 -6.2435 -6.1558 -6.1558 -5.9548 -5.9548 -5.1576 -5.1576 -4.9511 -4.9511 -4.5506 -4.5506 -4.5091 -4.5091 -4.4575 -4.4575 -4.4296 -4.4296 -3.3568 -3.3568 -0.9561 -0.9561 -0.0237 -0.0237 0.0376 0.0376 0.3056 0.3056 0.3434 0.3434 0.6408 0.6408 1.1119 1.1119 1.1608 1.1608 1.5164 1.5164 1.8060 1.8060 2.0555 2.0555 5.0071 5.0071 5.3050 5.3050 5.5071 5.5071 8.3506 8.3506 8.7881 8.7881 10.0998 10.0998 11.1241 11.1241 k =-0.3714-0.0680 0.1618 ( 8021 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6526 -22.6526 -22.6152 -22.6152 -18.0896 -18.0896 -18.0540 -18.0540 -16.4059 -16.4059 -16.2314 -16.2314 -8.5097 -8.5097 -7.8926 -7.8926 -6.2911 -6.2911 -6.2437 -6.2437 -6.1560 -6.1560 -5.9615 -5.9615 -5.1470 -5.1470 -4.9596 -4.9596 -4.5507 -4.5507 -4.5114 -4.5114 -4.4569 -4.4569 -4.4293 -4.4293 -3.3572 -3.3572 -0.9576 -0.9576 -0.0252 -0.0252 0.0328 0.0328 0.3056 0.3056 0.3449 0.3449 0.6449 0.6449 1.1122 1.1122 1.1579 1.1579 1.5137 1.5137 1.8196 1.8196 2.0571 2.0571 5.0102 5.0102 5.3116 5.3116 5.5171 5.5171 8.3674 8.3674 8.7638 8.7638 10.0630 10.0630 11.1416 11.1416 k =-0.3857-0.0707 0.1681 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6512 -22.6512 -22.6165 -22.6165 -18.0894 -18.0894 -18.0543 -18.0543 -16.4062 -16.4062 -16.2313 -16.2313 -8.5118 -8.5118 -7.8912 -7.8912 -6.2877 -6.2877 -6.2417 -6.2417 -6.1566 -6.1566 -5.9680 -5.9680 -5.1372 -5.1372 -4.9675 -4.9675 -4.5502 -4.5502 -4.5138 -4.5138 -4.4573 -4.4573 -4.4285 -4.4285 -3.3577 -3.3577 -0.9590 -0.9590 -0.0299 -0.0299 0.0315 0.0315 0.3057 0.3057 0.3462 0.3462 0.6486 0.6486 1.1128 1.1128 1.1548 1.1548 1.5112 1.5112 1.8326 1.8326 2.0585 2.0585 5.0118 5.0118 5.3187 5.3187 5.5260 5.5260 8.3848 8.3848 8.7399 8.7399 10.0291 10.0291 11.1592 11.1592 k =-0.4000-0.0733 0.1743 ( 8011 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6498 -22.6498 -22.6177 -22.6177 -18.0892 -18.0892 -18.0547 -18.0547 -16.4064 -16.4064 -16.2312 -16.2312 -8.5137 -8.5137 -7.8900 -7.8900 -6.2860 -6.2860 -6.2375 -6.2375 -6.1577 -6.1577 -5.9744 -5.9744 -5.1282 -5.1282 -4.9749 -4.9749 -4.5492 -4.5492 -4.5163 -4.5163 -4.4583 -4.4583 -4.4273 -4.4273 -3.3581 -3.3581 -0.9602 -0.9602 -0.0366 -0.0366 0.0327 0.0327 0.3058 0.3058 0.3474 0.3474 0.6521 0.6521 1.1137 1.1137 1.1516 1.1516 1.5091 1.5091 1.8447 1.8447 2.0598 2.0598 5.0121 5.0121 5.3261 5.3261 5.5338 5.5338 8.4026 8.4026 8.7166 8.7166 9.9983 9.9983 11.1764 11.1764 k =-0.4143-0.0759 0.1805 ( 8011 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6486 -22.6486 -22.6188 -22.6188 -18.0890 -18.0890 -18.0549 -18.0549 -16.4066 -16.4066 -16.2311 -16.2311 -8.5154 -8.5154 -7.8890 -7.8890 -6.2856 -6.2856 -6.2315 -6.2315 -6.1593 -6.1593 -5.9804 -5.9804 -5.1201 -5.1201 -4.9816 -4.9816 -4.5478 -4.5478 -4.5187 -4.5187 -4.4597 -4.4597 -4.4260 -4.4260 -3.3585 -3.3585 -0.9613 -0.9613 -0.0440 -0.0440 0.0351 0.0351 0.3059 0.3059 0.3485 0.3485 0.6552 0.6552 1.1148 1.1148 1.1484 1.1484 1.5072 1.5072 1.8558 1.8558 2.0609 2.0609 5.0117 5.0117 5.3332 5.3332 5.5404 5.5404 8.4207 8.4207 8.6940 8.6940 9.9709 9.9709 11.1927 11.1927 k =-0.4286-0.0785 0.1867 ( 8006 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6474 -22.6474 -22.6199 -22.6199 -18.0888 -18.0888 -18.0552 -18.0552 -16.4068 -16.4068 -16.2310 -16.2310 -8.5167 -8.5167 -7.8882 -7.8882 -6.2859 -6.2859 -6.2244 -6.2244 -6.1617 -6.1617 -5.9858 -5.9858 -5.1129 -5.1129 -4.9876 -4.9876 -4.5459 -4.5459 -4.5211 -4.5211 -4.4613 -4.4613 -4.4246 -4.4246 -3.3589 -3.3589 -0.9622 -0.9622 -0.0512 -0.0512 0.0380 0.0380 0.3060 0.3060 0.3494 0.3494 0.6578 0.6578 1.1162 1.1162 1.1452 1.1452 1.5056 1.5056 1.8655 1.8655 2.0618 2.0618 5.0107 5.0107 5.3399 5.3399 5.5459 5.5459 8.4388 8.4388 8.6724 8.6724 9.9472 9.9472 11.2077 11.2077 k =-0.4429-0.0811 0.1930 ( 8004 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6463 -22.6463 -22.6209 -22.6209 -18.0887 -18.0887 -18.0554 -18.0554 -16.4070 -16.4070 -16.2309 -16.2309 -8.5179 -8.5179 -7.8876 -7.8876 -6.2865 -6.2865 -6.2167 -6.2167 -6.1648 -6.1648 -5.9905 -5.9905 -5.1068 -5.1068 -4.9927 -4.9927 -4.5438 -4.5438 -4.5236 -4.5236 -4.4630 -4.4630 -4.4234 -4.4234 -3.3593 -3.3593 -0.9630 -0.9630 -0.0575 -0.0575 0.0407 0.0407 0.3061 0.3061 0.3502 0.3502 0.6601 0.6601 1.1178 1.1178 1.1420 1.1420 1.5043 1.5043 1.8737 1.8737 2.0626 2.0626 5.0096 5.0096 5.3457 5.3457 5.5504 5.5504 8.4565 8.4565 8.6519 8.6519 9.9274 9.9274 11.2210 11.2210 k =-0.4571-0.0837 0.1992 ( 8003 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6454 -22.6454 -22.6217 -22.6217 -18.0885 -18.0885 -18.0556 -18.0556 -16.4071 -16.4071 -16.2309 -16.2309 -8.5187 -8.5187 -7.8871 -7.8871 -6.2872 -6.2872 -6.2088 -6.2088 -6.1687 -6.1687 -5.9944 -5.9944 -5.1018 -5.1018 -4.9970 -4.9970 -4.5414 -4.5414 -4.5260 -4.5260 -4.4644 -4.4644 -4.4223 -4.4223 -3.3596 -3.3596 -0.9636 -0.9636 -0.0628 -0.0628 0.0430 0.0430 0.3061 0.3061 0.3508 0.3508 0.6618 0.6618 1.1195 1.1195 1.1390 1.1390 1.5034 1.5034 1.8803 1.8803 2.0632 2.0632 5.0084 5.0084 5.3504 5.3504 5.5538 5.5538 8.4734 8.4734 8.6330 8.6330 9.9118 9.9118 11.2319 11.2319 k =-0.4714-0.0864 0.2054 ( 8006 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6447 -22.6447 -22.6223 -22.6223 -18.0885 -18.0885 -18.0557 -18.0557 -16.4072 -16.4072 -16.2308 -16.2308 -8.5193 -8.5193 -7.8868 -7.8868 -6.2878 -6.2878 -6.2011 -6.2011 -6.1734 -6.1734 -5.9973 -5.9973 -5.0981 -5.0981 -5.0002 -5.0002 -4.5390 -4.5390 -4.5285 -4.5285 -4.4656 -4.4656 -4.4216 -4.4216 -3.3598 -3.3598 -0.9640 -0.9640 -0.0667 -0.0667 0.0448 0.0448 0.3062 0.3062 0.3512 0.3512 0.6631 0.6631 1.1213 1.1213 1.1364 1.1364 1.5026 1.5026 1.8851 1.8851 2.0636 2.0636 5.0075 5.0075 5.3539 5.3539 5.5563 5.5563 8.4884 8.4884 8.6166 8.6166 9.9005 9.9005 11.2400 11.2400 k =-0.4857-0.0890 0.2116 ( 8011 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6443 -22.6443 -22.6227 -22.6227 -18.0884 -18.0884 -18.0557 -18.0557 -16.4073 -16.4073 -16.2308 -16.2308 -8.5197 -8.5197 -7.8866 -7.8866 -6.2882 -6.2882 -6.1939 -6.1939 -6.1787 -6.1787 -5.9990 -5.9990 -5.0958 -5.0958 -5.0022 -5.0022 -4.5365 -4.5365 -4.5309 -4.5309 -4.4664 -4.4664 -4.4211 -4.4211 -3.3599 -3.3599 -0.9643 -0.9643 -0.0690 -0.0690 0.0459 0.0459 0.3062 0.3062 0.3515 0.3515 0.6638 0.6638 1.1228 1.1228 1.1343 1.1343 1.5022 1.5022 1.8880 1.8880 2.0639 2.0639 5.0069 5.0069 5.3561 5.3561 5.5577 5.5577 8.4996 8.4996 8.6046 8.6046 9.8936 9.8936 11.2450 11.2450 k =-0.5000-0.0916 0.2179 ( 8008 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6442 -22.6442 -22.6228 -22.6228 -18.0884 -18.0884 -18.0558 -18.0558 -16.4073 -16.4073 -16.2308 -16.2308 -8.5198 -8.5198 -7.8866 -7.8866 -6.2884 -6.2884 -6.1895 -6.1895 -6.1824 -6.1824 -5.9996 -5.9996 -5.0950 -5.0950 -5.0029 -5.0029 -4.5349 -4.5349 -4.5325 -4.5325 -4.4666 -4.4666 -4.4209 -4.4209 -3.3600 -3.3600 -0.9644 -0.9644 -0.0698 -0.0698 0.0463 0.0463 0.3062 0.3062 0.3516 0.3516 0.6641 0.6641 1.1235 1.1235 1.1334 1.1334 1.5021 1.5021 1.8890 1.8890 2.0639 2.0639 5.0067 5.0067 5.3568 5.3568 5.5582 5.5582 8.5039 8.5039 8.6000 8.6000 9.8913 9.8913 11.2467 11.2467 k =-0.5000-0.5609 0.1711 ( 8022 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6308 -22.6308 -22.6304 -22.6304 -18.0869 -18.0869 -18.0823 -18.0823 -16.3460 -16.3460 -16.2887 -16.2887 -8.4966 -8.4966 -7.8189 -7.8189 -6.2380 -6.2380 -6.1841 -6.1841 -6.1437 -6.1437 -6.0253 -6.0253 -5.2815 -5.2815 -4.8337 -4.8337 -4.5956 -4.5956 -4.5894 -4.5894 -4.4992 -4.4992 -4.3675 -4.3675 -3.2388 -3.2388 -1.1186 -1.1186 0.0104 0.0104 0.0685 0.0685 0.2182 0.2182 0.3479 0.3479 0.5564 0.5564 0.9765 0.9765 1.1548 1.1548 1.5228 1.5228 1.7701 1.7701 2.0833 2.0833 5.1336 5.1336 5.2890 5.2890 5.5117 5.5117 8.4707 8.4707 9.9179 9.9179 10.3093 10.3093 10.3375 10.3375 k =-0.4898-0.5494 0.1676 ( 8018 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6312 -22.6312 -22.6300 -22.6300 -18.0870 -18.0870 -18.0822 -18.0822 -16.3461 -16.3461 -16.2885 -16.2885 -8.4962 -8.4962 -7.8194 -7.8194 -6.2381 -6.2381 -6.1840 -6.1840 -6.1432 -6.1432 -6.0259 -6.0259 -5.2813 -5.2813 -4.8343 -4.8343 -4.5954 -4.5954 -4.5894 -4.5894 -4.4987 -4.4987 -4.3677 -4.3677 -3.2388 -3.2388 -1.1190 -1.1190 0.0108 0.0108 0.0682 0.0682 0.2185 0.2185 0.3477 0.3477 0.5565 0.5565 0.9771 0.9771 1.1548 1.1548 1.5226 1.5226 1.7703 1.7703 2.0832 2.0832 5.1315 5.1315 5.2908 5.2908 5.5121 5.5121 8.4707 8.4707 9.9097 9.9097 10.2716 10.2716 10.3844 10.3844 k =-0.4796-0.5380 0.1641 ( 8019 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6317 -22.6317 -22.6295 -22.6295 -18.0873 -18.0873 -18.0819 -18.0819 -16.3467 -16.3467 -16.2879 -16.2879 -8.4950 -8.4950 -7.8206 -7.8206 -6.2386 -6.2386 -6.1838 -6.1838 -6.1415 -6.1415 -6.0276 -6.0276 -5.2809 -5.2809 -4.8359 -4.8359 -4.5951 -4.5951 -4.5896 -4.5896 -4.4973 -4.4973 -4.3682 -4.3682 -3.2389 -3.2389 -1.1199 -1.1199 0.0119 0.0119 0.0676 0.0676 0.2194 0.2194 0.3473 0.3473 0.5566 0.5566 0.9789 0.9789 1.1549 1.1549 1.5219 1.5219 1.7707 1.7707 2.0827 2.0827 5.1257 5.1257 5.2960 5.2960 5.5132 5.5132 8.4708 8.4708 9.8856 9.8856 10.2342 10.2342 10.4491 10.4491 k =-0.4694-0.5265 0.1606 ( 8027 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6323 -22.6323 -22.6290 -22.6290 -18.0877 -18.0877 -18.0814 -18.0814 -16.3475 -16.3475 -16.2870 -16.2870 -8.4930 -8.4930 -7.8226 -7.8226 -6.2393 -6.2393 -6.1835 -6.1835 -6.1388 -6.1388 -6.0304 -6.0304 -5.2803 -5.2803 -4.8385 -4.8385 -4.5946 -4.5946 -4.5896 -4.5896 -4.4949 -4.4949 -4.3690 -4.3690 -3.2392 -3.2392 -1.1215 -1.1215 0.0134 0.0134 0.0667 0.0667 0.2209 0.2209 0.3466 0.3466 0.5567 0.5567 0.9819 0.9819 1.1550 1.1550 1.5206 1.5206 1.7713 1.7713 2.0819 2.0819 5.1167 5.1167 5.3038 5.3038 5.5151 5.5151 8.4708 8.4708 9.8470 9.8470 10.2088 10.2088 10.5184 10.5184 k =-0.4592-0.5151 0.1571 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6329 -22.6329 -22.6284 -22.6284 -18.0882 -18.0882 -18.0808 -18.0808 -16.3486 -16.3486 -16.2858 -16.2858 -8.4902 -8.4902 -7.8254 -7.8254 -6.2401 -6.2401 -6.1830 -6.1830 -6.1353 -6.1353 -6.0343 -6.0343 -5.2794 -5.2794 -4.8421 -4.8421 -4.5942 -4.5942 -4.5894 -4.5894 -4.4917 -4.4917 -4.3701 -4.3701 -3.2395 -3.2395 -1.1235 -1.1235 0.0153 0.0153 0.0657 0.0657 0.2229 0.2229 0.3456 0.3456 0.5571 0.5571 0.9860 0.9860 1.1552 1.1552 1.5190 1.5190 1.7722 1.7722 2.0808 2.0808 5.1055 5.1055 5.3134 5.3134 5.5176 5.5176 8.4710 8.4710 9.7971 9.7971 10.1941 10.1941 10.5900 10.5900 k =-0.4490-0.5037 0.1536 ( 8023 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6336 -22.6336 -22.6278 -22.6278 -18.0888 -18.0888 -18.0802 -18.0802 -16.3500 -16.3500 -16.2843 -16.2843 -8.4868 -8.4868 -7.8288 -7.8288 -6.2411 -6.2411 -6.1825 -6.1825 -6.1309 -6.1309 -6.0391 -6.0391 -5.2784 -5.2784 -4.8464 -4.8464 -4.5941 -4.5941 -4.5888 -4.5888 -4.4879 -4.4879 -4.3714 -4.3714 -3.2400 -3.2400 -1.1258 -1.1258 0.0170 0.0170 0.0650 0.0650 0.2252 0.2252 0.3444 0.3444 0.5575 0.5575 0.9912 0.9912 1.1555 1.1555 1.5170 1.5170 1.7734 1.7734 2.0793 2.0793 5.0927 5.0927 5.3241 5.3241 5.5209 5.5209 8.4711 8.4711 9.7396 9.7396 10.1877 10.1877 10.6626 10.6626 k =-0.4388-0.4922 0.1501 ( 8021 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6343 -22.6343 -22.6273 -22.6273 -18.0893 -18.0893 -18.0795 -18.0795 -16.3516 -16.3516 -16.2826 -16.2826 -8.4828 -8.4828 -7.8327 -7.8327 -6.2421 -6.2421 -6.1818 -6.1818 -6.1259 -6.1259 -6.0448 -6.0448 -5.2773 -5.2773 -4.8515 -4.8515 -4.5943 -4.5943 -4.5876 -4.5876 -4.4834 -4.4834 -4.3730 -4.3730 -3.2405 -3.2405 -1.1284 -1.1284 0.0181 0.0181 0.0651 0.0651 0.2279 0.2279 0.3431 0.3431 0.5582 0.5582 0.9972 0.9972 1.1558 1.1558 1.5148 1.5148 1.7746 1.7746 2.0774 2.0774 5.0789 5.0789 5.3355 5.3355 5.5247 5.5247 8.4713 8.4713 9.6777 9.6777 10.1873 10.1873 10.7350 10.7350 k =-0.4286-0.4808 0.1466 ( 8020 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6350 -22.6350 -22.6266 -22.6266 -18.0899 -18.0899 -18.0788 -18.0788 -16.3533 -16.3533 -16.2807 -16.2807 -8.4782 -8.4782 -7.8372 -7.8372 -6.2431 -6.2431 -6.1811 -6.1811 -6.1203 -6.1203 -6.0513 -6.0513 -5.2761 -5.2761 -4.8572 -4.8572 -4.5946 -4.5946 -4.5861 -4.5861 -4.4784 -4.4784 -4.3748 -4.3748 -3.2413 -3.2413 -1.1310 -1.1310 0.0183 0.0183 0.0661 0.0661 0.2308 0.2308 0.3416 0.3416 0.5591 0.5591 1.0040 1.0040 1.1562 1.1562 1.5123 1.5123 1.7760 1.7760 2.0751 2.0751 5.0645 5.0645 5.3470 5.3470 5.5290 5.5290 8.4715 8.4715 9.6135 9.6135 10.1912 10.1912 10.8063 10.8063 k =-0.4184-0.4693 0.1431 ( 8018 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6358 -22.6358 -22.6260 -22.6260 -18.0905 -18.0905 -18.0780 -18.0780 -16.3551 -16.3551 -16.2787 -16.2787 -8.4732 -8.4732 -7.8419 -7.8419 -6.2441 -6.2441 -6.1805 -6.1805 -6.1144 -6.1144 -6.0584 -6.0584 -5.2749 -5.2749 -4.8633 -4.8633 -4.5950 -4.5950 -4.5843 -4.5843 -4.4731 -4.4731 -4.3768 -4.3768 -3.2422 -3.2422 -1.1335 -1.1335 0.0172 0.0172 0.0682 0.0682 0.2338 0.2338 0.3400 0.3400 0.5603 0.5603 1.0116 1.0116 1.1566 1.1566 1.5097 1.5097 1.7775 1.7775 2.0724 2.0724 5.0497 5.0497 5.3584 5.3584 5.5338 5.5338 8.4717 8.4717 9.5485 9.5485 10.1984 10.1984 10.8756 10.8756 k =-0.4082-0.4579 0.1396 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6366 -22.6366 -22.6253 -22.6253 -18.0910 -18.0910 -18.0772 -18.0772 -16.3571 -16.3571 -16.2766 -16.2766 -8.4679 -8.4679 -7.8469 -7.8469 -6.2450 -6.2450 -6.1800 -6.1800 -6.1082 -6.1082 -6.0659 -6.0659 -5.2738 -5.2738 -4.8697 -4.8697 -4.5953 -4.5953 -4.5824 -4.5824 -4.4675 -4.4675 -4.3789 -4.3789 -3.2432 -3.2432 -1.1356 -1.1356 0.0151 0.0151 0.0712 0.0712 0.2369 0.2369 0.3385 0.3385 0.5618 0.5618 1.0197 1.0197 1.1570 1.1570 1.5070 1.5070 1.7789 1.7789 2.0693 2.0693 5.0348 5.0348 5.3694 5.3694 5.5390 5.5390 8.4718 8.4718 9.4838 9.4838 10.2082 10.2082 10.9419 10.9419 k =-0.3980-0.4464 0.1361 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6375 -22.6375 -22.6246 -22.6246 -18.0916 -18.0916 -18.0764 -18.0764 -16.3590 -16.3590 -16.2744 -16.2744 -8.4624 -8.4624 -7.8519 -7.8519 -6.2458 -6.2458 -6.1797 -6.1797 -6.1020 -6.1020 -6.0735 -6.0735 -5.2729 -5.2729 -4.8762 -4.8762 -4.5955 -4.5955 -4.5804 -4.5804 -4.4618 -4.4618 -4.3811 -4.3811 -3.2445 -3.2445 -1.1374 -1.1374 0.0121 0.0121 0.0748 0.0748 0.2401 0.2401 0.3369 0.3369 0.5637 0.5637 1.0282 1.0282 1.1574 1.1574 1.5045 1.5045 1.7804 1.7804 2.0658 2.0658 5.0199 5.0199 5.3800 5.3800 5.5445 5.5445 8.4719 8.4719 9.4201 9.4201 10.2202 10.2202 11.0040 11.0040 k =-0.3878-0.4350 0.1327 ( 8008 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6385 -22.6385 -22.6239 -22.6239 -18.0921 -18.0921 -18.0756 -18.0756 -16.3610 -16.3610 -16.2721 -16.2721 -8.4569 -8.4569 -7.8568 -7.8568 -6.2465 -6.2465 -6.1798 -6.1798 -6.0962 -6.0962 -6.0805 -6.0805 -5.2723 -5.2723 -4.8827 -4.8827 -4.5956 -4.5956 -4.5782 -4.5782 -4.4560 -4.4560 -4.3833 -4.3833 -3.2460 -3.2460 -1.1386 -1.1386 0.0084 0.0084 0.0786 0.0786 0.2432 0.2432 0.3354 0.3354 0.5660 0.5660 1.0369 1.0369 1.1579 1.1579 1.5021 1.5021 1.7817 1.7817 2.0618 2.0618 5.0052 5.0052 5.3899 5.3899 5.5502 5.5502 8.4718 8.4718 9.3580 9.3580 10.2341 10.2341 11.0603 11.0603 k =-0.3776-0.4235 0.1292 ( 8010 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6394 -22.6394 -22.6231 -22.6231 -18.0927 -18.0927 -18.0748 -18.0748 -16.3631 -16.3631 -16.2699 -16.2699 -8.4515 -8.4515 -7.8614 -7.8614 -6.2472 -6.2472 -6.1804 -6.1804 -6.0942 -6.0942 -6.0836 -6.0836 -5.2720 -5.2720 -4.8892 -4.8892 -4.5956 -4.5956 -4.5761 -4.5761 -4.4502 -4.4502 -4.3855 -4.3855 -3.2477 -3.2477 -1.1390 -1.1390 0.0044 0.0044 0.0823 0.0823 0.2462 0.2462 0.3341 0.3341 0.5685 0.5685 1.0457 1.0457 1.1585 1.1585 1.4999 1.4999 1.7828 1.7828 2.0574 2.0574 4.9908 4.9908 5.3989 5.3989 5.5560 5.5560 8.4714 8.4714 9.2981 9.2981 10.2495 10.2495 11.1092 11.1092 k =-0.3673-0.4121 0.1257 ( 8016 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6405 -22.6405 -22.6223 -22.6223 -18.0932 -18.0932 -18.0739 -18.0739 -16.3651 -16.3651 -16.2677 -16.2677 -8.4462 -8.4462 -7.8657 -7.8657 -6.2477 -6.2477 -6.1818 -6.1818 -6.0988 -6.0988 -6.0793 -6.0793 -5.2720 -5.2720 -4.8953 -4.8953 -4.5954 -4.5954 -4.5738 -4.5738 -4.4445 -4.4445 -4.3877 -4.3877 -3.2496 -3.2496 -1.1386 -1.1386 0.0001 0.0001 0.0857 0.0857 0.2491 0.2491 0.3329 0.3329 0.5713 0.5713 1.0545 1.0545 1.1590 1.1590 1.4981 1.4981 1.7837 1.7837 2.0525 2.0525 4.9768 4.9768 5.4071 5.4071 5.5617 5.5617 8.4705 8.4705 9.2409 9.2409 10.2665 10.2665 11.1484 11.1484 k =-0.3571-0.4006 0.1222 ( 8020 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6416 -22.6416 -22.6214 -22.6214 -18.0937 -18.0937 -18.0730 -18.0730 -16.3670 -16.3670 -16.2654 -16.2654 -8.4414 -8.4414 -7.8696 -7.8696 -6.2483 -6.2483 -6.1842 -6.1842 -6.1046 -6.1046 -6.0731 -6.0731 -5.2725 -5.2725 -4.9011 -4.9011 -4.5951 -4.5951 -4.5716 -4.5716 -4.4389 -4.4389 -4.3899 -4.3899 -3.2518 -3.2518 -1.1374 -1.1374 -0.0042 -0.0042 0.0888 0.0888 0.2519 0.2519 0.3319 0.3319 0.5745 0.5745 1.0632 1.0632 1.1596 1.1596 1.4967 1.4967 1.7843 1.7843 2.0473 2.0473 4.9632 4.9632 5.4143 5.4143 5.5674 5.5674 8.4690 8.4690 9.1869 9.1869 10.2848 10.2848 11.1767 11.1767 k =-0.3469-0.3892 0.1187 ( 8020 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6427 -22.6427 -22.6205 -22.6205 -18.0941 -18.0941 -18.0721 -18.0721 -16.3690 -16.3690 -16.2633 -16.2633 -8.4369 -8.4369 -7.8728 -7.8728 -6.2488 -6.2488 -6.1878 -6.1878 -6.1096 -6.1096 -6.0667 -6.0667 -5.2736 -5.2736 -4.9064 -4.9064 -4.5947 -4.5947 -4.5692 -4.5692 -4.4336 -4.4336 -4.3919 -4.3919 -3.2542 -3.2542 -1.1352 -1.1352 -0.0086 -0.0086 0.0914 0.0914 0.2546 0.2546 0.3310 0.3310 0.5778 0.5778 1.0715 1.0715 1.1603 1.1603 1.4958 1.4958 1.7846 1.7846 2.0418 2.0418 4.9500 4.9500 5.4204 5.4204 5.5727 5.5727 8.4665 8.4665 9.1365 9.1365 10.3043 10.3043 11.1942 11.1942 k =-0.3367-0.3777 0.1152 ( 8021 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6439 -22.6439 -22.6196 -22.6196 -18.0946 -18.0946 -18.0712 -18.0712 -16.3709 -16.3709 -16.2611 -16.2611 -8.4331 -8.4331 -7.8754 -7.8754 -6.2494 -6.2494 -6.1925 -6.1925 -6.1134 -6.1134 -6.0603 -6.0603 -5.2751 -5.2751 -4.9111 -4.9111 -4.5942 -4.5942 -4.5668 -4.5668 -4.4286 -4.4286 -4.3938 -4.3938 -3.2568 -3.2568 -1.1320 -1.1320 -0.0129 -0.0129 0.0935 0.0935 0.2571 0.2571 0.3304 0.3304 0.5813 0.5813 1.0795 1.0795 1.1611 1.1611 1.4954 1.4954 1.7843 1.7843 2.0361 2.0361 4.9373 4.9373 5.4255 5.4255 5.5775 5.5775 8.4627 8.4627 9.0904 9.0904 10.3250 10.3250 11.2031 11.2031 k =-0.3265-0.3663 0.1117 ( 8017 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6451 -22.6451 -22.6187 -22.6187 -18.0950 -18.0950 -18.0703 -18.0703 -16.3728 -16.3728 -16.2591 -16.2591 -8.4299 -8.4299 -7.8773 -7.8773 -6.2501 -6.2501 -6.1983 -6.1983 -6.1161 -6.1161 -6.0539 -6.0539 -5.2772 -5.2772 -4.9152 -4.9152 -4.5935 -4.5935 -4.5643 -4.5643 -4.4239 -4.4239 -4.3956 -4.3956 -3.2596 -3.2596 -1.1279 -1.1279 -0.0171 -0.0171 0.0952 0.0952 0.2595 0.2595 0.3300 0.3300 0.5849 0.5849 1.0869 1.0869 1.1620 1.1620 1.4956 1.4956 1.7836 1.7836 2.0302 2.0302 4.9251 4.9251 5.4295 5.4295 5.5818 5.5818 8.4573 8.4573 9.0491 9.0491 10.3466 10.3466 11.2062 11.2062 k =-0.3163-0.3548 0.1082 ( 8025 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6464 -22.6464 -22.6177 -22.6177 -18.0953 -18.0953 -18.0693 -18.0693 -16.3745 -16.3745 -16.2571 -16.2571 -8.4273 -8.4273 -7.8786 -7.8786 -6.2511 -6.2511 -6.2046 -6.2046 -6.1178 -6.1178 -6.0477 -6.0477 -5.2799 -5.2799 -4.9185 -4.9185 -4.5929 -4.5929 -4.5617 -4.5617 -4.4196 -4.4196 -4.3972 -4.3972 -3.2626 -3.2626 -1.1229 -1.1229 -0.0212 -0.0212 0.0967 0.0967 0.2617 0.2617 0.3297 0.3297 0.5884 0.5884 1.0937 1.0937 1.1629 1.1629 1.4964 1.4964 1.7823 1.7823 2.0242 2.0242 4.9134 4.9134 5.4324 5.4324 5.5852 5.5852 8.4499 8.4499 9.0131 9.0131 10.3692 10.3692 11.2058 11.2058 k =-0.3061-0.3434 0.1047 ( 8028 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6477 -22.6477 -22.6167 -22.6167 -18.0957 -18.0957 -18.0683 -18.0683 -16.3763 -16.3763 -16.2552 -16.2552 -8.4255 -8.4255 -7.8792 -7.8792 -6.2525 -6.2525 -6.2112 -6.2112 -6.1186 -6.1186 -6.0416 -6.0416 -5.2832 -5.2832 -4.9210 -4.9210 -4.5922 -4.5922 -4.5590 -4.5590 -4.4158 -4.4158 -4.3985 -4.3985 -3.2659 -3.2659 -1.1171 -1.1171 -0.0253 -0.0253 0.0980 0.0980 0.2637 0.2637 0.3296 0.3296 0.5918 0.5918 1.0998 1.0998 1.1640 1.1640 1.4978 1.4978 1.7803 1.7803 2.0183 2.0183 4.9021 4.9021 5.4342 5.4342 5.5876 5.5876 8.4402 8.4402 8.9829 8.9829 10.3926 10.3926 11.2036 11.2036 k =-0.2959-0.3320 0.1012 ( 8031 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6490 -22.6490 -22.6157 -22.6157 -18.0960 -18.0960 -18.0673 -18.0673 -16.3779 -16.3779 -16.2533 -16.2533 -8.4244 -8.4244 -7.8792 -7.8792 -6.2547 -6.2547 -6.2174 -6.2174 -6.1187 -6.1187 -6.0357 -6.0357 -5.2870 -5.2870 -4.9227 -4.9227 -4.5914 -4.5914 -4.5560 -4.5560 -4.4125 -4.4125 -4.3995 -4.3995 -3.2692 -3.2692 -1.1104 -1.1104 -0.0293 -0.0293 0.0992 0.0992 0.2655 0.2655 0.3297 0.3297 0.5949 0.5949 1.1052 1.1052 1.1652 1.1652 1.4998 1.4998 1.7777 1.7777 2.0126 2.0126 4.8913 4.8913 5.4349 5.4349 5.5890 5.5890 8.4282 8.4282 8.9586 8.9586 10.4168 10.4168 11.2004 11.2004 k =-0.2857-0.3205 0.0977 ( 8030 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6504 -22.6504 -22.6147 -22.6147 -18.0963 -18.0963 -18.0663 -18.0663 -16.3795 -16.3795 -16.2516 -16.2516 -8.4239 -8.4239 -7.8788 -7.8788 -6.2579 -6.2579 -6.2226 -6.2226 -6.1185 -6.1185 -6.0299 -6.0299 -5.2913 -5.2913 -4.9235 -4.9235 -4.5907 -4.5907 -4.5529 -4.5529 -4.4101 -4.4101 -4.3999 -4.3999 -3.2728 -3.2728 -1.1031 -1.1031 -0.0332 -0.0332 0.1006 0.1006 0.2672 0.2672 0.3299 0.3299 0.5978 0.5978 1.1099 1.1099 1.1665 1.1665 1.5024 1.5024 1.7744 1.7744 2.0071 2.0071 4.8809 4.8809 5.4346 5.4346 5.5890 5.5890 8.4138 8.4138 8.9404 8.9404 10.4416 10.4416 11.1970 11.1970 k =-0.2755-0.3091 0.0943 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6518 -22.6518 -22.6136 -22.6136 -18.0965 -18.0965 -18.0653 -18.0653 -16.3810 -16.3810 -16.2500 -16.2500 -8.4241 -8.4241 -7.8780 -7.8780 -6.2624 -6.2624 -6.2264 -6.2264 -6.1179 -6.1179 -6.0242 -6.0242 -5.2961 -5.2961 -4.9234 -4.9234 -4.5899 -4.5899 -4.5497 -4.5497 -4.4086 -4.4086 -4.3998 -4.3998 -3.2765 -3.2765 -1.0951 -1.0951 -0.0372 -0.0372 0.1022 0.1022 0.2687 0.2687 0.3303 0.3303 0.6004 0.6004 1.1139 1.1139 1.1678 1.1678 1.5056 1.5056 1.7703 1.7703 2.0019 2.0019 4.8709 4.8709 5.4332 5.4332 5.5876 5.5876 8.3973 8.3973 8.9281 8.9281 10.4669 10.4669 11.1938 11.1938 k =-0.2653-0.2976 0.0908 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6532 -22.6532 -22.6126 -22.6126 -18.0967 -18.0967 -18.0643 -18.0643 -16.3825 -16.3825 -16.2484 -16.2484 -8.4248 -8.4248 -7.8771 -7.8771 -6.2681 -6.2681 -6.2287 -6.2287 -6.1171 -6.1171 -6.0187 -6.0187 -5.3014 -5.3014 -4.9224 -4.9224 -4.5892 -4.5892 -4.5462 -4.5462 -4.4080 -4.4080 -4.3990 -4.3990 -3.2804 -3.2804 -1.0867 -1.0867 -0.0413 -0.0413 0.1043 0.1043 0.2699 0.2699 0.3309 0.3309 0.6024 0.6024 1.1174 1.1174 1.1692 1.1692 1.5092 1.5092 1.7655 1.7655 1.9972 1.9972 4.8613 4.8613 5.4309 5.4309 5.5847 5.5847 8.3792 8.3792 8.9213 8.9213 10.4927 10.4927 11.1909 11.1909 k =-0.2551-0.2862 0.0873 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6546 -22.6546 -22.6115 -22.6115 -18.0969 -18.0969 -18.0632 -18.0632 -16.3839 -16.3839 -16.2470 -16.2470 -8.4259 -8.4259 -7.8761 -7.8761 -6.2748 -6.2748 -6.2297 -6.2297 -6.1161 -6.1161 -6.0133 -6.0133 -5.3070 -5.3070 -4.9204 -4.9204 -4.5885 -4.5885 -4.5425 -4.5425 -4.4080 -4.4080 -4.3980 -4.3980 -3.2843 -3.2843 -1.0779 -1.0779 -0.0455 -0.0455 0.1068 0.1068 0.2710 0.2710 0.3317 0.3317 0.6040 0.6040 1.1204 1.1204 1.1705 1.1705 1.5133 1.5133 1.7601 1.7601 1.9930 1.9930 4.8519 4.8519 5.4275 5.4275 5.5803 5.5803 8.3601 8.3601 8.9193 8.9193 10.5188 10.5188 11.1886 11.1886 k =-0.2449-0.2747 0.0838 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6560 -22.6560 -22.6105 -22.6105 -18.0970 -18.0970 -18.0622 -18.0622 -16.3852 -16.3852 -16.2456 -16.2456 -8.4273 -8.4273 -7.8753 -7.8753 -6.2820 -6.2820 -6.2297 -6.2297 -6.1150 -6.1150 -6.0081 -6.0081 -5.3129 -5.3129 -4.9176 -4.9176 -4.5878 -4.5878 -4.5387 -4.5387 -4.4083 -4.4083 -4.3969 -4.3969 -3.2884 -3.2884 -1.0688 -1.0688 -0.0499 -0.0499 0.1098 0.1098 0.2719 0.2719 0.3329 0.3329 0.6050 0.6050 1.1229 1.1229 1.1717 1.1717 1.5178 1.5178 1.7542 1.7542 1.9893 1.9893 4.8427 4.8427 5.4230 5.4230 5.5744 5.5744 8.3405 8.3405 8.9216 8.9216 10.5452 10.5452 11.1870 11.1870 k =-0.2347-0.2633 0.0803 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6574 -22.6574 -22.6094 -22.6094 -18.0971 -18.0971 -18.0611 -18.0611 -16.3864 -16.3864 -16.2444 -16.2444 -8.4289 -8.4289 -7.8748 -7.8748 -6.2895 -6.2895 -6.2289 -6.2289 -6.1137 -6.1137 -6.0029 -6.0029 -5.3192 -5.3192 -4.9139 -4.9139 -4.5871 -4.5871 -4.5347 -4.5347 -4.4089 -4.4089 -4.3961 -4.3961 -3.2926 -3.2926 -1.0595 -1.0595 -0.0545 -0.0545 0.1134 0.1134 0.2726 0.2726 0.3343 0.3343 0.6054 0.6054 1.1251 1.1251 1.1728 1.1728 1.5226 1.5226 1.7480 1.7480 1.9861 1.9861 4.8337 4.8337 5.4173 5.4173 5.5671 5.5671 8.3210 8.3210 8.9274 8.9274 10.5718 10.5718 11.1860 11.1860 k =-0.2245-0.2518 0.0768 ( 8037 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6589 -22.6589 -22.6083 -22.6083 -18.0972 -18.0972 -18.0600 -18.0600 -16.3875 -16.3875 -16.2432 -16.2432 -8.4306 -8.4306 -7.8748 -7.8748 -6.2971 -6.2971 -6.2274 -6.2274 -6.1122 -6.1122 -5.9978 -5.9978 -5.3257 -5.3257 -4.9093 -4.9093 -4.5864 -4.5864 -4.5307 -4.5307 -4.4095 -4.4095 -4.3955 -4.3955 -3.2969 -3.2969 -1.0502 -1.0502 -0.0594 -0.0594 0.1176 0.1176 0.2731 0.2731 0.3361 0.3361 0.6053 0.6053 1.1271 1.1271 1.1738 1.1738 1.5276 1.5276 1.7415 1.7415 1.9834 1.9834 4.8248 4.8248 5.4103 5.4103 5.5586 5.5586 8.3021 8.3021 8.9363 8.9363 10.5984 10.5984 11.1856 11.1856 k =-0.2143-0.2404 0.0733 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6603 -22.6603 -22.6073 -22.6073 -18.0972 -18.0972 -18.0590 -18.0590 -16.3886 -16.3886 -16.2422 -16.2422 -8.4323 -8.4323 -7.8755 -7.8755 -6.3046 -6.3046 -6.2255 -6.2255 -6.1105 -6.1105 -5.9929 -5.9929 -5.3324 -5.3324 -4.9038 -4.9038 -4.5857 -4.5857 -4.5266 -4.5266 -4.4103 -4.4103 -4.3951 -4.3951 -3.3013 -3.3013 -1.0409 -1.0409 -0.0646 -0.0646 0.1222 0.1222 0.2734 0.2734 0.3382 0.3382 0.6045 0.6045 1.1288 1.1288 1.1746 1.1746 1.5327 1.5327 1.7350 1.7350 1.9812 1.9812 4.8159 4.8159 5.4018 5.4018 5.5493 5.5493 8.2843 8.2843 8.9476 8.9476 10.6250 10.6250 11.1857 11.1857 k =-0.2041-0.2289 0.0698 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6617 -22.6617 -22.6063 -22.6063 -18.0973 -18.0973 -18.0579 -18.0579 -16.3897 -16.3897 -16.2412 -16.2412 -8.4339 -8.4339 -7.8768 -7.8768 -6.3121 -6.3121 -6.2231 -6.2231 -6.1084 -6.1084 -5.9879 -5.9879 -5.3393 -5.3393 -4.8975 -4.8975 -4.5849 -4.5849 -4.5226 -4.5226 -4.4113 -4.4113 -4.3949 -4.3949 -3.3057 -3.3057 -1.0317 -1.0317 -0.0700 -0.0700 0.1272 0.1272 0.2737 0.2737 0.3408 0.3408 0.6032 0.6032 1.1304 1.1304 1.1753 1.1753 1.5378 1.5378 1.7286 1.7286 1.9794 1.9794 4.8071 4.8071 5.3915 5.3915 5.5395 5.5395 8.2678 8.2678 8.9607 8.9607 10.6514 10.6514 11.1862 11.1862 k =-0.1939-0.2175 0.0663 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6631 -22.6631 -22.6053 -22.6053 -18.0972 -18.0972 -18.0569 -18.0569 -16.3906 -16.3906 -16.2404 -16.2404 -8.4353 -8.4353 -7.8790 -7.8790 -6.3195 -6.3195 -6.2203 -6.2203 -6.1060 -6.1060 -5.9830 -5.9830 -5.3463 -5.3463 -4.8904 -4.8904 -4.5841 -4.5841 -4.5187 -4.5187 -4.4125 -4.4125 -4.3948 -4.3948 -3.3102 -3.3102 -1.0226 -1.0226 -0.0757 -0.0757 0.1324 0.1324 0.2738 0.2738 0.3436 0.3436 0.6013 0.6013 1.1318 1.1318 1.1760 1.1760 1.5429 1.5429 1.7227 1.7227 1.9780 1.9780 4.7984 4.7984 5.3791 5.3791 5.5297 5.5297 8.2529 8.2529 8.9754 8.9754 10.6776 10.6776 11.1870 11.1870 k =-0.1837-0.2060 0.0628 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6644 -22.6644 -22.6043 -22.6043 -18.0972 -18.0972 -18.0559 -18.0559 -16.3915 -16.3915 -16.2396 -16.2396 -8.4364 -8.4364 -7.8820 -7.8820 -6.3268 -6.3268 -6.2174 -6.2174 -6.1031 -6.1031 -5.9781 -5.9781 -5.3535 -5.3535 -4.8825 -4.8825 -4.5832 -4.5832 -4.5150 -4.5150 -4.4139 -4.4139 -4.3947 -4.3947 -3.3148 -3.3148 -1.0137 -1.0137 -0.0816 -0.0816 0.1378 0.1378 0.2740 0.2740 0.3468 0.3468 0.5989 0.5989 1.1331 1.1331 1.1765 1.1765 1.5478 1.5478 1.7174 1.7174 1.9770 1.9770 4.7896 4.7896 5.3645 5.3645 5.5203 5.5203 8.2397 8.2397 8.9911 8.9911 10.7035 10.7035 11.1878 11.1878 k =-0.1735-0.1946 0.0593 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6657 -22.6657 -22.6033 -22.6033 -18.0972 -18.0972 -18.0549 -18.0549 -16.3923 -16.3923 -16.2389 -16.2389 -8.4372 -8.4372 -7.8858 -7.8858 -6.3340 -6.3340 -6.2144 -6.2144 -6.0997 -6.0997 -5.9732 -5.9732 -5.3608 -5.3608 -4.8738 -4.8738 -4.5822 -4.5822 -4.5116 -4.5116 -4.4156 -4.4156 -4.3946 -4.3946 -3.3194 -3.3194 -1.0051 -1.0051 -0.0877 -0.0877 0.1431 0.1431 0.2742 0.2742 0.3502 0.3502 0.5961 0.5961 1.1344 1.1344 1.1769 1.1769 1.5526 1.5526 1.7130 1.7130 1.9762 1.9762 4.7808 4.7808 5.3474 5.3474 5.5117 5.5117 8.2282 8.2282 9.0075 9.0075 10.7291 10.7291 11.1885 11.1885 k =-0.1633-0.1831 0.0559 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6670 -22.6670 -22.6024 -22.6024 -18.0971 -18.0971 -18.0539 -18.0539 -16.3931 -16.3931 -16.2383 -16.2383 -8.4377 -8.4377 -7.8905 -7.8905 -6.3410 -6.3410 -6.2113 -6.2113 -6.0956 -6.0956 -5.9683 -5.9683 -5.3681 -5.3681 -4.8645 -4.8645 -4.5811 -4.5811 -4.5088 -4.5088 -4.4176 -4.4176 -4.3945 -4.3945 -3.3240 -3.3240 -0.9967 -0.9967 -0.0939 -0.0939 0.1481 0.1481 0.2746 0.2746 0.3537 0.3537 0.5929 0.5929 1.1355 1.1355 1.1772 1.1772 1.5571 1.5571 1.7096 1.7096 1.9756 1.9756 4.7720 4.7720 5.3280 5.3280 5.5041 5.5041 8.2185 8.2185 9.0244 9.0244 10.7541 10.7541 11.1888 11.1888 k =-0.1531-0.1717 0.0524 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6682 -22.6682 -22.6015 -22.6015 -18.0970 -18.0970 -18.0529 -18.0529 -16.3938 -16.3938 -16.2377 -16.2377 -8.4377 -8.4377 -7.8961 -7.8961 -6.3479 -6.3479 -6.2084 -6.2084 -6.0910 -6.0910 -5.9634 -5.9634 -5.3754 -5.3754 -4.8545 -4.8545 -4.5799 -4.5799 -4.5066 -4.5066 -4.4196 -4.4196 -4.3942 -4.3942 -3.3285 -3.3285 -0.9887 -0.9887 -0.1003 -0.1003 0.1529 0.1529 0.2752 0.2752 0.3574 0.3574 0.5894 0.5894 1.1366 1.1366 1.1774 1.1774 1.5613 1.5613 1.7074 1.7074 1.9751 1.9751 4.7634 4.7634 5.3065 5.3065 5.4977 5.4977 8.2104 8.2104 9.0413 9.0413 10.7787 10.7787 11.1885 11.1885 k =-0.1429-0.1603 0.0489 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6694 -22.6694 -22.6006 -22.6006 -18.0969 -18.0969 -18.0520 -18.0520 -16.3944 -16.3944 -16.2372 -16.2372 -8.4373 -8.4373 -7.9024 -7.9024 -6.3546 -6.3546 -6.2058 -6.2058 -6.0857 -6.0857 -5.9584 -5.9584 -5.3828 -5.3828 -4.8440 -4.8440 -4.5786 -4.5786 -4.5051 -4.5051 -4.4215 -4.4215 -4.3939 -4.3939 -3.3331 -3.3331 -0.9809 -0.9809 -0.1068 -0.1068 0.1571 0.1571 0.2761 0.2761 0.3610 0.3610 0.5857 0.5857 1.1375 1.1375 1.1774 1.1774 1.5651 1.5651 1.7065 1.7065 1.9746 1.9746 4.7547 4.7547 5.2831 5.2831 5.4924 5.4924 8.2039 8.2039 9.0581 9.0581 10.8026 10.8026 11.1876 11.1876 k =-0.1327-0.1488 0.0454 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6705 -22.6705 -22.5998 -22.5998 -18.0968 -18.0968 -18.0511 -18.0511 -16.3950 -16.3950 -16.2368 -16.2368 -8.4366 -8.4366 -7.9093 -7.9093 -6.3611 -6.3611 -6.2034 -6.2034 -6.0799 -6.0799 -5.9533 -5.9533 -5.3902 -5.3902 -4.8329 -4.8329 -4.5772 -4.5772 -4.5047 -4.5047 -4.4233 -4.4233 -4.3935 -4.3935 -3.3376 -3.3376 -0.9735 -0.9735 -0.1132 -0.1132 0.1609 0.1609 0.2773 0.2773 0.3644 0.3644 0.5819 0.5819 1.1385 1.1385 1.1774 1.1774 1.5686 1.5686 1.7070 1.7070 1.9742 1.9742 4.7463 4.7463 5.2584 5.2584 5.4881 5.4881 8.1989 8.1989 9.0745 9.0745 10.8258 10.8258 11.1858 11.1858 k =-0.1224-0.1374 0.0419 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6716 -22.6716 -22.5990 -22.5990 -18.0966 -18.0966 -18.0503 -18.0503 -16.3956 -16.3956 -16.2365 -16.2365 -8.4354 -8.4354 -7.9167 -7.9167 -6.3674 -6.3674 -6.2014 -6.2014 -6.0736 -6.0736 -5.9482 -5.9482 -5.3974 -5.3974 -4.8215 -4.8215 -4.5757 -4.5757 -4.5053 -4.5053 -4.4248 -4.4248 -4.3930 -4.3930 -3.3420 -3.3420 -0.9665 -0.9665 -0.1196 -0.1196 0.1640 0.1640 0.2789 0.2789 0.3676 0.3676 0.5780 0.5780 1.1394 1.1394 1.1771 1.1771 1.5718 1.5718 1.7087 1.7087 1.9737 1.9737 4.7380 4.7380 5.2328 5.2328 5.4847 5.4847 8.1951 8.1951 9.0904 9.0904 10.8483 10.8483 11.1832 11.1832 k =-0.1122-0.1259 0.0384 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6726 -22.6726 -22.5983 -22.5983 -18.0965 -18.0965 -18.0495 -18.0495 -16.3961 -16.3961 -16.2362 -16.2362 -8.4338 -8.4338 -7.9246 -7.9246 -6.3733 -6.3733 -6.1997 -6.1997 -6.0671 -6.0671 -5.9431 -5.9431 -5.4046 -5.4046 -4.8097 -4.8097 -4.5743 -4.5743 -4.5071 -4.5071 -4.4259 -4.4259 -4.3924 -4.3924 -3.3463 -3.3463 -0.9598 -0.9598 -0.1259 -0.1259 0.1665 0.1665 0.2808 0.2808 0.3704 0.3704 0.5742 0.5742 1.1403 1.1403 1.1767 1.1767 1.5747 1.5747 1.7118 1.7118 1.9731 1.9731 4.7300 4.7300 5.2069 5.2069 5.4821 5.4821 8.1926 8.1926 9.1055 9.1055 10.8700 10.8700 11.1796 11.1796 k =-0.1020-0.1145 0.0349 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6735 -22.6735 -22.5976 -22.5976 -18.0964 -18.0964 -18.0487 -18.0487 -16.3965 -16.3965 -16.2359 -16.2359 -8.4320 -8.4320 -7.9326 -7.9326 -6.3789 -6.3789 -6.1984 -6.1984 -6.0605 -6.0605 -5.9379 -5.9379 -5.4115 -5.4115 -4.7978 -4.7978 -4.5729 -4.5729 -4.5099 -4.5099 -4.4266 -4.4266 -4.3918 -4.3918 -3.3504 -3.3504 -0.9536 -0.9536 -0.1320 -0.1320 0.1684 0.1684 0.2831 0.2831 0.3728 0.3728 0.5705 0.5705 1.1412 1.1412 1.1760 1.1760 1.5773 1.5773 1.7159 1.7159 1.9724 1.9724 4.7224 4.7224 5.1811 5.1811 5.4801 5.4801 8.1909 8.1909 9.1197 9.1197 10.8908 10.8908 11.1752 11.1752 k =-0.0918-0.1030 0.0314 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6744 -22.6744 -22.5970 -22.5970 -18.0963 -18.0963 -18.0481 -18.0481 -16.3969 -16.3969 -16.2357 -16.2357 -8.4298 -8.4298 -7.9408 -7.9408 -6.3842 -6.3842 -6.1973 -6.1973 -6.0540 -6.0540 -5.9327 -5.9327 -5.4182 -5.4182 -4.7857 -4.7857 -4.5716 -4.5716 -4.5137 -4.5137 -4.4270 -4.4270 -4.3912 -4.3912 -3.3543 -3.3543 -0.9477 -0.9477 -0.1379 -0.1379 0.1697 0.1697 0.2857 0.2857 0.3746 0.3746 0.5669 0.5669 1.1421 1.1421 1.1752 1.1752 1.5797 1.5797 1.7210 1.7210 1.9716 1.9716 4.7152 4.7152 5.1560 5.1560 5.4786 5.4786 8.1901 8.1901 9.1328 9.1328 10.9107 10.9107 11.1699 11.1699 k =-0.0816-0.0916 0.0279 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6752 -22.6752 -22.5965 -22.5965 -18.0961 -18.0961 -18.0474 -18.0474 -16.3973 -16.3973 -16.2355 -16.2355 -8.4275 -8.4275 -7.9487 -7.9487 -6.3890 -6.3890 -6.1965 -6.1965 -6.0478 -6.0478 -5.9275 -5.9275 -5.4245 -5.4245 -4.7737 -4.7737 -4.5705 -4.5705 -4.5182 -4.5182 -4.4270 -4.4270 -4.3906 -4.3906 -3.3579 -3.3579 -0.9424 -0.9424 -0.1434 -0.1434 0.1707 0.1707 0.2885 0.2885 0.3760 0.3760 0.5636 0.5636 1.1432 1.1432 1.1741 1.1741 1.5819 1.5819 1.7268 1.7268 1.9706 1.9706 4.7085 4.7085 5.1321 5.1321 5.4776 5.4776 8.1899 8.1899 9.1449 9.1449 10.9296 10.9296 11.1640 11.1640 k =-0.0714-0.0801 0.0244 ( 8045 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6759 -22.6759 -22.5960 -22.5960 -18.0960 -18.0960 -18.0469 -18.0469 -16.3976 -16.3976 -16.2353 -16.2353 -8.4252 -8.4252 -7.9564 -7.9564 -6.3934 -6.3934 -6.1959 -6.1959 -6.0420 -6.0420 -5.9225 -5.9225 -5.4304 -5.4304 -4.7619 -4.7619 -4.5699 -4.5699 -4.5231 -4.5231 -4.4268 -4.4268 -4.3899 -4.3899 -3.3612 -3.3612 -0.9375 -0.9375 -0.1485 -0.1485 0.1712 0.1712 0.2915 0.2915 0.3768 0.3768 0.5606 0.5606 1.1442 1.1442 1.1728 1.1728 1.5839 1.5839 1.7329 1.7329 1.9696 1.9696 4.7024 4.7024 5.1097 5.1097 5.4768 5.4768 8.1902 8.1902 9.1556 9.1556 10.9473 10.9473 11.1575 11.1575 k =-0.0612-0.0687 0.0209 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6765 -22.6765 -22.5955 -22.5955 -18.0959 -18.0959 -18.0464 -18.0464 -16.3979 -16.3979 -16.2352 -16.2352 -8.4228 -8.4228 -7.9635 -7.9635 -6.3973 -6.3973 -6.1954 -6.1954 -6.0368 -6.0368 -5.9178 -5.9178 -5.4358 -5.4358 -4.7506 -4.7506 -4.5698 -4.5698 -4.5280 -4.5280 -4.4266 -4.4266 -4.3892 -4.3892 -3.3642 -3.3642 -0.9332 -0.9332 -0.1531 -0.1531 0.1715 0.1715 0.2945 0.2945 0.3771 0.3771 0.5580 0.5580 1.1454 1.1454 1.1714 1.1714 1.5856 1.5856 1.7392 1.7392 1.9684 1.9684 4.6970 4.6970 5.0893 5.0893 5.4764 5.4764 8.1908 8.1908 9.1651 9.1651 10.9639 10.9639 11.1505 11.1505 k =-0.0510-0.0572 0.0175 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6770 -22.6770 -22.5952 -22.5952 -18.0958 -18.0958 -18.0460 -18.0460 -16.3981 -16.3981 -16.2351 -16.2351 -8.4206 -8.4206 -7.9700 -7.9700 -6.4006 -6.4006 -6.1951 -6.1951 -6.0322 -6.0322 -5.9134 -5.9134 -5.4405 -5.4405 -4.7399 -4.7399 -4.5704 -4.5704 -4.5324 -4.5324 -4.4263 -4.4263 -4.3886 -4.3886 -3.3668 -3.3668 -0.9294 -0.9294 -0.1572 -0.1572 0.1715 0.1715 0.2974 0.2974 0.3771 0.3771 0.5557 0.5557 1.1467 1.1467 1.1698 1.1698 1.5871 1.5871 1.7453 1.7453 1.9671 1.9671 4.6923 4.6923 5.0714 5.0714 5.4761 5.4761 8.1915 8.1915 9.1732 9.1732 10.9792 10.9792 11.1433 11.1433 k =-0.0408-0.0458 0.0140 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6774 -22.6774 -22.5948 -22.5948 -18.0958 -18.0958 -18.0456 -18.0456 -16.3983 -16.3983 -16.2351 -16.2351 -8.4185 -8.4185 -7.9755 -7.9755 -6.4034 -6.4034 -6.1949 -6.1949 -6.0285 -6.0285 -5.9096 -5.9096 -5.4446 -5.4446 -4.7302 -4.7302 -4.5719 -4.5719 -4.5360 -4.5360 -4.4260 -4.4260 -4.3881 -4.3881 -3.3690 -3.3690 -0.9263 -0.9263 -0.1606 -0.1606 0.1715 0.1715 0.3001 0.3001 0.3768 0.3768 0.5538 0.5538 1.1479 1.1479 1.1683 1.1683 1.5884 1.5884 1.7508 1.7508 1.9659 1.9659 4.6883 4.6883 5.0562 5.0562 5.4759 5.4759 8.1923 8.1923 9.1799 9.1799 10.9928 10.9928 11.1361 11.1361 k =-0.0306-0.0343 0.0105 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6777 -22.6777 -22.5946 -22.5946 -18.0957 -18.0957 -18.0453 -18.0453 -16.3984 -16.3984 -16.2350 -16.2350 -8.4168 -8.4168 -7.9800 -7.9800 -6.4056 -6.4056 -6.1947 -6.1947 -6.0255 -6.0255 -5.9064 -5.9064 -5.4479 -5.4479 -4.7219 -4.7219 -4.5740 -4.5740 -4.5386 -4.5386 -4.4258 -4.4258 -4.3876 -4.3876 -3.3707 -3.3707 -0.9238 -0.9238 -0.1633 -0.1633 0.1714 0.1714 0.3023 0.3023 0.3764 0.3764 0.5524 0.5524 1.1491 1.1491 1.1667 1.1667 1.5894 1.5894 1.7555 1.7555 1.9649 1.9649 4.6852 4.6852 5.0440 5.0440 5.4759 5.4759 8.1930 8.1930 9.1851 9.1851 11.0046 11.0046 11.1293 11.1293 k =-0.0204-0.0229 0.0070 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6780 -22.6780 -22.5944 -22.5944 -18.0956 -18.0956 -18.0451 -18.0451 -16.3985 -16.3985 -16.2350 -16.2350 -8.4156 -8.4156 -7.9834 -7.9834 -6.4071 -6.4071 -6.1946 -6.1946 -6.0234 -6.0234 -5.9041 -5.9041 -5.4503 -5.4503 -4.7155 -4.7155 -4.5763 -4.5763 -4.5402 -4.5402 -4.4256 -4.4256 -4.3872 -4.3872 -3.3720 -3.3720 -0.9220 -0.9220 -0.1653 -0.1653 0.1712 0.1712 0.3041 0.3041 0.3759 0.3759 0.5513 0.5513 1.1502 1.1502 1.1654 1.1654 1.5901 1.5901 1.7591 1.7591 1.9640 1.9640 4.6830 4.6830 5.0352 5.0352 5.4758 5.4758 8.1936 8.1936 9.1888 9.1888 11.0139 11.0139 11.1236 11.1236 k =-0.0102-0.0114 0.0035 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2350 -16.2350 -8.4148 -8.4148 -7.9854 -7.9854 -6.4081 -6.4081 -6.1946 -6.1946 -6.0221 -6.0221 -5.9026 -5.9026 -5.4517 -5.4517 -4.7113 -4.7113 -4.5780 -4.5780 -4.5410 -4.5410 -4.4255 -4.4255 -4.3870 -4.3870 -3.3728 -3.3728 -0.9209 -0.9209 -0.1665 -0.1665 0.1711 0.1711 0.3052 0.3052 0.3756 0.3756 0.5507 0.5507 1.1510 1.1510 1.1645 1.1645 1.5905 1.5905 1.7613 1.7613 1.9635 1.9635 4.6817 4.6817 5.0298 5.0298 5.4758 5.4758 8.1940 8.1940 9.1911 9.1911 11.0200 11.0200 11.1196 11.1196 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 k = 0.0000 0.0000 0.0159 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5944 -22.5944 -18.0956 -18.0956 -18.0450 -18.0450 -16.3985 -16.3985 -16.2351 -16.2351 -8.4146 -8.4146 -7.9858 -7.9858 -6.4080 -6.4080 -6.1945 -6.1945 -6.0217 -6.0217 -5.9025 -5.9025 -5.4521 -5.4521 -4.7101 -4.7101 -4.5785 -4.5785 -4.5413 -4.5413 -4.4256 -4.4256 -4.3874 -4.3874 -3.3725 -3.3725 -0.9215 -0.9215 -0.1666 -0.1666 0.1710 0.1710 0.3054 0.3054 0.3756 0.3756 0.5504 0.5504 1.1513 1.1513 1.1641 1.1641 1.5907 1.5907 1.7617 1.7617 1.9636 1.9636 4.6815 4.6815 5.0299 5.0299 5.4755 5.4755 8.1946 8.1946 9.1920 9.1920 11.0155 11.0155 11.1140 11.1140 k = 0.0000 0.0000 0.0318 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6779 -22.6779 -22.5946 -22.5946 -18.0955 -18.0955 -18.0451 -18.0451 -16.3982 -16.3982 -16.2355 -16.2355 -8.4150 -8.4150 -7.9848 -7.9848 -6.4066 -6.4066 -6.1942 -6.1942 -6.0218 -6.0218 -5.9036 -5.9036 -5.4519 -5.4519 -4.7108 -4.7108 -4.5781 -4.5781 -4.5411 -4.5411 -4.4262 -4.4262 -4.3887 -4.3887 -3.3711 -3.3711 -0.9243 -0.9243 -0.1658 -0.1658 0.1706 0.1706 0.3047 0.3047 0.3758 0.3758 0.5501 0.5501 1.1512 1.1512 1.1640 1.1640 1.5907 1.5907 1.7605 1.7605 1.9645 1.9645 4.6824 4.6824 5.0355 5.0355 5.4745 5.4745 8.1962 8.1962 9.1926 9.1926 10.9942 10.9942 11.1059 11.1059 k = 0.0000 0.0000 0.0477 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6776 -22.6776 -22.5949 -22.5949 -18.0953 -18.0953 -18.0453 -18.0453 -16.3976 -16.3976 -16.2361 -16.2361 -8.4155 -8.4155 -7.9832 -7.9832 -6.4043 -6.4043 -6.1937 -6.1937 -6.0220 -6.0220 -5.9055 -5.9055 -5.4515 -5.4515 -4.7119 -4.7119 -4.5774 -4.5774 -4.5409 -4.5409 -4.4272 -4.4272 -4.3907 -4.3907 -3.3688 -3.3688 -0.9290 -0.9290 -0.1643 -0.1643 0.1700 0.1700 0.3038 0.3038 0.3761 0.3761 0.5497 0.5497 1.1512 1.1512 1.1639 1.1639 1.5907 1.5907 1.7586 1.7586 1.9659 1.9659 4.6839 4.6839 5.0448 5.0448 5.4730 5.4730 8.1989 8.1989 9.1936 9.1936 10.9574 10.9574 11.0997 11.0997 k = 0.0000 0.0000 0.0635 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6771 -22.6771 -22.5953 -22.5953 -18.0951 -18.0951 -18.0456 -18.0456 -16.3969 -16.3969 -16.2370 -16.2370 -8.4163 -8.4163 -7.9810 -7.9810 -6.4011 -6.4011 -6.1929 -6.1929 -6.0223 -6.0223 -5.9081 -5.9081 -5.4509 -5.4509 -4.7133 -4.7133 -4.5764 -4.5764 -4.5407 -4.5407 -4.4285 -4.4285 -4.3936 -4.3936 -3.3655 -3.3655 -0.9355 -0.9355 -0.1623 -0.1623 0.1692 0.1692 0.3024 0.3024 0.3765 0.3765 0.5492 0.5492 1.1511 1.1511 1.1636 1.1636 1.5907 1.5907 1.7560 1.7560 1.9679 1.9679 4.6861 4.6861 5.0575 5.0575 5.4707 5.4707 8.2027 8.2027 9.1949 9.1949 10.9086 10.9086 11.0971 11.0971 k = 0.0000 0.0000 0.0794 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6765 -22.6765 -22.5959 -22.5959 -18.0949 -18.0949 -18.0459 -18.0459 -16.3959 -16.3959 -16.2382 -16.2382 -8.4173 -8.4173 -7.9782 -7.9782 -6.3970 -6.3970 -6.1920 -6.1920 -6.0226 -6.0226 -5.9114 -5.9114 -5.4502 -5.4502 -4.7150 -4.7150 -4.5754 -4.5754 -4.5404 -4.5404 -4.4303 -4.4303 -4.3970 -4.3970 -3.3614 -3.3614 -0.9437 -0.9437 -0.1597 -0.1597 0.1680 0.1680 0.3007 0.3007 0.3770 0.3770 0.5485 0.5485 1.1510 1.1510 1.1634 1.1634 1.5906 1.5906 1.7528 1.7528 1.9703 1.9703 4.6889 4.6889 5.0736 5.0736 5.4679 5.4679 8.2077 8.2077 9.1966 9.1966 10.8521 10.8521 11.0969 11.0969 k = 0.0000 0.0000 0.0953 ( 8048 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6758 -22.6758 -22.5966 -22.5966 -18.0945 -18.0945 -18.0463 -18.0463 -16.3948 -16.3948 -16.2396 -16.2396 -8.4186 -8.4186 -7.9748 -7.9748 -6.3922 -6.3922 -6.1909 -6.1909 -6.0231 -6.0231 -5.9155 -5.9155 -5.4494 -5.4494 -4.7169 -4.7169 -4.5742 -4.5742 -4.5400 -4.5400 -4.4325 -4.4325 -4.4010 -4.4010 -3.3566 -3.3566 -0.9534 -0.9534 -0.1567 -0.1567 0.1666 0.1666 0.2986 0.2986 0.3775 0.3775 0.5479 0.5479 1.1508 1.1508 1.1631 1.1631 1.5906 1.5906 1.7492 1.7492 1.9731 1.9731 4.6922 4.6922 5.0926 5.0926 5.4645 5.4645 8.2137 8.2137 9.1984 9.1984 10.7912 10.7912 11.0980 11.0980 k = 0.0000 0.0000 0.1112 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6749 -22.6749 -22.5974 -22.5974 -18.0941 -18.0941 -18.0468 -18.0468 -16.3935 -16.3935 -16.2412 -16.2412 -8.4199 -8.4199 -7.9709 -7.9709 -6.3865 -6.3865 -6.1896 -6.1896 -6.0236 -6.0236 -5.9201 -5.9201 -5.4485 -5.4485 -4.7190 -4.7190 -4.5731 -4.5731 -4.5396 -4.5396 -4.4354 -4.4354 -4.4053 -4.4053 -3.3509 -3.3509 -0.9645 -0.9645 -0.1533 -0.1533 0.1648 0.1648 0.2962 0.2962 0.3781 0.3781 0.5473 0.5473 1.1505 1.1505 1.1628 1.1628 1.5906 1.5906 1.7452 1.7452 1.9763 1.9763 4.6963 4.6963 5.1143 5.1143 5.4606 5.4606 8.2209 8.2209 9.2005 9.2005 10.7277 10.7277 11.0997 11.0997 k = 0.0000 0.0000 0.1271 ( 8051 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6740 -22.6740 -22.5984 -22.5984 -18.0937 -18.0937 -18.0473 -18.0473 -16.3919 -16.3919 -16.2431 -16.2431 -8.4215 -8.4215 -7.9666 -7.9666 -6.3801 -6.3801 -6.1882 -6.1882 -6.0243 -6.0243 -5.9254 -5.9254 -5.4475 -5.4475 -4.7211 -4.7211 -4.5720 -4.5720 -4.5391 -4.5391 -4.4389 -4.4389 -4.4096 -4.4096 -3.3446 -3.3446 -0.9770 -0.9770 -0.1495 -0.1495 0.1627 0.1627 0.2935 0.2935 0.3786 0.3786 0.5468 0.5468 1.1499 1.1499 1.1625 1.1625 1.5906 1.5906 1.7410 1.7410 1.9797 1.9797 4.7009 4.7009 5.1384 5.1384 5.4562 5.4562 8.2293 8.2293 9.2026 9.2026 10.6628 10.6628 11.1016 11.1016 k = 0.0000 0.0000 0.1430 ( 8056 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6729 -22.6729 -22.5994 -22.5994 -18.0932 -18.0932 -18.0479 -18.0479 -16.3902 -16.3902 -16.2451 -16.2451 -8.4231 -8.4231 -7.9619 -7.9619 -6.3729 -6.3729 -6.1865 -6.1865 -6.0250 -6.0250 -5.9312 -5.9312 -5.4465 -5.4465 -4.7231 -4.7231 -4.5712 -4.5712 -4.5387 -4.5387 -4.4434 -4.4434 -4.4136 -4.4136 -3.3376 -3.3376 -0.9905 -0.9905 -0.1453 -0.1453 0.1603 0.1603 0.2905 0.2905 0.3791 0.3791 0.5465 0.5465 1.1492 1.1492 1.1624 1.1624 1.5906 1.5906 1.7366 1.7366 1.9834 1.9834 4.7061 4.7061 5.1644 5.1644 5.4514 5.4514 8.2389 8.2389 9.2046 9.2046 10.5976 10.5976 11.1032 11.1032 k = 0.0000 0.0000 0.1588 ( 8061 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6717 -22.6717 -22.6006 -22.6006 -18.0927 -18.0927 -18.0486 -18.0486 -16.3883 -16.3883 -16.2474 -16.2474 -8.4249 -8.4249 -7.9568 -7.9568 -6.3652 -6.3652 -6.1847 -6.1847 -6.0259 -6.0259 -5.9376 -5.9376 -5.4454 -5.4454 -4.7250 -4.7250 -4.5706 -4.5706 -4.5383 -4.5383 -4.4488 -4.4488 -4.4171 -4.4171 -3.3302 -3.3302 -1.0049 -1.0049 -0.1409 -0.1409 0.1575 0.1575 0.2873 0.2873 0.3795 0.3795 0.5463 0.5463 1.1483 1.1483 1.1624 1.1624 1.5906 1.5906 1.7323 1.7323 1.9872 1.9872 4.7119 4.7119 5.1920 5.1920 5.4463 5.4463 8.2497 8.2497 9.2066 9.2066 10.5326 10.5326 11.1040 11.1040 k = 0.0000 0.0000 0.1747 ( 8064 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6704 -22.6704 -22.6018 -22.6018 -18.0921 -18.0921 -18.0493 -18.0493 -16.3863 -16.3863 -16.2498 -16.2498 -8.4267 -8.4267 -7.9514 -7.9514 -6.3568 -6.3568 -6.1828 -6.1828 -6.0270 -6.0270 -5.9444 -5.9444 -5.4444 -5.4444 -4.7267 -4.7267 -4.5703 -4.5703 -4.5378 -4.5378 -4.4552 -4.4552 -4.4199 -4.4199 -3.3223 -3.3223 -1.0200 -1.0200 -0.1364 -0.1364 0.1545 0.1545 0.2838 0.2838 0.3799 0.3799 0.5464 0.5464 1.1471 1.1471 1.1625 1.1625 1.5907 1.5907 1.7279 1.7279 1.9911 1.9911 4.7181 4.7181 5.2206 5.2206 5.4410 5.4410 8.2618 8.2618 9.2082 9.2082 10.4683 10.4683 11.1040 11.1040 k = 0.0000 0.0000 0.1906 ( 8063 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6690 -22.6690 -22.6032 -22.6032 -18.0915 -18.0915 -18.0500 -18.0500 -16.3841 -16.3841 -16.2524 -16.2524 -8.4286 -8.4286 -7.9458 -7.9458 -6.3480 -6.3480 -6.1806 -6.1806 -6.0282 -6.0282 -5.9516 -5.9516 -5.4433 -5.4433 -4.7281 -4.7281 -4.5704 -4.5704 -4.5374 -4.5374 -4.4624 -4.4624 -4.4221 -4.4221 -3.3141 -3.3141 -1.0356 -1.0356 -0.1317 -0.1317 0.1511 0.1511 0.2801 0.2801 0.3802 0.3802 0.5468 0.5468 1.1456 1.1456 1.1629 1.1629 1.5908 1.5908 1.7237 1.7237 1.9951 1.9951 4.7248 4.7248 5.2498 5.2498 5.4357 5.4357 8.2751 8.2751 9.2094 9.2094 10.4053 10.4053 11.1027 11.1027 k = 0.0000 0.0000 0.2065 ( 8069 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6675 -22.6675 -22.6046 -22.6046 -18.0908 -18.0908 -18.0508 -18.0508 -16.3818 -16.3818 -16.2552 -16.2552 -8.4306 -8.4306 -7.9401 -7.9401 -6.3387 -6.3387 -6.1784 -6.1784 -6.0296 -6.0296 -5.9592 -5.9592 -5.4423 -5.4423 -4.7292 -4.7292 -4.5710 -4.5710 -4.5371 -4.5371 -4.4703 -4.4703 -4.4238 -4.4238 -3.3056 -3.3056 -1.0515 -1.0515 -0.1270 -0.1270 0.1476 0.1476 0.2763 0.2763 0.3805 0.3805 0.5474 0.5474 1.1440 1.1440 1.1635 1.1635 1.5909 1.5909 1.7196 1.7196 1.9991 1.9991 4.7318 4.7318 5.2789 5.2789 5.4307 5.4307 8.2896 8.2896 9.2099 9.2099 10.3441 10.3441 11.1000 11.1000 k = 0.0000 0.0000 0.2224 ( 8066 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6660 -22.6660 -22.6062 -22.6062 -18.0901 -18.0901 -18.0517 -18.0517 -16.3793 -16.3793 -16.2581 -16.2581 -8.4325 -8.4325 -7.9343 -7.9343 -6.3291 -6.3291 -6.1760 -6.1760 -6.0312 -6.0312 -5.9669 -5.9669 -5.4414 -5.4414 -4.7298 -4.7298 -4.5721 -4.5721 -4.5367 -4.5367 -4.4785 -4.4785 -4.4249 -4.4249 -3.2971 -3.2971 -1.0675 -1.0675 -0.1223 -0.1223 0.1439 0.1439 0.2723 0.2723 0.3807 0.3807 0.5482 0.5482 1.1422 1.1422 1.1641 1.1641 1.5910 1.5910 1.7158 1.7158 2.0030 2.0030 4.7391 4.7391 5.3070 5.3070 5.4266 5.4266 8.3052 8.3052 9.2096 9.2096 10.2849 10.2849 11.0959 11.0959 k = 0.0000 0.0000 0.2383 ( 8065 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6643 -22.6643 -22.6078 -22.6078 -18.0894 -18.0894 -18.0525 -18.0525 -16.3767 -16.3767 -16.2611 -16.2611 -8.4344 -8.4344 -7.9285 -7.9285 -6.3192 -6.3192 -6.1734 -6.1734 -6.0332 -6.0332 -5.9747 -5.9747 -5.4405 -5.4405 -4.7300 -4.7300 -4.5738 -4.5738 -4.5364 -4.5364 -4.4868 -4.4868 -4.4256 -4.4256 -3.2885 -3.2885 -1.0833 -1.0833 -0.1178 -0.1178 0.1401 0.1401 0.2683 0.2683 0.3809 0.3809 0.5493 0.5493 1.1404 1.1404 1.1649 1.1649 1.5912 1.5912 1.7121 1.7121 2.0069 2.0069 4.7466 4.7466 5.3324 5.3324 5.4246 5.4246 8.3220 8.3220 9.2082 9.2082 10.2284 10.2284 11.0903 11.0903 k = 0.0000 0.0000 0.2542 ( 8070 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6626 -22.6626 -22.6094 -22.6094 -18.0887 -18.0887 -18.0534 -18.0534 -16.3741 -16.3741 -16.2641 -16.2641 -8.4363 -8.4363 -7.9228 -7.9228 -6.3092 -6.3092 -6.1708 -6.1708 -6.0356 -6.0356 -5.9825 -5.9825 -5.4397 -5.4397 -4.7297 -4.7297 -4.5761 -4.5761 -4.5362 -4.5362 -4.4950 -4.4950 -4.4260 -4.4260 -3.2800 -3.2800 -1.0989 -1.0989 -0.1134 -0.1134 0.1363 0.1363 0.2642 0.2642 0.3810 0.3810 0.5505 0.5505 1.1384 1.1384 1.1657 1.1657 1.5913 1.5913 1.7088 1.7088 2.0106 2.0106 4.7542 4.7542 5.3525 5.3525 5.4273 5.4273 8.3398 8.3398 9.2057 9.2057 10.1749 10.1749 11.0833 11.0833 k = 0.0000 0.0000 0.2700 ( 8069 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6609 -22.6609 -22.6112 -22.6112 -18.0879 -18.0879 -18.0543 -18.0543 -16.3714 -16.3714 -16.2672 -16.2672 -8.4381 -8.4381 -7.9173 -7.9173 -6.2991 -6.2991 -6.1680 -6.1680 -6.0385 -6.0385 -5.9899 -5.9899 -5.4390 -5.4390 -4.7288 -4.7288 -4.5790 -4.5790 -4.5361 -4.5361 -4.5028 -4.5028 -4.4261 -4.4261 -3.2718 -3.2718 -1.1139 -1.1139 -0.1093 -0.1093 0.1325 0.1325 0.2603 0.2603 0.3812 0.3812 0.5519 0.5519 1.1365 1.1365 1.1666 1.1666 1.5915 1.5915 1.7057 1.7057 2.0142 2.0142 4.7617 4.7617 5.3640 5.3640 5.4375 5.4375 8.3584 8.3584 9.2018 9.2018 10.1249 10.1249 11.0751 11.0751 k = 0.0000 0.0000 0.2859 ( 8067 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6591 -22.6591 -22.6129 -22.6129 -18.0872 -18.0872 -18.0551 -18.0551 -16.3687 -16.3687 -16.2703 -16.2703 -8.4398 -8.4398 -7.9120 -7.9120 -6.2891 -6.2891 -6.1650 -6.1650 -6.0422 -6.0422 -5.9968 -5.9968 -5.4384 -5.4384 -4.7275 -4.7275 -4.5827 -4.5827 -4.5362 -4.5362 -4.5100 -4.5100 -4.4260 -4.4260 -3.2639 -3.2639 -1.1281 -1.1281 -0.1054 -0.1054 0.1289 0.1289 0.2564 0.2564 0.3813 0.3813 0.5534 0.5534 1.1347 1.1347 1.1674 1.1674 1.5916 1.5916 1.7029 1.7029 2.0176 2.0176 4.7691 4.7691 5.3672 5.3672 5.4547 5.4547 8.3776 8.3776 9.1964 9.1964 10.0788 10.0788 11.0660 11.0660 k = 0.0000 0.0000 0.3018 ( 8070 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6573 -22.6573 -22.6147 -22.6147 -18.0865 -18.0865 -18.0560 -18.0560 -16.3660 -16.3660 -16.2734 -16.2734 -8.4414 -8.4414 -7.9070 -7.9070 -6.2794 -6.2794 -6.1619 -6.1619 -6.0467 -6.0467 -6.0029 -6.0029 -5.4379 -5.4379 -4.7256 -4.7256 -4.5870 -4.5870 -4.5364 -4.5364 -4.5163 -4.5163 -4.4257 -4.4257 -3.2565 -3.2565 -1.1415 -1.1415 -0.1019 -0.1019 0.1254 0.1254 0.2527 0.2527 0.3814 0.3814 0.5548 0.5548 1.1329 1.1329 1.1682 1.1682 1.5918 1.5918 1.7004 1.7004 2.0207 2.0207 4.7762 4.7762 5.3657 5.3657 5.4749 5.4749 8.3971 8.3971 9.1896 9.1896 10.0371 10.0371 11.0564 11.0564 k = 0.0000 0.0000 0.3177 ( 8065 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6555 -22.6555 -22.6164 -22.6164 -18.0857 -18.0857 -18.0568 -18.0568 -16.3633 -16.3633 -16.2763 -16.2763 -8.4429 -8.4429 -7.9025 -7.9025 -6.2700 -6.2700 -6.1585 -6.1585 -6.0523 -6.0523 -6.0080 -6.0080 -5.4375 -5.4375 -4.7234 -4.7234 -4.5919 -4.5919 -4.5370 -4.5370 -4.5214 -4.5214 -4.4253 -4.4253 -3.2496 -3.2496 -1.1537 -1.1537 -0.0988 -0.0988 0.1223 0.1223 0.2493 0.2493 0.3815 0.3815 0.5563 0.5563 1.1313 1.1313 1.1690 1.1690 1.5919 1.5919 1.6982 1.6982 2.0235 2.0235 4.7829 4.7829 5.3623 5.3623 5.4954 5.4954 8.4166 8.4166 9.1815 9.1815 10.0000 10.0000 11.0466 11.0466 k = 0.0000 0.0000 0.3336 ( 8060 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6537 -22.6537 -22.6182 -22.6182 -18.0851 -18.0851 -18.0575 -18.0575 -16.3608 -16.3608 -16.2792 -16.2792 -8.4441 -8.4441 -7.8984 -7.8984 -6.2613 -6.2613 -6.1549 -6.1549 -6.0586 -6.0586 -6.0121 -6.0121 -5.4371 -5.4371 -4.7207 -4.7207 -4.5973 -4.5973 -4.5381 -4.5381 -4.5251 -4.5251 -4.4249 -4.4249 -3.2434 -3.2434 -1.1647 -1.1647 -0.0960 -0.0960 0.1195 0.1195 0.2462 0.2462 0.3816 0.3816 0.5577 0.5577 1.1299 1.1299 1.1697 1.1697 1.5921 1.5921 1.6963 1.6963 2.0260 2.0260 4.7890 4.7890 5.3583 5.3583 5.5145 5.5145 8.4356 8.4356 9.1723 9.1723 9.9678 9.9678 11.0371 11.0371 k = 0.0000 0.0000 0.3495 ( 8057 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6520 -22.6520 -22.6198 -22.6198 -18.0844 -18.0844 -18.0582 -18.0582 -16.3584 -16.3584 -16.2818 -16.2818 -8.4453 -8.4453 -7.8948 -7.8948 -6.2533 -6.2533 -6.1511 -6.1511 -6.0657 -6.0657 -6.0153 -6.0153 -5.4369 -5.4369 -4.7178 -4.7178 -4.6028 -4.6028 -4.5396 -4.5396 -4.5276 -4.5276 -4.4244 -4.4244 -3.2380 -3.2380 -1.1742 -1.1742 -0.0937 -0.0937 0.1170 0.1170 0.2434 0.2434 0.3816 0.3816 0.5590 0.5590 1.1286 1.1286 1.1704 1.1704 1.5922 1.5922 1.6947 1.6947 2.0282 2.0282 4.7945 4.7945 5.3542 5.3542 5.5316 5.5316 8.4535 8.4535 9.1625 9.1625 9.9406 9.9406 11.0283 11.0283 k = 0.0000 0.0000 0.3653 ( 8054 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6505 -22.6505 -22.6214 -22.6214 -18.0839 -18.0839 -18.0588 -18.0588 -16.3563 -16.3563 -16.2841 -16.2841 -8.4462 -8.4462 -7.8918 -7.8918 -6.2464 -6.2464 -6.1470 -6.1470 -6.0729 -6.0729 -6.0176 -6.0176 -5.4367 -5.4367 -4.7148 -4.7148 -4.6082 -4.6082 -4.5414 -4.5414 -4.5289 -4.5289 -4.4240 -4.4240 -3.2334 -3.2334 -1.1823 -1.1823 -0.0918 -0.0918 0.1150 0.1150 0.2411 0.2411 0.3817 0.3817 0.5601 0.5601 1.1276 1.1276 1.1709 1.1709 1.5923 1.5923 1.6934 1.6934 2.0300 2.0300 4.7992 4.7992 5.3506 5.3506 5.5460 5.5460 8.4696 8.4696 9.1529 9.1529 9.9185 9.9185 11.0205 11.0205 k = 0.0000 0.0000 0.3812 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6491 -22.6491 -22.6227 -22.6227 -18.0835 -18.0835 -18.0593 -18.0593 -16.3546 -16.3546 -16.2860 -16.2860 -8.4469 -8.4469 -7.8894 -7.8894 -6.2408 -6.2408 -6.1429 -6.1429 -6.0800 -6.0800 -6.0193 -6.0193 -5.4365 -5.4365 -4.7120 -4.7120 -4.6131 -4.6131 -4.5430 -4.5430 -4.5297 -4.5297 -4.4236 -4.4236 -3.2297 -3.2297 -1.1886 -1.1886 -0.0903 -0.0903 0.1134 0.1134 0.2393 0.2393 0.3817 0.3817 0.5610 0.5610 1.1267 1.1267 1.1714 1.1714 1.5923 1.5923 1.6924 1.6924 2.0315 2.0315 4.8030 4.8030 5.3475 5.3475 5.5576 5.5576 8.4833 8.4833 9.1441 9.1441 9.9015 9.9015 11.0140 11.0140 k = 0.0000 0.0000 0.3971 ( 8047 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6480 -22.6480 -22.6238 -22.6238 -18.0831 -18.0831 -18.0597 -18.0597 -16.3532 -16.3532 -16.2875 -16.2875 -8.4475 -8.4475 -7.8877 -7.8877 -6.2366 -6.2366 -6.1389 -6.1389 -6.0863 -6.0863 -6.0204 -6.0204 -5.4364 -5.4364 -4.7097 -4.7097 -4.6170 -4.6170 -4.5442 -4.5442 -4.5301 -4.5301 -4.4233 -4.4233 -3.2271 -3.2271 -1.1932 -1.1932 -0.0893 -0.0893 0.1123 0.1123 0.2380 0.2380 0.3817 0.3817 0.5616 0.5616 1.1261 1.1261 1.1717 1.1717 1.5924 1.5924 1.6917 1.6917 2.0325 2.0325 4.8058 4.8058 5.3452 5.3452 5.5660 5.5660 8.4937 8.4937 9.1370 9.1370 9.8894 9.8894 11.0092 11.0092 k = 0.0000 0.0000 0.4130 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6473 -22.6473 -22.6245 -22.6245 -18.0829 -18.0829 -18.0600 -18.0600 -16.3524 -16.3524 -16.2884 -16.2884 -8.4478 -8.4478 -7.8866 -7.8866 -6.2340 -6.2340 -6.1358 -6.1358 -6.0908 -6.0908 -6.0211 -6.0211 -5.4364 -5.4364 -4.7081 -4.7081 -4.6195 -4.6195 -4.5450 -4.5450 -4.5303 -4.5303 -4.4232 -4.4232 -3.2255 -3.2255 -1.1960 -1.1960 -0.0886 -0.0886 0.1116 0.1116 0.2371 0.2371 0.3818 0.3818 0.5620 0.5620 1.1258 1.1258 1.1719 1.1719 1.5924 1.5924 1.6912 1.6912 2.0331 2.0331 4.8075 4.8075 5.3438 5.3438 5.5711 5.5711 8.5003 8.5003 9.1325 9.1325 9.8822 9.8822 11.0062 11.0062 k = 0.0000 0.0000 0.4289 ( 8040 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6471 -22.6471 -22.6247 -22.6247 -18.0828 -18.0828 -18.0600 -18.0600 -16.3521 -16.3521 -16.2887 -16.2887 -8.4479 -8.4479 -7.8863 -7.8863 -6.2331 -6.2331 -6.1346 -6.1346 -6.0925 -6.0925 -6.0213 -6.0213 -5.4363 -5.4363 -4.7076 -4.7076 -4.6204 -4.6204 -4.5452 -4.5452 -4.5303 -4.5303 -4.4231 -4.4231 -3.2249 -3.2249 -1.1969 -1.1969 -0.0884 -0.0884 0.1113 0.1113 0.2368 0.2368 0.3818 0.3818 0.5622 0.5622 1.1257 1.1257 1.1720 1.1720 1.5925 1.5925 1.6911 1.6911 2.0333 2.0333 4.8080 4.8080 5.3433 5.3433 5.5728 5.5728 8.5025 8.5025 9.1309 9.1309 9.8798 9.8798 11.0052 11.0052 k = 0.0000-0.4693 0.3821 ( 8012 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6340 -22.6340 -22.6302 -22.6302 -18.1055 -18.1055 -18.0793 -18.0793 -16.3937 -16.3937 -16.2199 -16.2199 -8.3800 -8.3800 -7.8665 -7.8665 -6.1937 -6.1937 -6.1315 -6.1315 -6.1114 -6.1114 -6.0135 -6.0135 -5.2414 -5.2414 -4.8513 -4.8513 -4.7024 -4.7024 -4.5739 -4.5739 -4.5230 -4.5230 -4.4935 -4.4935 -3.3551 -3.3551 -0.9305 -0.9305 0.0219 0.0219 0.0818 0.0818 0.1235 0.1235 0.2767 0.2767 0.5964 0.5964 1.0555 1.0555 1.1457 1.1457 1.5181 1.5181 1.7206 1.7206 1.9861 1.9861 4.7802 4.7802 5.3761 5.3761 5.5618 5.5618 8.7775 8.7775 9.3828 9.3828 9.8993 9.8993 10.4902 10.4902 k = 0.0000-0.4573 0.3723 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6346 -22.6346 -22.6297 -22.6297 -18.1055 -18.1055 -18.0793 -18.0793 -16.3937 -16.3937 -16.2199 -16.2199 -8.3803 -8.3803 -7.8664 -7.8664 -6.1942 -6.1942 -6.1317 -6.1317 -6.1113 -6.1113 -6.0134 -6.0134 -5.2419 -5.2419 -4.8512 -4.8512 -4.7022 -4.7022 -4.5739 -4.5739 -4.5224 -4.5224 -4.4934 -4.4934 -3.3551 -3.3551 -0.9305 -0.9305 0.0221 0.0221 0.0819 0.0819 0.1237 0.1237 0.2767 0.2767 0.5963 0.5963 1.0553 1.0553 1.1459 1.1459 1.5182 1.5182 1.7203 1.7203 1.9863 1.9863 4.7798 4.7798 5.3765 5.3765 5.5613 5.5613 8.7717 8.7717 9.3880 9.3880 9.9028 9.9028 10.4889 10.4889 k = 0.0000-0.4452 0.3625 ( 8010 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6358 -22.6358 -22.6285 -22.6285 -18.1055 -18.1055 -18.0791 -18.0791 -16.3937 -16.3937 -16.2200 -16.2200 -8.3810 -8.3810 -7.8660 -7.8660 -6.1955 -6.1955 -6.1321 -6.1321 -6.1111 -6.1111 -6.0130 -6.0130 -5.2432 -5.2432 -4.8509 -4.8509 -4.7014 -4.7014 -4.5739 -4.5739 -4.5206 -4.5206 -4.4932 -4.4932 -3.3551 -3.3551 -0.9305 -0.9305 0.0224 0.0224 0.0823 0.0823 0.1241 0.1241 0.2770 0.2770 0.5960 0.5960 1.0547 1.0547 1.1467 1.1467 1.5187 1.5187 1.7194 1.7194 1.9867 1.9867 4.7785 4.7785 5.3777 5.3777 5.5600 5.5600 8.7551 8.7551 9.4029 9.4029 9.9133 9.9133 10.4852 10.4852 k = 0.0000-0.4332 0.3527 ( 8013 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6372 -22.6372 -22.6272 -22.6272 -18.1054 -18.1054 -18.0788 -18.0788 -16.3937 -16.3937 -16.2201 -16.2201 -8.3823 -8.3823 -7.8654 -7.8654 -6.1977 -6.1977 -6.1328 -6.1328 -6.1107 -6.1107 -6.0124 -6.0124 -5.2454 -5.2454 -4.8504 -4.8504 -4.7002 -4.7002 -4.5737 -4.5737 -4.5178 -4.5178 -4.4927 -4.4927 -3.3551 -3.3551 -0.9305 -0.9305 0.0229 0.0229 0.0830 0.0830 0.1248 0.1248 0.2775 0.2775 0.5956 0.5956 1.0537 1.0537 1.1479 1.1479 1.5195 1.5195 1.7179 1.7179 1.9873 1.9873 4.7763 4.7763 5.3795 5.3795 5.5578 5.5578 8.7295 8.7295 9.4254 9.4254 9.9308 9.9308 10.4793 10.4793 k = 0.0000-0.4212 0.3429 ( 8012 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6386 -22.6386 -22.6258 -22.6258 -18.1054 -18.1054 -18.0783 -18.0783 -16.3938 -16.3938 -16.2202 -16.2202 -8.3840 -8.3840 -7.8646 -7.8646 -6.2007 -6.2007 -6.1338 -6.1338 -6.1101 -6.1101 -6.0115 -6.0115 -5.2484 -5.2484 -4.8499 -4.8499 -4.6986 -4.6986 -4.5732 -4.5732 -4.5142 -4.5142 -4.4919 -4.4919 -3.3551 -3.3551 -0.9304 -0.9304 0.0233 0.0233 0.0841 0.0841 0.1260 0.1260 0.2781 0.2781 0.5949 0.5949 1.0524 1.0524 1.1494 1.1494 1.5205 1.5205 1.7159 1.7159 1.9882 1.9882 4.7734 4.7734 5.3820 5.3820 5.5548 5.5548 8.6974 8.6974 9.4530 9.4530 9.9552 9.9552 10.4713 10.4713 k = 0.0000-0.4091 0.3331 ( 8008 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6402 -22.6402 -22.6244 -22.6244 -18.1053 -18.1053 -18.0778 -18.0778 -16.3939 -16.3939 -16.2205 -16.2205 -8.3861 -8.3861 -7.8637 -7.8637 -6.2045 -6.2045 -6.1351 -6.1351 -6.1093 -6.1093 -6.0106 -6.0106 -5.2520 -5.2520 -4.8493 -4.8493 -4.6965 -4.6965 -4.5723 -4.5723 -4.5104 -4.5104 -4.4905 -4.4905 -3.3552 -3.3552 -0.9304 -0.9304 0.0235 0.0235 0.0856 0.0856 0.1277 0.1277 0.2791 0.2791 0.5941 0.5941 1.0510 1.0510 1.1513 1.1513 1.5219 1.5219 1.7133 1.7133 1.9892 1.9892 4.7698 4.7698 5.3851 5.3851 5.5509 5.5509 8.6607 8.6607 9.4835 9.4835 9.9864 9.9864 10.4618 10.4618 k = 0.0000-0.3971 0.3233 ( 8013 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6417 -22.6417 -22.6230 -22.6230 -18.1051 -18.1051 -18.0772 -18.0772 -16.3939 -16.3939 -16.2207 -16.2207 -8.3886 -8.3886 -7.8627 -7.8627 -6.2089 -6.2089 -6.1368 -6.1368 -6.1082 -6.1082 -6.0095 -6.0095 -5.2562 -5.2562 -4.8487 -4.8487 -4.6939 -4.6939 -4.5710 -4.5710 -4.5067 -4.5067 -4.4882 -4.4882 -3.3552 -3.3552 -0.9303 -0.9303 0.0232 0.0232 0.0875 0.0875 0.1300 0.1300 0.2802 0.2802 0.5930 0.5930 1.0494 1.0494 1.1533 1.1533 1.5236 1.5236 1.7104 1.7104 1.9903 1.9903 4.7655 4.7655 5.3886 5.3886 5.5462 5.5462 8.6214 8.6214 9.5148 9.5148 10.0239 10.0239 10.4514 10.4514 k = 0.0000-0.3851 0.3135 ( 8012 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6433 -22.6433 -22.6216 -22.6216 -18.1050 -18.1050 -18.0764 -18.0764 -16.3940 -16.3940 -16.2210 -16.2210 -8.3914 -8.3914 -7.8617 -7.8617 -6.2139 -6.2139 -6.1387 -6.1387 -6.1069 -6.1069 -6.0083 -6.0083 -5.2608 -5.2608 -4.8482 -4.8482 -4.6910 -4.6910 -4.5691 -4.5691 -4.5034 -4.5034 -4.4849 -4.4849 -3.3553 -3.3553 -0.9303 -0.9303 0.0222 0.0222 0.0898 0.0898 0.1331 0.1331 0.2817 0.2817 0.5919 0.5919 1.0479 1.0479 1.1555 1.1555 1.5256 1.5256 1.7071 1.7071 1.9915 1.9915 4.7607 4.7607 5.3923 5.3923 5.5407 5.5407 8.5808 8.5808 9.5457 9.5457 10.0666 10.0666 10.4410 10.4410 k = 0.0000-0.3730 0.3037 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6449 -22.6449 -22.6202 -22.6202 -18.1048 -18.1048 -18.0756 -18.0756 -16.3941 -16.3941 -16.2214 -16.2214 -8.3944 -8.3944 -7.8608 -7.8608 -6.2194 -6.2194 -6.1408 -6.1408 -6.1054 -6.1054 -6.0071 -6.0071 -5.2658 -5.2658 -4.8477 -4.8477 -4.6877 -4.6877 -4.5668 -4.5668 -4.5006 -4.5006 -4.4804 -4.4804 -3.3554 -3.3554 -0.9302 -0.9302 0.0204 0.0204 0.0926 0.0926 0.1369 0.1369 0.2836 0.2836 0.5905 0.5905 1.0465 1.0465 1.1577 1.1577 1.5278 1.5278 1.7036 1.7036 1.9927 1.9927 4.7554 4.7554 5.3961 5.3961 5.5345 5.5345 8.5399 8.5399 9.5752 9.5752 10.1133 10.1133 10.4321 10.4321 k = 0.0000-0.3610 0.2939 ( 8017 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6465 -22.6465 -22.6188 -22.6188 -18.1046 -18.1046 -18.0747 -18.0747 -16.3943 -16.3943 -16.2218 -16.2218 -8.3976 -8.3976 -7.8602 -7.8602 -6.2254 -6.2254 -6.1432 -6.1432 -6.1035 -6.1035 -6.0059 -6.0059 -5.2711 -5.2711 -4.8474 -4.8474 -4.6840 -4.6840 -4.5642 -4.5642 -4.4980 -4.4980 -4.4751 -4.4751 -3.3556 -3.3556 -0.9301 -0.9301 0.0177 0.0177 0.0957 0.0957 0.1417 0.1417 0.2858 0.2858 0.5890 0.5890 1.0452 1.0452 1.1600 1.1600 1.5302 1.5302 1.6999 1.6999 1.9939 1.9939 4.7498 4.7498 5.3997 5.3997 5.5276 5.5276 8.4996 8.4996 9.6024 9.6024 10.1613 10.1613 10.4273 10.4273 k = 0.0000-0.3490 0.2841 ( 8023 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6481 -22.6481 -22.6174 -22.6174 -18.1044 -18.1044 -18.0737 -18.0737 -16.3944 -16.3944 -16.2222 -16.2222 -8.4009 -8.4009 -7.8597 -7.8597 -6.2319 -6.2319 -6.1457 -6.1457 -6.1014 -6.1014 -6.0048 -6.0048 -5.2765 -5.2765 -4.8471 -4.8471 -4.6801 -4.6801 -4.5615 -4.5615 -4.4953 -4.4953 -4.4693 -4.4693 -3.3558 -3.3558 -0.9299 -0.9299 0.0141 0.0141 0.0991 0.0991 0.1471 0.1471 0.2885 0.2885 0.5873 0.5873 1.0443 1.0443 1.1621 1.1621 1.5329 1.5329 1.6962 1.6962 1.9950 1.9950 4.7439 4.7439 5.4029 5.4029 5.5203 5.5203 8.4604 8.4604 9.6269 9.6269 10.2069 10.2069 10.4304 10.4304 k = 0.0000-0.3369 0.2743 ( 8015 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6497 -22.6497 -22.6161 -22.6161 -18.1041 -18.1041 -18.0726 -18.0726 -16.3945 -16.3945 -16.2226 -16.2226 -8.4043 -8.4043 -7.8596 -7.8596 -6.2387 -6.2387 -6.1483 -6.1483 -6.0989 -6.0989 -6.0037 -6.0037 -5.2820 -5.2820 -4.8468 -4.8468 -4.6759 -4.6759 -4.5586 -4.5586 -4.4924 -4.4924 -4.4633 -4.4633 -3.3560 -3.3560 -0.9298 -0.9298 0.0096 0.0096 0.1026 0.1026 0.1533 0.1533 0.2918 0.2918 0.5856 0.5856 1.0437 1.0437 1.1642 1.1642 1.5357 1.5357 1.6925 1.6925 1.9960 1.9960 4.7380 4.7380 5.4053 5.4053 5.5127 5.5127 8.4227 8.4227 9.6480 9.6480 10.2443 10.2443 10.4473 10.4473 k = 0.0000-0.3249 0.2645 ( 8011 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6512 -22.6512 -22.6148 -22.6148 -18.1039 -18.1039 -18.0714 -18.0714 -16.3947 -16.3947 -16.2231 -16.2231 -8.4076 -8.4076 -7.8599 -7.8599 -6.2458 -6.2458 -6.1511 -6.1511 -6.0961 -6.0961 -6.0028 -6.0028 -5.2876 -5.2876 -4.8465 -4.8465 -4.6716 -4.6716 -4.5558 -4.5558 -4.4890 -4.4890 -4.4571 -4.4571 -3.3563 -3.3563 -0.9296 -0.9296 0.0043 0.0043 0.1063 0.1063 0.1601 0.1601 0.2957 0.2957 0.5837 0.5837 1.0434 1.0434 1.1661 1.1661 1.5388 1.5388 1.6890 1.6890 1.9969 1.9969 4.7319 4.7319 5.4065 5.4065 5.5052 5.5052 8.3871 8.3871 9.6649 9.6649 10.2699 10.2699 10.4821 10.4821 k = 0.0000-0.3129 0.2547 ( 8011 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6528 -22.6528 -22.6135 -22.6135 -18.1036 -18.1036 -18.0702 -18.0702 -16.3948 -16.3948 -16.2236 -16.2236 -8.4108 -8.4108 -7.8607 -7.8607 -6.2532 -6.2532 -6.1538 -6.1538 -6.0928 -6.0928 -6.0019 -6.0019 -5.2933 -5.2933 -4.8459 -4.8459 -4.6671 -4.6671 -4.5531 -4.5531 -4.4852 -4.4852 -4.4510 -4.4510 -3.3567 -3.3567 -0.9294 -0.9294 -0.0017 -0.0017 0.1100 0.1100 0.1671 0.1671 0.3003 0.3003 0.5817 0.5817 1.0436 1.0436 1.1679 1.1679 1.5420 1.5420 1.6857 1.6857 1.9975 1.9975 4.7259 4.7259 5.4059 5.4059 5.4982 5.4982 8.3537 8.3537 9.6770 9.6770 10.2862 10.2862 10.5327 10.5327 k = 0.0000-0.3008 0.2449 ( 8014 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6544 -22.6544 -22.6122 -22.6122 -18.1033 -18.1033 -18.0690 -18.0690 -16.3950 -16.3950 -16.2242 -16.2242 -8.4140 -8.4140 -7.8620 -7.8620 -6.2608 -6.2608 -6.1566 -6.1566 -6.0892 -6.0892 -6.0012 -6.0012 -5.2990 -5.2990 -4.8451 -4.8451 -4.6625 -4.6625 -4.5506 -4.5506 -4.4809 -4.4809 -4.4450 -4.4450 -3.3571 -3.3571 -0.9292 -0.9292 -0.0083 -0.0083 0.1137 0.1137 0.1743 0.1743 0.3055 0.3055 0.5795 0.5795 1.0442 1.0442 1.1695 1.1695 1.5452 1.5452 1.6827 1.6827 1.9980 1.9980 4.7200 4.7200 5.4029 5.4029 5.4922 5.4922 8.3226 8.3226 9.6835 9.6835 10.2989 10.2989 10.5934 10.5934 k = 0.0000-0.2888 0.2351 ( 8018 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6559 -22.6559 -22.6110 -22.6110 -18.1029 -18.1029 -18.0676 -18.0676 -16.3952 -16.3952 -16.2248 -16.2248 -8.4169 -8.4169 -7.8639 -7.8639 -6.2687 -6.2687 -6.1594 -6.1594 -6.0850 -6.0850 -6.0005 -6.0005 -5.3048 -5.3048 -4.8440 -4.8440 -4.6579 -4.6579 -4.5483 -4.5483 -4.4762 -4.4762 -4.4392 -4.4392 -3.3575 -3.3575 -0.9289 -0.9289 -0.0156 -0.0156 0.1175 0.1175 0.1815 0.1815 0.3114 0.3114 0.5773 0.5773 1.0453 1.0453 1.1709 1.1709 1.5486 1.5486 1.6801 1.6801 1.9981 1.9981 4.7143 4.7143 5.3971 5.3971 5.4877 5.4877 8.2942 8.2942 9.6839 9.6839 10.3129 10.3129 10.6597 10.6597 k = 0.0000-0.2768 0.2253 ( 8022 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6575 -22.6575 -22.6098 -22.6098 -18.1026 -18.1026 -18.0663 -18.0663 -16.3954 -16.3954 -16.2253 -16.2253 -8.4195 -8.4195 -7.8664 -7.8664 -6.2767 -6.2767 -6.1622 -6.1622 -6.0804 -6.0804 -6.0001 -6.0001 -5.3106 -5.3106 -4.8425 -4.8425 -4.6533 -4.6533 -4.5460 -4.5460 -4.4713 -4.4713 -4.4337 -4.4337 -3.3580 -3.3580 -0.9287 -0.9287 -0.0232 -0.0232 0.1213 0.1213 0.1884 0.1884 0.3180 0.3180 0.5750 0.5750 1.0469 1.0469 1.1721 1.1721 1.5520 1.5520 1.6781 1.6781 1.9980 1.9980 4.7088 4.7088 5.3883 5.3883 5.4848 5.4848 8.2685 8.2685 9.6783 9.6783 10.3306 10.3306 10.7285 10.7285 k = 0.0000-0.2647 0.2155 ( 8028 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6590 -22.6590 -22.6086 -22.6086 -18.1022 -18.1022 -18.0650 -18.0650 -16.3956 -16.3956 -16.2259 -16.2259 -8.4220 -8.4220 -7.8695 -7.8695 -6.2848 -6.2848 -6.1649 -6.1649 -6.0752 -6.0752 -5.9997 -5.9997 -5.3166 -5.3166 -4.8404 -4.8404 -4.6487 -4.6487 -4.5438 -4.5438 -4.4663 -4.4663 -4.4285 -4.4285 -3.3586 -3.3586 -0.9283 -0.9283 -0.0313 -0.0313 0.1251 0.1251 0.1951 0.1951 0.3252 0.3252 0.5727 0.5727 1.0490 1.0490 1.1732 1.1732 1.5554 1.5554 1.6767 1.6767 1.9976 1.9976 4.7036 4.7036 5.3767 5.3767 5.4832 5.4832 8.2455 8.2455 9.6669 9.6669 10.3530 10.3530 10.7978 10.7978 k = 0.0000-0.2527 0.2057 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6604 -22.6604 -22.6074 -22.6074 -18.1018 -18.1018 -18.0636 -18.0636 -16.3957 -16.3957 -16.2265 -16.2265 -8.4241 -8.4241 -7.8732 -7.8732 -6.2931 -6.2931 -6.1675 -6.1675 -6.0696 -6.0696 -5.9994 -5.9994 -5.3226 -5.3226 -4.8377 -4.8377 -4.6443 -4.6443 -4.5417 -4.5417 -4.4613 -4.4613 -4.4236 -4.4236 -3.3593 -3.3593 -0.9280 -0.9280 -0.0397 -0.0397 0.1288 0.1288 0.2014 0.2014 0.3328 0.3328 0.5703 0.5703 1.0516 1.0516 1.1742 1.1742 1.5588 1.5588 1.6759 1.6759 1.9970 1.9970 4.6988 4.6988 5.3627 5.3627 5.4826 5.4826 8.2253 8.2253 9.6503 9.6503 10.3805 10.3805 10.8657 10.8657 k = 0.0000-0.2407 0.1959 ( 8039 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6619 -22.6619 -22.6063 -22.6063 -18.1014 -18.1014 -18.0622 -18.0622 -16.3959 -16.3959 -16.2271 -16.2271 -8.4259 -8.4259 -7.8776 -7.8776 -6.3014 -6.3014 -6.1700 -6.1700 -6.0635 -6.0635 -5.9991 -5.9991 -5.3289 -5.3289 -4.8345 -4.8345 -4.6399 -4.6399 -4.5395 -4.5395 -4.4564 -4.4564 -4.4191 -4.4191 -3.3600 -3.3600 -0.9277 -0.9277 -0.0482 -0.0482 0.1325 0.1325 0.2074 0.2074 0.3407 0.3407 0.5680 0.5680 1.0547 1.0547 1.1750 1.1750 1.5622 1.5622 1.6759 1.6759 1.9961 1.9961 4.6944 4.6944 5.3468 5.3468 5.4827 5.4827 8.2078 8.2078 9.6294 9.6294 10.4125 10.4125 10.9303 10.9303 k = 0.0000-0.2286 0.1861 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6633 -22.6633 -22.6053 -22.6053 -18.1010 -18.1010 -18.0609 -18.0609 -16.3961 -16.3961 -16.2277 -16.2277 -8.4273 -8.4273 -7.8825 -7.8825 -6.3097 -6.3097 -6.1724 -6.1724 -6.0569 -6.0569 -5.9988 -5.9988 -5.3353 -5.3353 -4.8306 -4.8306 -4.6356 -4.6356 -4.5374 -4.5374 -4.4518 -4.4518 -4.4149 -4.4149 -3.3607 -3.3607 -0.9273 -0.9273 -0.0570 -0.0570 0.1362 0.1362 0.2131 0.2131 0.3486 0.3486 0.5657 0.5657 1.0582 1.0582 1.1757 1.1757 1.5654 1.5654 1.6767 1.6767 1.9950 1.9950 4.6904 4.6904 5.3292 5.3292 5.4830 5.4830 8.1931 8.1931 9.6050 9.6050 10.4485 10.4485 10.9893 10.9893 k = 0.0000-0.2166 0.1763 ( 8035 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6647 -22.6647 -22.6042 -22.6042 -18.1005 -18.1005 -18.0595 -18.0595 -16.3963 -16.3963 -16.2283 -16.2283 -8.4284 -8.4284 -7.8880 -7.8880 -6.3180 -6.3180 -6.1747 -6.1747 -6.0501 -6.0501 -5.9983 -5.9983 -5.3420 -5.3420 -4.8260 -4.8260 -4.6315 -4.6315 -4.5352 -4.5352 -4.4475 -4.4475 -4.4111 -4.4111 -3.3615 -3.3615 -0.9269 -0.9269 -0.0658 -0.0658 0.1398 0.1398 0.2185 0.2185 0.3564 0.3564 0.5635 0.5635 1.0622 1.0622 1.1763 1.1763 1.5686 1.5686 1.6782 1.6782 1.9936 1.9936 4.6868 4.6868 5.3104 5.3104 5.4835 5.4835 8.1810 8.1810 9.5779 9.5779 10.4879 10.4879 11.0400 11.0400 k = 0.0000-0.2046 0.1666 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6660 -22.6660 -22.6032 -22.6032 -18.1001 -18.1001 -18.0582 -18.0582 -16.3965 -16.3965 -16.2289 -16.2289 -8.4291 -8.4291 -7.8940 -7.8940 -6.3262 -6.3262 -6.1768 -6.1768 -6.0431 -6.0431 -5.9976 -5.9976 -5.3489 -5.3489 -4.8208 -4.8208 -4.6275 -4.6275 -4.5331 -4.5331 -4.4436 -4.4436 -4.4077 -4.4077 -3.3623 -3.3623 -0.9265 -0.9265 -0.0746 -0.0746 0.1432 0.1432 0.2237 0.2237 0.3638 0.3638 0.5613 0.5613 1.0666 1.0666 1.1768 1.1768 1.5715 1.5715 1.6806 1.6806 1.9919 1.9919 4.6837 4.6837 5.2905 5.2905 5.4839 5.4839 8.1714 8.1714 9.5490 9.5490 10.5299 10.5299 11.0794 11.0794 k = 0.0000-0.1925 0.1568 ( 8044 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6673 -22.6673 -22.6023 -22.6023 -18.0997 -18.0997 -18.0569 -18.0569 -16.3967 -16.3967 -16.2295 -16.2295 -8.4295 -8.4295 -7.9005 -7.9005 -6.3342 -6.3342 -6.1789 -6.1789 -6.0364 -6.0364 -5.9963 -5.9963 -5.3560 -5.3560 -4.8149 -4.8149 -4.6235 -4.6235 -4.5311 -4.5311 -4.4401 -4.4401 -4.4047 -4.4047 -3.3632 -3.3632 -0.9260 -0.9260 -0.0833 -0.0833 0.1466 0.1466 0.2289 0.2289 0.3707 0.3707 0.5594 0.5594 1.0714 1.0714 1.1772 1.1772 1.5743 1.5743 1.6838 1.6838 1.9901 1.9901 4.6810 4.6810 5.2700 5.2700 5.4842 5.4842 8.1642 8.1642 9.5188 9.5188 10.5739 10.5739 11.1059 11.1059 k = 0.0000-0.1805 0.1470 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6685 -22.6685 -22.6013 -22.6013 -18.0993 -18.0993 -18.0556 -18.0556 -16.3969 -16.3969 -16.2301 -16.2301 -8.4295 -8.4295 -7.9073 -7.9073 -6.3420 -6.3420 -6.1808 -6.1808 -6.0302 -6.0302 -5.9940 -5.9940 -5.3634 -5.3634 -4.8083 -4.8083 -4.6196 -4.6196 -4.5293 -4.5293 -4.4370 -4.4370 -4.4020 -4.4020 -3.3640 -3.3640 -0.9255 -0.9255 -0.0919 -0.0919 0.1497 0.1497 0.2340 0.2340 0.3769 0.3769 0.5576 0.5576 1.0765 1.0765 1.1775 1.1775 1.5769 1.5769 1.6878 1.6878 1.9882 1.9882 4.6788 4.6788 5.2489 5.2489 5.4842 5.4842 8.1592 8.1592 9.4881 9.4881 10.6193 10.6193 11.1197 11.1197 k = 0.0000-0.1685 0.1372 ( 8043 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6697 -22.6697 -22.6005 -22.6005 -18.0989 -18.0989 -18.0543 -18.0543 -16.3971 -16.3971 -16.2307 -16.2307 -8.4292 -8.4292 -7.9143 -7.9143 -6.3497 -6.3497 -6.1826 -6.1826 -6.0253 -6.0253 -5.9903 -5.9903 -5.3710 -5.3710 -4.8013 -4.8013 -4.6159 -4.6159 -4.5278 -4.5278 -4.4343 -4.4343 -4.3996 -4.3996 -3.3649 -3.3649 -0.9251 -0.9251 -0.1004 -0.1004 0.1527 0.1527 0.2392 0.2392 0.3821 0.3821 0.5559 0.5559 1.0819 1.0819 1.1777 1.1777 1.5792 1.5792 1.6925 1.6925 1.9861 1.9861 4.6771 4.6771 5.2275 5.2275 5.4841 5.4841 8.1563 8.1563 9.4572 9.4572 10.6654 10.6654 11.1233 11.1233 k = 0.0000-0.1564 0.1274 ( 8042 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6708 -22.6708 -22.5997 -22.5997 -18.0985 -18.0985 -18.0532 -18.0532 -16.3973 -16.3973 -16.2312 -16.2312 -8.4286 -8.4286 -7.9216 -7.9216 -6.3570 -6.3570 -6.1843 -6.1843 -6.0218 -6.0218 -5.9848 -5.9848 -5.3787 -5.3787 -4.7937 -4.7937 -4.6121 -4.6121 -4.5266 -4.5266 -4.4320 -4.4320 -4.3975 -4.3975 -3.3658 -3.3658 -0.9246 -0.9246 -0.1085 -0.1085 0.1555 0.1555 0.2445 0.2445 0.3863 0.3863 0.5545 0.5545 1.0875 1.0875 1.1778 1.1778 1.5814 1.5814 1.6979 1.6979 1.9839 1.9839 4.6758 4.6758 5.2060 5.2060 5.4838 5.4838 8.1551 8.1551 9.4266 9.4266 10.7119 10.7119 11.1199 11.1199 k = 0.0000-0.1444 0.1176 ( 8050 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6718 -22.6718 -22.5989 -22.5989 -18.0981 -18.0981 -18.0521 -18.0521 -16.3975 -16.3975 -16.2317 -16.2317 -8.4278 -8.4278 -7.9290 -7.9290 -6.3640 -6.3640 -6.1858 -6.1858 -6.0198 -6.0198 -5.9778 -5.9778 -5.3866 -5.3866 -4.7857 -4.7857 -4.6085 -4.6085 -4.5258 -4.5258 -4.4302 -4.4302 -4.3957 -4.3957 -3.3667 -3.3667 -0.9241 -0.9241 -0.1163 -0.1163 0.1580 0.1580 0.2498 0.2498 0.3895 0.3895 0.5534 0.5534 1.0932 1.0932 1.1777 1.1777 1.5832 1.5832 1.7038 1.7038 1.9817 1.9817 4.6750 4.6750 5.1847 5.1847 5.4834 5.4834 8.1556 8.1556 9.3967 9.3967 10.7581 10.7581 11.1122 11.1122 k = 0.0000-0.1324 0.1078 ( 8052 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6728 -22.6728 -22.5982 -22.5982 -18.0978 -18.0978 -18.0510 -18.0510 -16.3976 -16.3976 -16.2322 -16.2322 -8.4267 -8.4267 -7.9363 -7.9363 -6.3706 -6.3706 -6.1872 -6.1872 -6.0188 -6.0188 -5.9697 -5.9697 -5.3946 -5.3946 -4.7774 -4.7774 -4.6049 -4.6049 -4.5254 -4.5254 -4.4287 -4.4287 -4.3942 -4.3942 -3.3676 -3.3676 -0.9236 -0.9236 -0.1238 -0.1238 0.1603 0.1603 0.2553 0.2553 0.3917 0.3917 0.5524 0.5524 1.0992 1.0992 1.1775 1.1775 1.5848 1.5848 1.7102 1.7102 1.9794 1.9794 4.6746 4.6746 5.1638 5.1638 5.4828 5.4828 8.1574 8.1574 9.3679 9.3679 10.8035 10.8035 11.1020 11.1020 k = 0.0000-0.1203 0.0980 ( 8049 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6737 -22.6737 -22.5975 -22.5975 -18.0974 -18.0974 -18.0500 -18.0500 -16.3978 -16.3978 -16.2326 -16.2326 -8.4254 -8.4254 -7.9436 -7.9436 -6.3768 -6.3768 -6.1885 -6.1885 -6.0185 -6.0185 -5.9610 -5.9610 -5.4025 -5.4025 -4.7688 -4.7688 -4.6014 -4.6014 -4.5256 -4.5256 -4.4275 -4.4275 -4.3928 -4.3928 -3.3684 -3.3684 -0.9232 -0.9232 -0.1308 -0.1308 0.1624 0.1624 0.2610 0.2610 0.3927 0.3927 0.5517 0.5517 1.1051 1.1051 1.1772 1.1772 1.5862 1.5862 1.7168 1.7168 1.9771 1.9771 4.6745 4.6745 5.1435 5.1435 5.4820 5.4820 8.1603 8.1603 9.3403 9.3403 10.8478 10.8478 11.0908 11.0908 k = 0.0000-0.1083 0.0882 ( 8046 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6745 -22.6745 -22.5969 -22.5969 -18.0971 -18.0971 -18.0491 -18.0491 -16.3979 -16.3979 -16.2331 -16.2331 -8.4239 -8.4239 -7.9506 -7.9506 -6.3826 -6.3826 -6.1897 -6.1897 -6.0186 -6.0186 -5.9521 -5.9521 -5.4103 -5.4103 -4.7603 -4.7603 -4.5980 -4.5980 -4.5263 -4.5263 -4.4267 -4.4267 -4.3917 -4.3917 -3.3692 -3.3692 -0.9227 -0.9227 -0.1373 -0.1373 0.1642 0.1642 0.2668 0.2668 0.3928 0.3928 0.5512 0.5512 1.1111 1.1111 1.1767 1.1767 1.5874 1.5874 1.7236 1.7236 1.9749 1.9749 4.6748 4.6748 5.1242 5.1242 5.4812 5.4812 8.1640 8.1640 9.3144 9.3144 10.8905 10.8905 11.0794 11.0794 k = 0.0000-0.0963 0.0784 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6753 -22.6753 -22.5964 -22.5964 -18.0968 -18.0968 -18.0482 -18.0482 -16.3981 -16.3981 -16.2334 -16.2334 -8.4224 -8.4224 -7.9572 -7.9572 -6.3878 -6.3878 -6.1907 -6.1907 -6.0189 -6.0189 -5.9432 -5.9432 -5.4178 -5.4178 -4.7518 -4.7518 -4.5947 -4.5947 -4.5275 -4.5275 -4.4261 -4.4261 -4.3907 -4.3907 -3.3699 -3.3699 -0.9223 -0.9223 -0.1432 -0.1432 0.1657 0.1657 0.2726 0.2726 0.3919 0.3919 0.5508 0.5508 1.1170 1.1170 1.1759 1.1759 1.5883 1.5883 1.7303 1.7303 1.9728 1.9728 4.6754 4.6754 5.1059 5.1059 5.4803 5.4803 8.1683 8.1683 9.2904 9.2904 10.9311 10.9311 11.0684 11.0684 k = 0.0000-0.0842 0.0686 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6759 -22.6759 -22.5959 -22.5959 -18.0965 -18.0965 -18.0475 -18.0475 -16.3982 -16.3982 -16.2338 -16.2338 -8.4209 -8.4209 -7.9634 -7.9634 -6.3925 -6.3925 -6.1916 -6.1916 -6.0194 -6.0194 -5.9348 -5.9348 -5.4249 -5.4249 -4.7435 -4.7435 -4.5915 -4.5915 -4.5291 -4.5291 -4.4256 -4.4256 -4.3898 -4.3898 -3.3706 -3.3706 -0.9219 -0.9219 -0.1486 -0.1486 0.1671 0.1671 0.2784 0.2784 0.3903 0.3903 0.5506 0.5506 1.1228 1.1228 1.1750 1.1750 1.5891 1.5891 1.7368 1.7368 1.9708 1.9708 4.6762 4.6762 5.0890 5.0890 5.4795 5.4795 8.1730 8.1730 9.2685 9.2685 10.9692 10.9692 11.0582 11.0582 k = 0.0000-0.0722 0.0588 ( 8033 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6765 -22.6765 -22.5955 -22.5955 -18.0963 -18.0963 -18.0468 -18.0468 -16.3983 -16.3983 -16.2341 -16.2341 -8.4195 -8.4195 -7.9691 -7.9691 -6.3966 -6.3966 -6.1924 -6.1924 -6.0199 -6.0199 -5.9269 -5.9269 -5.4315 -5.4315 -4.7357 -4.7357 -4.5886 -4.5886 -4.5311 -4.5311 -4.4254 -4.4254 -4.3891 -4.3891 -3.3712 -3.3712 -0.9216 -0.9216 -0.1533 -0.1533 0.1682 0.1682 0.2841 0.2841 0.3881 0.3881 0.5505 0.5505 1.1284 1.1284 1.1738 1.1738 1.5896 1.5896 1.7428 1.7428 1.9690 1.9690 4.6771 4.6771 5.0738 5.0738 5.4786 5.4786 8.1776 8.1776 9.2489 9.2489 11.0043 11.0043 11.0490 11.0490 k = 0.0000-0.0602 0.0490 ( 8030 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6770 -22.6770 -22.5951 -22.5951 -18.0961 -18.0961 -18.0463 -18.0463 -16.3984 -16.3984 -16.2343 -16.2343 -8.4181 -8.4181 -7.9741 -7.9741 -6.4002 -6.4002 -6.1931 -6.1931 -6.0203 -6.0203 -5.9198 -5.9198 -5.4374 -5.4374 -4.7285 -4.7285 -4.5859 -4.5859 -4.5334 -4.5334 -4.4253 -4.4253 -4.3884 -4.3884 -3.3717 -3.3717 -0.9213 -0.9213 -0.1574 -0.1574 0.1691 0.1691 0.2896 0.2896 0.3855 0.3855 0.5504 0.5504 1.1338 1.1338 1.1723 1.1723 1.5900 1.5900 1.7483 1.7483 1.9673 1.9673 4.6781 4.6781 5.0604 5.0604 5.4778 5.4778 8.1821 8.1821 9.2320 9.2320 11.0353 11.0353 11.0417 11.0417 k = 0.0000-0.0481 0.0392 ( 8036 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6774 -22.6774 -22.5948 -22.5948 -18.0959 -18.0959 -18.0458 -18.0458 -16.3984 -16.3984 -16.2346 -16.2346 -8.4169 -8.4169 -7.9783 -7.9783 -6.4031 -6.4031 -6.1936 -6.1936 -6.0208 -6.0208 -5.9137 -5.9137 -5.4425 -5.4425 -4.7222 -4.7222 -4.5835 -4.5835 -4.5357 -4.5357 -4.4253 -4.4253 -4.3879 -4.3879 -3.3722 -3.3722 -0.9210 -0.9210 -0.1608 -0.1608 0.1699 0.1699 0.2946 0.2946 0.3826 0.3826 0.5504 0.5504 1.1388 1.1388 1.1706 1.1706 1.5903 1.5903 1.7531 1.7531 1.9659 1.9659 4.6791 4.6791 5.0490 5.0490 5.4772 5.4772 8.1861 8.1861 9.2178 9.2178 11.0341 11.0341 11.0639 11.0639 k = 0.0000-0.0361 0.0294 ( 8038 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6778 -22.6778 -22.5946 -22.5946 -18.0958 -18.0958 -18.0454 -18.0454 -16.3985 -16.3985 -16.2347 -16.2347 -8.4159 -8.4159 -7.9816 -7.9816 -6.4054 -6.4054 -6.1940 -6.1940 -6.0211 -6.0211 -5.9088 -5.9088 -5.4466 -5.4466 -4.7171 -4.7171 -4.5815 -4.5815 -4.5379 -4.5379 -4.4253 -4.4253 -4.3875 -4.3875 -3.3726 -3.3726 -0.9208 -0.9208 -0.1635 -0.1635 0.1704 0.1704 0.2990 0.2990 0.3799 0.3799 0.5504 0.5504 1.1433 1.1433 1.1687 1.1687 1.5905 1.5905 1.7569 1.7569 1.9648 1.9648 4.6799 4.6799 5.0400 5.0400 5.4766 5.4766 8.1894 8.1894 9.2065 9.2065 11.0289 11.0289 11.0866 11.0866 k = 0.0000-0.0241 0.0196 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6780 -22.6780 -22.5944 -22.5944 -18.0957 -18.0957 -18.0452 -18.0452 -16.3986 -16.3986 -16.2348 -16.2348 -8.4151 -8.4151 -7.9841 -7.9841 -6.4071 -6.4071 -6.1943 -6.1943 -6.0214 -6.0214 -5.9051 -5.9051 -5.4497 -5.4497 -4.7132 -4.7132 -4.5800 -4.5800 -4.5397 -4.5397 -4.4254 -4.4254 -4.3872 -4.3872 -3.3728 -3.3728 -0.9207 -0.9207 -0.1654 -0.1654 0.1708 0.1708 0.3025 0.3025 0.3776 0.3776 0.5505 0.5505 1.1472 1.1472 1.1667 1.1667 1.5906 1.5906 1.7598 1.7598 1.9640 1.9640 4.6806 4.6806 5.0334 5.0334 5.4762 5.4762 8.1920 8.1920 9.1984 9.1984 11.0251 11.0251 11.1037 11.1037 k = 0.0000-0.0120 0.0098 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6781 -22.6781 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4147 -8.4147 -7.9856 -7.9856 -6.4081 -6.4081 -6.1945 -6.1945 -6.0216 -6.0216 -5.9029 -5.9029 -5.4516 -5.4516 -4.7107 -4.7107 -4.5790 -4.5790 -4.5409 -4.5409 -4.4254 -4.4254 -4.3870 -4.3870 -3.3730 -3.3730 -0.9206 -0.9206 -0.1665 -0.1665 0.1710 0.1710 0.3048 0.3048 0.3761 0.3761 0.5505 0.5505 1.1501 1.1501 1.1649 1.1649 1.5907 1.5907 1.7615 1.7615 1.9635 1.9635 4.6811 4.6811 5.0294 5.0294 5.4759 5.4759 8.1935 8.1935 9.1935 9.1935 11.0229 11.0229 11.1145 11.1145 k = 0.0000 0.0000 0.0000 ( 8041 PWs) bands (ev): -81.4651 -81.4651 -50.3290 -50.3290 -46.1304 -46.1304 -45.4799 -45.4799 -22.6782 -22.6782 -22.5943 -22.5943 -18.0956 -18.0956 -18.0450 -18.0450 -16.3986 -16.3986 -16.2349 -16.2349 -8.4145 -8.4145 -7.9861 -7.9861 -6.4084 -6.4084 -6.1946 -6.1946 -6.0217 -6.0217 -5.9021 -5.9021 -5.4522 -5.4522 -4.7099 -4.7099 -4.5787 -4.5787 -4.5413 -4.5413 -4.4255 -4.4255 -4.3869 -4.3869 -3.3730 -3.3730 -0.9205 -0.9205 -0.1669 -0.1669 0.1711 0.1711 0.3056 0.3056 0.3755 0.3755 0.5505 0.5505 1.1513 1.1513 1.1642 1.1642 1.5907 1.5907 1.7621 1.7621 1.9633 1.9633 4.6812 4.6812 5.0280 5.0280 5.4758 5.4758 8.1941 8.1941 9.1918 9.1918 11.0221 11.0221 11.1181 11.1181 Writing output data file H6PdxNOx4.save init_run : 0.72s CPU 0.89s WALL ( 1 calls) electrons : 320.08s CPU 324.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 320.07s CPU 323.98s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 263 calls) cegterg : 295.95s CPU 298.99s WALL ( 303 calls) Called by sum_band: Called by *egterg: h_psi : 154.91s CPU 156.59s WALL ( 5617 calls) s_psi : 7.29s CPU 7.48s WALL ( 5617 calls) g_psi : 0.64s CPU 0.55s WALL ( 5051 calls) cdiaghg : 105.60s CPU 106.94s WALL ( 5314 calls) cegterg:over : 18.06s CPU 18.04s WALL ( 5051 calls) cegterg:upda : 15.73s CPU 15.70s WALL ( 5051 calls) cegterg:last : 7.42s CPU 7.44s WALL ( 829 calls) cdiaghg:chol : 6.21s CPU 6.36s WALL ( 5314 calls) cdiaghg:inve : 4.95s CPU 4.81s WALL ( 5314 calls) cdiaghg:para : 8.44s CPU 8.68s WALL ( 10628 calls) Called by h_psi: h_psi:vloc : 136.21s CPU 137.84s WALL ( 5617 calls) h_psi:vnl : 18.13s CPU 18.15s WALL ( 5617 calls) add_vuspsi : 8.56s CPU 8.45s WALL ( 5617 calls) General routines calbec : 9.54s CPU 9.68s WALL ( 5617 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.92s CPU 125.25s WALL ( 955448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.46s WALL ( 526 calls) Parallel routines fft_scatter : 43.28s CPU 44.70s WALL ( 955471 calls) PWSCF : 5m49.11s CPU 6m 6.48s WALL This run was terminated on: 19:23:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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